[H]
name=Hydrogen
gen=H Gv1000  10113598  7542121021021023002592 717612844    0    0436021600  117   90  1401  20282882422956 7411359   0   0!   37  0  0 25   0 780 90 1
sprads=11140 78-381 10 02 1-240 -30 2 -40-180
orbs=.0 -1 0.530 0
isot=1 2 -3
ki=0.0 2.376
spec=13.61
spk=85.13 1.645 10.152 0.0 61.54 1.294 19.354 0.0
gkr=85.13 1.645 12.27 0.0 109.412 3.74 11.68 0.0
bnd=(8)960 4276 5000
val=0.87
ox=1.43 0 0.79
vdw=120
hcov=74

[He]
name=Helium
gen=HeGU2000  40024587 -22032320320320415732001298023220    0    0   0    0   21    8    95   422207861961012502342   0   0"!# 50  0  0 29   01220180 0
sprads=001800
orbs=.0 -1 0.291 0
isot=3 4
ki=1.878
spec=24.59
vdw=140

[Li]
name=Lithium
gen=Li! 1000  694 5392  61810 97 96 90 912 860 3005 4774 1850 3380102915780 293014800 453691615002477013094 442 550   05984!" 134123  014512251562258 1
sprads=10156 591 10 03 4 730 590 6 900 760 81060 920
orbs=.186 -1 1.586 0
isot=6 7
ki=0.706 14.764 69.673
spec=5.392
val=1.466
ox=1.91 0 0.64
vdw=182
hcov=159

[Be]
name=Beryllium
gen=Be!f2000  901 9322-25001514715112715761810 6390 7060 2910 6100282832030150003090015510032430016440 49133302 818   09999!" 125  0  0105 8891128193 2
sprads=20113 65 171 20 03 3 300 160 4 410 270 6 590 450
orbs=.138 -1 1.040 0
isot=9
ki=5.203 13.724
spec=9.323
val=1.378
ox=1.93 0 0.6
vdw=200
hcov=134

[B]
name=Bore
gen=B $'2100 1081 8298  277202012001672051227510370 9560 4360 8330320955764236005045025730028230011090 47185003 6661257   0$%  90 71 64 85 800 980170 3
sprads=33122106100 95 58 40  21 30 03 3 150  10 4 250 110 6 410 270
orbs=.110 -1 0.769 0 0.776 1
isot=10 11
ki=6.299 12.556 31.529
spec=12.13
gkr=175.66 1.213 73.955
val=1.371
ox=1.66 0 0.65
vdw=200
hcov=119

[C]
name=Carbon
gen=C &"2200 120111260 126325250250209254427461498012300 587011090357371120    071500390500510000 8527 5030 112 8981754   0&'  77 67 60 70   0 916160 0
sprads=44177157138110 86 79 60 55 -81 40 03 3  60 -80 4 290 150 6 300 160
orbs=.091 -1 0.620 0 0.596 1
isot=12 13 14
ki=6.388 10.93 20.83
spec=15.05
spk=299.54 1.499 53.371
gkr=608.065 3.60 49.39
val=1.39 0.0000001
ox=1.25 0 1
vdw=170
hcov=108

[N]
name=Nitrogen
gen=N G#2300 140114534    030307300261306631942068013640 732013000397147084  720  558  6329  77402912513727 50011492307   0#(  75 62 55 65   0 880145 0
sprads=53148129110 80 59 37 16 15-123-31 61 413201460 30 21 6 300 160 50 02 3  44-104 6 270 130
orbs=.078 -1 0.521 0 0.4875 1
isot=14 15
ki=6.138 9.565 17.665
spec=18.13
spk=471.87 1.775 39.787
gkr=504.509 3.78 37.13
val=1.43 0.09
vdw=155
hcov=98

[O]
name=Oxygen
gen=O Gg2400 160013618 146135350350313361036542719016200 963015330435124679  444  682  5480  90192935510520175014162917   0)+, 73 62  0 60   0 890135-2
sprads=02121 93 661-21 65 212101350 312201360 412401380 612601400 812801420
orbs=.068 -1 0.450 0 0.4135 1
isot=16 17 18
ki=5.802 8.846 14.845
spec=21.36
gkr=504.3 1.899 31.921
spk=479.650 3.96 33.52
bnd=(14)1620 7996 7675
val=1.43 0.00000001
vdw=152
hcov=97

[F]
name=Fluorine
gen=F GT2500 190017422 339940410400  041934000339101923012020175724732 7690  510  654  5353  850131300 9726 80217013585   0*,  72  0  0 50   0   0127-1
sprads=01115 642-11 64 211451285 311601300 411701310 611901330 70 01 6 220  80
orbs=.060 -1 0.396 0 0.3595 1
isot=19
ki=5.604 8.11 12.638
spec=24.80
gkr=603.096 4.16 29.05
spk=579.77 2.064 24.548
val=1.43 -0.11
vdw=147
hcov=92

[Ne]
name=Neon
gen=NeGU2600 201821564 -300515105105104787510037770214201256018080   0    0  320  174  2418  27102078613460150320014310   0#   65  0  0  0   0   0160 0
sprads=001600
orbs=.054 -1 0.354 0 0.3175 1
isot=20 21 22
ki=5.352 7.429
spec=28.31
val=1.43
vdw=154

[Na]
name=Sodium
gen=Na" 1000 2299 5139  548 9101105 96 869 850 2844 4591 1640 2780686010757 2640 9900 370961156002824023932 450 51436316426!" 154  0  018015721911293 1
sprads=10191 971 10 07 41130 990 511401000 611601020 712601120 813201180 9138012401215301390
orbs=.278 -1 1.713 0
isot=23
ki=5.078 21.5 78.271
spec=5.14
val=1.802
ox=1.65 0 1
vdw=227
gkr=16.54 0.1642 1.966
hcov=189

[Mg]
name=Magnesium
gen=Mg!f2000 2431 7646-24001212312911612931318 5840 6230 2370 4300177014650 890012740 9220013800024890140823150 68756388915!  145  0  015013641602228 2
sprads=20160104 491 20 04 4 710 570 5 800 660 6 860 720 81030 890
orbs=.247 -1 1.279 0
isot=24 25 26
ki=11.208 23.451
spec=7.646
val=1.693
ox=1.92 7.3 0.60
vdw=173
gkr= 1017.1713 2.0032
hcov=173

[Al]
name=Aluminium
gen=Al#l2100 2698 5986  4411514715213816131714 8870 7690 3990 53302017324011050029080 9535227400024350100611750 4871013   0#  130  0  012512481432205 3
sprads=30143108 73 391 30 03 4 530 390 5 620 480 6 675 535
orbs=.221 -1 1.044 0 1.312 1
isot=27
ki=13.822 26.518 58.777
spec=9.539
gkr=166.9 1.067 163.179 254.5792 1.5058 0.0 126.03 1.26 0.0
val=1.651
ox=1.86 8.3 0.59
vdw=200
hcov=165

[Si]
name=Silicium
gen=Si'?2200 2809 8152 1385181741841541916213811900 9600 5760 6310226445129506003830016830026280020000121321551 6531357   0'  11810710011011731319195 4
sprads=44272228184141134129125117 261 40 02 4 400 260 6 540 400
orbs=.201 -1 0.904 0 1.068 1
isot=28 29 30
ki=16.042 25.559 43.165
spec=11.33
gkr=315.18 1.233 126.999
val=1.624
ox=1.67 10 0.68
vdw=210
hcov=148

[P]
name=Phosphorus
gen=P -a2300 309710486  74721206211179225325151437011620 5670 8830251031400 2510 5190 31730 5530023840115091202 8351713   0-  110100 9410011001280180 5
sprads=53217120159130101 73 44 40 172 30 21 6 580 440 50 03 4 310 170 5 430 290 6 520 380
orbs=.184 -1 0.803 0 0.9175 1
isot=31
ki=16.605 23.985 38.568
spec=13.33
gkr=546.95 1.431 100.690
val=1.617 0.3
ox=1.45 0 0.71
vdw=180
hcov=144

[S]
name=Sulfur
gen=S .x2400 320710360 207725244248202258929571702011100 744010120275727660 1670  960 38600 717822264015610 13010292082   0./ 102 94 8710010401270170-2
sprads=62184144104126 87 62 37 34 123-21 61 617001840 40 21 6 510 370 60 02 4 260 120 6 430 290
orbs=.169 -1 0.723 0 0.808 1
isot=32 33 34 36
ki=16.487 23.11 34.049
spec=15.31
gkr=735.43 1.566 88.328
val=1.624 0.49
ox=1.12 0 1
vdw=180
hcov=134

[Cl]
name=Chlorine
gen=ClGy2500 354512967 361730283284  0286934752054012450 935011395300412000 6410 2041 17217 238603390717488100012342466   00   99 89  0100 994   0162-1
sprads=71181162130118105 58 12 16 203-11 61 616701810 50 21 3 260 120 70 02 4 220  80 6 410 270
orbs=.157 -1 0.660 0 0.7235 1
isot=35 37
ki=16.392 21.894 30.335
spec=16.97
gkr=1017.5 1.731 73.355
val=1.632 0.38
vdw=175
hcov=127

[Ar]
name=Argon
gen=ArGU2600 399515759 -36033330330330324235002244013600 983011980   0    0 1210  652  8400  87502078620890100014492866   0#   95  0  0  0   0   0190 0
sprads=001900
orbs=.146 -1 0.607 0 0.657 1
isot=36 38 40
ki=16.034 20.626
spec=19.17
val=1.63
vdw=188

[K]
name=Potassium
gen=K " 1000 3910 4341  501 8 91 90 84 734 740 2421 3839 1620 2210 548 9014 2390 7900 3364010330029580456465002 42023584016"  196  0  022020252376318 1
sprads=102341331 10 07 415101370 615201380 716001460 816501510 91690155010173015901217801640
orbs=.593 -1 2.162 0
isot=39 -40 41
ki=15.472 10.569 126.428
spec=4.34
val=2.126
ox=1.56 0 1
vdw=275
hcov=224

[Ca]
name=Calcium
gen=Ca#f2000 4008 6113-162010104105 981034 946 4480 5250 2110 3710128917774 86001550011120017570025310264392002 54233775273#" 174  0  018017361974253 2
sprads=20197170 991 20 06 411401000 712001060 812601120 91320118010137012301214801340
orbs=.539 -1 1.690 0
isot=40 42 43 44 46 48
ki=24.761 44.833
spec=6.113
val=1.967
ox=1.97 6.8 0.56
vdw=197
hcov=200

[Sc]
name=Scandium
gen=Sc!l2010 4496 6540  1881312012211311501020    0    0 4170 2520131037602157703327118140031040025520151345004 586 7223923!" 144  0  016014391641239 3
sprads=30164136109 731 30 02 6 885 745 81010 870
orbs=.500 -1 1.570 0 0.539 2
isot=45
ki=18.157 42.126 88.196
spec=7.042
val=1.849
ox=1.88 5.4 0.5
vdw=174

[Ti]
name=Titanium
gen=Ti!l2020 4788 6820   791413213612712801295 6775 2306 5514 193413314671418800425001933003560002502010697 552 623 8544457!" 136  0  014013241462230 4
sprads=40145116 86 67 533 22 21 61000 860 32 11 6 810 670 42 04 4 560 420 5 650 510 6 745 605 8 880 740
orbs=.468 -1 1.477 0 0.489 2
isot=46 47 48 49 50
ki=17.646 39.76 86.203
spec=8.170
val=1.814
ox=1.71 3 0.32 4 1.81 0 1 3
vdw=145
pow= 28.275 2.95  -8.816339
gkr= 285.0550 1.4914
 
[V]
name=Vanadium
gen=V "l2030 5094 6740  5251614515214214201620 7219 2120 6082 1848135151095175004597021630036530024890 8377 222 656 9774994"  122  0  013512241346222 5
sprads=50135102 79 64 59 364 22 31 6 930 790 32 21 6 780 640 42 13 5 670 530 6 720 580 8 860 720 50 03 4 495 355 5 600 460 6 680 540
orbs=.439 -1 1.401 0 0.449 2
isot=-50 51
ki=17.147 37.671 82.273
spec=9.062
val=1.804
ox=1.63 0.1 1 3
vdw=135

[Cr]
name=Chromium
gen=Cr"(1050 5200 6766  6661615615414615701730 7640 1996 6334 1798137239451210003420021300029460023350 72748250 587 6525022"  118  0  014011761290215 3
sprads=60127107 73 62 44 35 305 22 42 6 870 730 6 940 800 32 31 6 755 615 42 22 4 550 410 6 690 550 52 13 4 485 345 6 630 490 8 710 570 60 02 4 400 260 6 580 440
orbs=.416 -1 1.453 0 0.4265 2
isot=50 52 53 54
ki=16.496 30.113 78.606
spec=9.768
val=1.794
ox=1.59 3.4 0.36 3
vdw=136

[Mn]
name=Manganese
gen=Mn1(2050 5494 7435    01516017316217401660 8060 1885 6601 1786139327937134002210015170022350026320 74201550 7151205609212#117  0  014011711370209 2
sprads=71106132 88 67 58 54 55 27 266 22 56 4 800 660 5 890 750 6 810 670 6 970 830 71040 900 81100 960 32 43 5 720 580 6 720 580 6 785 645 42 32 4 530 390 6 670 530 52 21 4 470 330 62 11 4 395 255 70 02 4 390 250 6 600 460
orbs=.392 -1 1.278 0 0.3885 2
isot=55
ki=16.32 34.135 73.154
spec=10.340
val=1.79
ox=1.60 3.8 0.45
vdw=130
hcov=173

[Fe]
name=Iron
gen=Fe"(2060 5585 7870  1631816418217017901920 8442 1823 6878 1810141441396138003400018080030230025100 7137  90 74213106655"#"125  0  014011651274202 2
sprads=60127 84 61 49 54 42 304 22 65 4 770 630 4 780 640 6 750 610 6 920 780 81060 920 32 55 4 630 490 5 720 580 6 690 550 6 785 645 8 920 780 42 41 6 725 585 62 21 4 390 250
orbs=.373 -1 1.227 0 0.364 2
isot=54 56 57 58
ki=15.94 32.593 68.894
spec=10.638
val=1.76
ox=1.41 2 0.28 3 1.40 0 0.41 2 
vdw=200

[Co]
name=Cobalt
gen=Co!t2070 5893 7860  6611817019217818201960 8814 1798 7161 1872143542308163003820017680031430024810 6712 922 76814177238!# 126  0  013511621252197 2
sprads=41130126 80 65 52 543 22 75 4 720 580 5 810 670 6 790 650 6 885 745 81040 900 32 62 6 685 545 6 750 610 42 52 4 540 400 6 670 530
orbs=.355 -1 1.181 0 0.343 2
isot=59
ki=15.471 31.221 65.755
spec=10.857
val=1.685
ox=1.34 2.7 0.4 2
vdw=200
gkr= 1002.1209 2.3209
hcov=154

[Ni]
name=Nickel
gen=Ni#A2080 5869 7635 11561817520118718001940 9166 1823 7454 1972145642766172003750017280030030026070 66317000 79315177831#  121  0  013511541246192 2
sprads=40124 68 69 60 563 22 84 4 630 490 4 690 550 5 770 630 6 830 690 32 72 6 700 560 6 740 600 42 61 6 620 480
orbs=.339 -1 1.139 0 0.324 2
isot=58 60 61 62 63
ki=15.133 29.982 38.517
spec=11.128
val=1.794
ox=1.35 3.8 0.44 2
vdw=163
gkr= 9353.9297 3.4134 0.0 162.138 1.39485 0.0
hcov=148

[Cu]
name=Copper
gen=Cu#&10:0 6355 7726 12281917517415217401980 4477 6498 1480 4890147733715130003070013366028400024435 7156 151 69310117767#  138  0  013511731278187 2
sprads=30128 46 62 603 12103 2 600 460 4 740 600 6 910 770 22 93 4 710 570 5 790 650 6 870 730 32 81 6 680 540
orbs=.325 -1 1.191 0 0.311 2
isot=63 65
ki=14.673 26.304 60.104
spec=10.963
val=1.895
ox=1.17 1.95 0.34 2 1.20 2.2 0.32 1 
vdw=140
gkr= 688.9943 2.1407 0.0 127.262 1.17475 0.0
hcov=146

[Zn]
name=Zinc
gen=Zn!l20:0 6539 9394 -9001616617615616002233 7440 7100 2550 4720149813018 728014420 6927311800025400 9219  91 84217129063!  131  0  013512491394183 2
sprads=20139100 601 22104 4 740 600 5 820 680 6 880 740 81040 900
orbs=.311 -1 1.065 0 0.2925 2
isot=64 66 67 68 70
ki=17.901 27.687
spec=9.394
val=2.084
ox=1.54 3.4 0.49
vdw=139
gkr= 479.5461 1.8212
hcov=160

[Ga]
name=Gallium
gen=Ga3l21:0 6972 5999  300161821881631756241910270 8460 4290 5100168627600 559027030 3029326760025860118653003 492114027753  126  0  013012451411230 3
sprads=30140114 88 471 32103 4 610 470 5 690 550 6 760 620
orbs=.298 -1 0.960 0 1.254 1 0.2755 2
isot=69 71
ki=19.998 32.421 66.418
spec=10.39
gkr=685.03 1.425 174.493
val=1.718
ox=1.56 4.4 0.52
vdw=187
hcov=166

[Ge]
name=Germanium
gen=Ge'C22:0 7261 7899 1200182022091721994261812350 9920 5920 6850187437380368003280012106031030023347137166602 63714383932'  122112  012512231369211 4
sprads=44272239206173140106 73 63 402 20 21 6 870 730 42102 4 530 390 6 670 530
orbs=.285 -1 0.886 0 1.090 1 0.2605 2
isot=70 72 73 74 76
ki=22.876 32.946 51.296
spec=11.80
gkr=768.91 1.460 149.915
val=1.748
ox=1.4 5.4 0.5
vdw=200
hcov=153

[As]
name=Arsenic
gen=As4C23:0 7492 9810  81020220220179221128161446010900 5455 834020633014227700 3192109000 886002464013039 902 7931735520145 119111  011512101390205 5
sprads=53211185159150101 52 58 64 332 30 21 6 720 580 52102 4 475 335 6 600 460
orbs=.274 -1 0.826 0 0.9915 1 0.2465 2
isot=75
ki=24.184 35.529 48.524
spec=13.08
gkr=1101.77 1.579 120.788
val=1.76
ox=1.23 0 0.55 3
vdw=185
hcov=152

[Se]
name=Selenium
gen=Se6)24:0 7896 9752 202124248250208242430141694010630 6990 939022512264037700 9000 49000 958002536316527 442 954203465776/ 116107  011511701400200-2
sprads=62198177160139108 79 50 40 293-21 61 618401980 4  21 6 640 500 62102 4 420 280 6 560 420
orbs=.263 -1 0.775 0 0.909 1 0.2345 2
isot=74 76 77 78 80 82
ki=24.73 32.586 45.331
spec=14.34
gkr=1010.76 1.584 112.368
val=1.782 0.6
ox=1.08 0 1 4
vdw=190
hcov=146

[Br]
name=Bromine
gen=BrF;25:0 799011814 336528274276  0268532191994011550 86301022024391179410570 2956 26600 331937568919858  511122233880610  114104  01151400   0195-1
sprads=71196111106 94 82 70 59 49 394-11 61 618201960 31 21 4 730 590 50 21 3 450 310 72102 4 390 250 6 530 390
orbs=.253 -1 0.730 0 0.8425 1 0.2235 2
isot=79 81
ki=25.269 32.095 42.204
spec=15.88
gkr=1331.95 1.699 98.101
val=1.822 0.54
vdw=185
hcov=141

[Kr]
name=Krypton
gen=KrGU26:0 838013999 -40031310310310296631002134012360 893010580   0    0 1480  905 11660 1209020786272643004129526479657!  110  0  0  0   0   0200 0
sprads=002000
orbs=.244 -1 0.691 0 0.787 1 .2135 2
isot=78 80 82 83 86
ki=25.374 31.315
spec=17.54
val=1.94
vdw=202

[Rb]
name=Rubidium
gen=Rb" 1000 8547 4177  486 8 89 88 83 706 700 2332 3691 1530 2130 519 8217 2200 7600 31204 9590031062562002004 39520103554"  211  0  023521602546333 1
sprads=102501471 10 08 616601520 717001560 817501610 9177016301018001660111830169012186017201419701830
orbs=.735 -1 2.287 0
isot=85 -87
ki=54.072
spec=4.177
val=2.267
ox=1.51 0 0
vdw=200
hcov=237

[Sr]
name=Strontium
gen=Sr#f2000 8762 5695-174010 99100 95 963 840 4200 4920 1950 3410102916440 82001580010420016570026400340701751 50127694497#!"192  0  020019142151268 2
sprads=202151631121 20 06 613201180 713501210 814001260 91450131010150013601215801440
orbs=.685 -1 1.836 0
isot=84 86 87 88
ki=60.266
spec=5.695
val=2.117
ox=1.91 5.3 0.57
vdw=200
hcov=215

[Y]
name=Yttrium
gen=Y !l2010 8891 6380  30712111122114   0 980    0    0 3410 3670105042045115003670017950036110026530200176002 554 5563256!" 162  0  018016161801250 3
sprads=30180111130 891 30 04 61040 900 71100 960 811591019 912151075
orbs=.646 -1 1.693 0 0.865 2
isot=89
ki=58.149
spec=6.631
val=2.014
ox=1.90 0 0.52
vdw=200

[Zr]
name=Zirconium
gen=Zr!l2020 9122 6840  42614122137128   01000    0    0 4500 209010756074719200567002125004650002536014106 152 593 7023712!" 148  0  015514541602239 4
sprads=40160142121 89 721 40 06 4 730 590 5 800 660 6 860 720 7 920 780 8 980 840 91030 890
orbs=.613 -1 1.593 0 0.79 2
isot=90 91 92 94 96
ki=55.818
spec=7.808
val=1.928
ox=1.84 0 0.45
vdw=200
gkr= 267.135 1.3011

[Nb]
name=Niobium
gen=Nb"l1040 9291 6880  89316123144136   01230    0    0 3640 367011007228226800680202741005015002460010895 652 547 6093846"  134  0  014513421468231 5
sprads=50148100 71 70 69 323 32 21 6 860 720 42 12 6 820 680 8 930 790 50 04 4 620 480 6 780 640 7 830 690 8 880 740
orbs=.586 -1 1.589 0 0.747 2
isot=93
ki=53.714
spec=8.340
val=1.912
vdw=200

[Mo]
name=Molybdenum
gen=Mo"l1050 9594 7099  74618130155147   01777    0    0 3690 4740112565655280005900028830058330024060 9443 861 567 7164252"  130  0  014512961400224 6
sprads=60140100 92 67 65 63 424 32 31 6 830 690 42 21 6 790 650 52 12 4 600 460 6 750 610 60 04 4 550 410 5 640 500 6 730 590 7 870 730
orbs=.560 -1 1.520 0 0.699 2
isot=92 94 95 96 97 98 100
ki=29.744 51.808
spec=8.707
val=1.907
ox=1.37 3.8 0.37 6 1.41 0 1 4
gkr=685.03 1.425 174.493
vdw=200

[Tc]
name=Technetium
gen=Tc!l2050 9891 7280  55019136165156   01800    0    0 5050 2050113467800238005850024450051500025880 86445804 67811245031!  127  0  013512711360218 6
sprads=70135117100 80 64 60 56 983 42 31 6 785 645 52 21 6 740 600 70 02 4 510 370 6 700 760
orbs=.535 -1 1.391 0 0.645 2
isot=-99
ki=50.176
spec=8.891
val=1.91
vdw=200

[Ru]
name=Ruthenium
gen=Ru!l107010107 7370 105022142176164   01950    0    0 4110 396011426410325500    025830041730024060 82224003 602 9335062!  125  0  013012461339212 3
sprads=80132111 90 68 62 52 37 54 365 32 51 6 820 680 42 41 6 760 620 52 31 6 705 565 72 11 4 520 380 80 01 4 500 360
orbs=.515 -1 1.410 0 0.619 2
isot=96 98 99 100 101 102 104
ki=48.467
spec=8.939
val=1.91
vdw=200

[Rh]
name=Rhodium
gen=Rh#l108010291 7460 113722145182170   02100    0    0 4220 3820115155559216004940022390040000024980 83342704 61710435469#  125  0  013512521345206 3
sprads=51154134 82 75 67 62 553 32 61 6 805 665 42 51 6 740 600 52 41 6 690 550
orbs=.496 -1 1.364 0 0.5865 2
isot=103
ki=46.982
spec=9.258
val=1.810
ox=1.03 0 1 3
vdw=200
gkr= 25003.2824 3.4294

[Pd]
name=Palladium
gen=Pd#l00:010642 8340  55722135185174   02290    0    0 3240 6320115537740176003620018270032430025980 89183003   0 7975454#  128  0  014012831376203 2
sprads=40137 59 64 76 624 12 91 2 730 590 22 82 4 780 640 61000 860 32 71 6 900 760 42 61 6 755 615
orbs=.479 -1 1.325 0 0.564 2
isot=102 104 105 106 108 110
ki=45.590
spec=9.401
val=1.9
ox=1 0 1 2
vdw=163
gkr= 939.8173 1.9759 0.0 86.812 1.1363 0.0

[Ag]
name=Silver
gen=Ag#l209010787 7576 130219142166148   01826 4439 6274 1340 4990115928409111002580012350824850025351103352752 64312656291#  153  0  016013391445198 1
sprads=30144 67 89 653 12107 2 810 670 411401000 411601020 512301090 612901150 713601220 814201280 22 92 4 930 790 61080 940 32 82 4 810 670 6 890 750
orbs=.462 -1 1.286 0 0.533 2
isot=107 109
ki=44.29
spec=11.046
val=2.06
ox=0.85 1.6 1 1
vdw=172
gkr= 743.3532 1.8907 0.0 76.8969 1.0867 0.0
hcov=162

[Cd]
name=Cadmium
gen=Cd!l20:011241 8993 -60017146168152   01978 6990 6850 2250 4970127211205 640010000 5941010380025980130782651 77118287229!  148  0  015514131568194 2
sprads=20157120 841 22106 4 920 780 51010 870 61090 950 711701030 8124011001214501310
orbs=.445 -1 1.184 0 0.505 2
isot=106 108 110 111 112 113 114 116
ki=43.071
spec=8.994
val=2.284
ox=1.37 2.3 0.37 2
vdw=158
gkr= 746.1348 1.7806
hcov=178

[In]
name=Indium
gen=In7l21:011482 5786  3001714917615616561880 9370 7660 3400 6110138524372 326023180 4297623530026740158513001 470101426227  144  0  015514971663245 3
sprads=30166135108 791 32103 4 760 620 6 940 800 81060 920
orbs=.430 -1 1.093 0 1.382 1 0.4805 2
isot=113 -115
ki=48.732
spec=9.793
val=1.902
ox=1.48 2.8 1 
vdw=193
hcov=184

[Sn]
name=Tin
gen=Sn'C22:011871 7344 1200181721891641824245811470 7280 5580 4300149830200 707029600 505122543002699016391 132 59512513437'8 141130  014513991580227 4
sprads=40158125 93 82 692 20 21 812201220 40 05 4 690 550 5 760 620 6 830 690 7 890 750 8 950 810
orbs=.416 -1 1.027 0 1.241 1 0.458 2
isot=112 114 115 116 117 118 119 120 122 124
ki=49.953
spec=10.79
val=1.925
ox=1.44 3.8 0.49 4 1.43 0 1 2
vdw=217
hcov=170

[Sb]
name=Antimony
gen=Sb4C23:012175 8641 107019182198170198424581311010270 5080 74501611262043970016580 903702023002523018301 902 726148342944  138131  014513911590220 5
sprads=63244216188160121 83 76 69 61 752 31 23 2 900 760 5 940 800 6 900 760 50 01 6 740 600
orbs=.402 -1 0.969 0 1.1665 1 0.438 2
isot=121 123
ki=49.97
spec=11.74
val=1.928
ox=1.35 1.8 0.41 3 1.24 0 1 5
vdw=200
hcov=170

[Te]
name=Tellurium
gen=Te6C24:012760 9009 1971212012161912158261814690 9640 6460 84401724197003498010460 722701263002573020584 442 861171351986  135127  014013701600218-2
sprads=62221195170145120 86 52 54 563-21 61 620702210 4  23 3 660 520 4 800 660 61110 970 60 02 4 570 430 6 700 560
orbs=.390 -1 0.92 0 1.087 1 0.420 2
isot=120 122 -123 124 125 126 128 -130
ki=50.518
spec=12.76
val=1.926 0.8
ox=1.19 0 0.45 4
vdw=206
hcov=170

[I]
name=Iodine
gen=I 0t25:01269010451 305922221240  02359277817060 9790 7997 924718371072415520 4195 38670 457505443825873 872 999194561500  133123  0140   0   0215-1
sprads=71220195170154139100 62 56 503-11 61 620602200 5  22 3 580 440 61090 950 70 02 4 560 420 6 670 530
orbs=.378 -1 0.876 0 1.0215 1 0.4035 2
isot=127
ki=50.278
spec=13.95
val=1.955 0.801
vdw=198
hcov=161

[Xe]
name=Xenon
gen=XeGU26:01312912130 -42024240240  0258226001818010430 7960 9210   0    0 3100 1265 16130 1661020786330032004113821777153#  130  0  0  0   0   0220 0
sprads=002200
orbs=.367 -1 0.837 0 0.965 1 0.388 2
isot=124 126 128 129 130 131 132 134 136
ki=44.846
spec=15.27
val=1.95
vdw=216

[Cs]
name=Caesium
gen=Cs" 100013291 3894  472 7 86 86 82   0 690 2183 3422 1480 1960 452 7758 2090 6700 30155 9425032170701682504 35617072883"  225  0  025523502731343 1
sprads=102711671 10 06 618101670 818801740 919201780101950181011199018501220201880
orbs=.922 -1 2.518 0
isot=133
ki=77.533
spec=3.898
val=2.438
ox=1.49 2 1
vdw=200
hcov=249

[Ba]
name=Barium
gen=Ba"f200013733 5212 -540 9 97 98 94   0 790 4180 4610 1810 3260 92918070 780013600 998001913002807038399 442 44622863591"  198  0  021519812243278 2
sprads=202241791341 20 07 614901350 715201380 815601420 916101470101660152011171015701217501610
orbs=.869 -1 2.060 0
isot=130 132 134 135 136 137 138
ki=86.074
spec=5.211
val=2.28
ox=1.86 4.8 0.51
vdw=200
hcov=223

[La]
name=Lanthanum
gen=La9Z201013891 5577  50011108118111   0 890    0    0 3720 2460   043129100004020011940037300027110227408302 487 619   09#"169  0  019516151870274 3
sprads=401871571271061011 30 06 611721032 712401100 813001160 91356121610141012701215001360
orbs=.827 -1 1.087 2 1.915 0
isot=-138 139
ki=84.125
spec=-1.01
val=2.17
ox=1.97 0 0.53 
vdw=200

[Ce]
name=Cerium
gen=Ce#Z201114012 5470  50011108117110   0 920    0    0 3770 1800   042340 89003980010720036990026940208302003 493 6191682#9#143  0  0185   01818270 3
sprads=40182156130103 802 32 06 611501010 712101070 812831143 91336119610139012501214801340 40 04 61010 870 81110 97010121010701212801140
orbs=.825 -1 0.366 3 1.978 0
isot=136 138 140 142
ki=82.321
spec=-1.07
val=2.17
ox=1.76 3.2 0.41 4
vdw=200

[Pr]
name=Praseodymium
gen=Pr9Z200314091 5421    011107118111   0 920    0    0 4340 1110   035669113003310012040037850027200209301003 465   011029" 143  0  0185   01824266 3
sprads=40183141100101 782 33 23 61130 990 812661126 913191179 43 12 6 990 850 81100 960
orbs=.806 -1 0.351 3 1.942 0
isot=141
ki=80.633
spec=-1.07
val=2.17
vdw=200

[Nd]
name=Neodymium
gen=Nd9Z200414424 5490 -30011107119112   0 920    0    0 4800  700   032857 71002890012970033000027450207102003 470   011819" 143  0  0185   01814262 3
sprads=40182156130100 902 23 42 814301290 914901350 33 34 61123 983 812491109 9130311631214101270
orbs=.788 -1 0.337 3 1.912 0
isot=142 143 -144 145 146 148 150
ki=78.984
spec=-1.09
val=2.17
vdw=200

[Pm]
name=Promethium
gen=Pm9Z200514491 5550 -30011107120112   0 930    0    0 5200  330   03080012600    014410027330026810203614306 475   012509  142  0  0185   01834258 3
sprads=30182156130 9833 43 61110 970 812331093 912841144
orbs=.772 -1 0.325 3 1.882 0
isot=-145
ki=77.462
spec=-1.11
val=2.17
vdw=200

[Sm]
name=Samarium
gen=Sm:Z200615036 5630  30011107120112   0 940    0    0 5560   20   020610109001650013500020640029540201205003 480   01312:" 142  0  0185   01804254 3
sprads=30180145110 962 23 63 713601220 814101270 914601320 33 55 61098 958 711601020 812191079 9127211321213801240
orbs=.757 -1 0.314 3 1.854 0
isot=144 -147 148 149 150 152 154
ki=75.998
spec=-1.12
val=2.17
vdw=200

[Eu]
name=Europium
gen=Eu"Z200715197 5670 -30011101113106   0 950    0    0 3190 2420   017711105001760010950018700027660291605004 485   01366"  161  0  0185   02084250 3
sprads=40204160117 95 652 23 75 613101170 713401200 813901250 9144013001014901350 33 64 61087 947 711501010 812061066 912601120
orbs=.742 -1 0.3055 3 1.826 0
isot=151 153
ki=74.608
spec=-1.14
val=2.17
vdw=200

[Gd]
name=Gadolinium
gen=Gd!Z201715725 6140  50012111127119   0 960    0    0 6940-1020   039894155003010015860035390037030200274003 528 5942165!" 141  0  0180   01804246 3
sprads=40180 91 94 941001 33 74 61078 938 711401000 811931053 912471107
orbs=.715 -1 0.2925 3 0.96 2 1.713 0
isot=152 154 155 156 157 158 160
ki=73.281
spec=-1.19
val=2.17
vdw=200

[Tb]
name=Terbium
gen=Tb!Z200915893 5850  50012110124117   0 970    0    0 4420 1360   039062163002930016330033960028910194303003 494   01456;!"140  0  0175   01773242 3
sprads=40178150122 92 762 33 84 61063 923 71120 980 811801040 912351095 53 72 6 900 760 81020 880
orbs=.715 -1 0.2875 3 1.775 0
isot=159
ki=72.008
spec=-1.16
val=2.17
vdw=200

[Dy]
name=Dysprosium
gen=Dy!Z200:16250 5930 -30012110126118   0 970    0    0 4800 1060   029305172002800016850028350028160191233003 499   01492!# 139  0  0175   01781238 3
sprads=30177143110 912 23103 612101070 712701130 813301190 33 94 61052 912 71110 970 811671027 912231083
orbs=.702 -1 0.279 3 1.750 0
isot=156 158 160 161 162 163 164
ki=70.789
spec=-1.18
val=2.17
vdw=200

[Ho]
name=Holmium
gen=Ho!Z200;16493 6020 -30012110128119   0 980    0    0 5140  780   030263172002800017470029680027150188698003 503   01520!" 139  0  0175   01762234 3
sprads=30177143110 891 33104 61041 901 811551015 9121210721012601120
orbs=.690 -1 0.2715 3 1.727 0
isot=165
ki=69.686
spec=-1.18
val=2.17
vdw=200

[Er]
name=Erbium
gen=Er!Z200<16726 6100 -30012111130120   0 980    0    0 5450  540   031832172002800018020031360028120185653003 508   01553!" 138  0  0175   01761230 3
sprads=30176150120 881 33114 61030 890 71085 945 811441004 912021062
orbs=.678 -1 0.264 3 1.703 0
isot=162 164 166 167 168 170
ki=68.556
spec=-1.20
val=2.17
vdw=200

[Tm]
name=Thulium
gen=Tm!Z200=16893 6180  30012111130121   0 990    0    0 5730  320   023343184002470018180022200027030181831204 511   01589!" 138  0  0175   01759226 3
sprads=30175145116 872 23132 611701030 712301090 33123 61020 880 81134 994 911921052
orbs=.667 -1 0.2575 3 1.681 0
isot=169
ki=67.406
spec=-1.21
val=2.17
vdw=200

[Yb]
name=Ytterbium
gen=Yb#Z200>17304 6254 -30012106124114   0 990    0    0 2830 3270   015280 92001590010920014670026740250001003 516   01598!#"152  0  0175   01933222 3
sprads=30194142 90 862 23143 611601020 712201080 812801140 33134 61008 868 71065 925 81125 985 911821042
orbs=.657 -1 0.2515 3 1.658 0
isot=168 170 171 172 173 174 176
ki=66.362
spec=-1.23
val=2.17 
vdw=200
hcov=205

[Lu]
name=Lutetium
gen=Lu!Z201>17497 5426  50012114136127   01000    0    0 3270 3640   042737192004140019360036680026860178917504 566 5312461!" 137  0  017515571738218 3
sprads=30173146120 851 33143 61001 861 81117 977 911721032
orbs=.637 -1 0.2435 3 0.885 2 1.553 0
isot=175 -176
ki=65.309
spec=6.454
val=2.17
vdw=200

[Hf]
name=Hafnium
gen=Hf!l202>17849 7000    013123152140   0 810    0    0 4600 3940107561890250005710025000048750025730135266002 604 6673864!" 144  0  015514421580216 4
sprads=40159134110 97 711 40 04 4 720 580 6 850 710 7 900 760 8 970 830
orbs=.617 -1 0.829 2 1.476 0
isot=-174 176 177 178 179 180
ki=63.89
spec=6.830
val=1.925
vdw=200

[Ta]
name=Tantalum
gen=Ta"l203>18095 7890  32215133167156   01170    0    0 5130 1750 6157814324700758203269005698002536010919 902 635 7994238"  134  0  014513431467209 5
sprads=50148 88 83 67 66 643 32 21 6 860 720 42 11 6 820 680 50 03 6 780 640 7 830 690 8 880 740
orbs=.599 -1 0.784 2 1.413 0
isot=180 181
ki=62.461
spec=7.932
val=1.922
vdw=200

[W]
name=Tungsten
gen=W "l204>18385 7981  81517140179168   01575    0    0 5790 1230 57784810350008240036830059330024270 9601 332 661 9314609"< 130  0  013513041408202 6
sprads=60141110 80 75 65 66 413 42 21 6 800 660 52 11 6 760 620 60 03 4 560 420 5 650 510 6 740 600
orbs=.582 -1 0.746 2 1.360 0
isot=180 182 183 184 186
ki=61.118
spec=8.680
val=1.917
ox=1.42 2.8 0.37 6
vdw=200

[Re]
name=Rhnium
gen=Re!l205>18621 7880  15019146188177   01530    0    0 5000 2130 53676900340007040034530059000025480 89161703 68410624977!  128  0  013512831375197 3
sprads=70146123100 77 63 52 52 404 42 31 6 770 630 52 21 6 720 780 62 11 6 690 550 70 02 4 520 380 6 670 530
orbs=.566 -1 0.723 2 1.310 0
isot=185 -187
ki=59.828
spec=9.456
val=1.91
vdw=200

[Os]
name=Osmium
gen=Os!l206>19020 8700 110022152198186   01670    0    0 5930 1720 49479100317007380033180053000024700 84762004 70411935344!  126  0  013012601353192 4
sprads=80134120105 84 63 51 33 27 205 42 41 6 770 630 52 31 6 715 575 62 22 5 630 490 6 685 545 72 11 6 665 525 80 01 4 530 390
orbs=.550 -1 0.6925 2 1.266 0
isot=184 186 187 188 189 190 192
ki=58.672
spec=9.782
val=1.91
vdw=200

[Ir]
name=Iridium
gen=Ir#l207>19222 9100 156522155205190   01780    0    0 6790 1270 45266434264006120026830044030025100 85721004 72313265712#  127  0  013512651357187 3
sprads=50136137100 73 63 683 32 61 6 820 680 42 51 6 765 625 52 41 6 710 570
orbs=.536 -1 0.6655 2 1.227 0
isot=191 193
ki=57.539
spec=9.959
val=1.86
vdw=200
gkr= 16256.2201 3.1329

[Pt]
name=Platinum
gen=Pt#l109>19508 9000 212822144198187   01910    0    0 4470 3500 41056442197004690020450035600025860 91481504 63811395689#  130  0  013512951387183 2
sprads=60139109 80 73 63 58 503 22 82 4 740 600 6 940 800 42 61 6 765 625 52 51 6 710 570
orbs=.523 -1 0.647 2 1.221 0
isot=-190 192 194 195 196 198
ki=56.455
spec=10.159
val=1.9
vdw=172
gkr= 1079.772 1.9155 0.0 104.543 1.1825 0.0
hcov=153

[Au]
name=Gold
gen=Au#?10:>19697 9225 230924142197162   02570 5767 6917 1420 5720 37736593128003430013375833530025418102771104 65012526037#  134  0  013513361442179 1
sprads=50144137111 70 70 703 10 01 615101370 32 82 4 820 680 6 990 850 52 61 6 710 570
orbs=.510 -1 0.624 2 1.187 0
isot=197
ki=55.380
spec=11.332
val=2.06
vdw=166
gkr= 741.9215 1.7757 0.0 90.279 1.17475 0.0
hcov=152

[Hg]
name=Mercury
gen=HgFl20:>2005910437    019144180161   02195 8540 7030 2570  790 360 6446 2300 5910 23428 6297327983141528850 769172868198= 148  0  015014401573176 2
sprads=20162 97 692 10 12 31110 970 613301190 20 04 2 830 690 41100 960 611601020 812801140
orbs=.494 -1 0.598 2 1.126 0
isot=196 198 199 200 201 202 204
ki=54.375
spec=10.438
val=2.352
ox=1.02 2.2 0.36 2 1.02 0 1 1
vdw=155
hcov=174

[Tl]
name=Thallium
gen=Tl!l21:>20438 6108  20018144188164   0162011450 8890 2500 5920 69518285 431016610 5767017300026320173221751 462 9932401!" 148  0  019015491716255 1
sprads=30173147117 882 10 23 616401500 8173015901218401700 30 03 4 890 750 61025 885 81120 980
orbs=.485 -1 0.575 2 1.060 0 1.319 1
isot=203 205
ki=60.843
spec=10.58
val=2.06
ox=1.19 0 1 1 1.14 0 1 3
vdw=196
hcov=187

[Pb]
name=Lead
gen=Pb#l22:>20720 7416  36418155192166   0210513365 9000 4760 5875101319574 481017800 600652013002644018377 550 57812093073#  147  0  018015381750240 2
sprads=40175134 94 85 772 20 28 41120 980 613301190 713701230 814301290 914901350101540140011159014501216301490 40 04 4 790 650 5 870 730 6 915 775 81080 940
orbs=.473 -1 0.554 2 1.010 0 1.215 1
isot=204 206 207 208
ki=62.774
spec=10.97
val=2.042
ox=1.3 2 0.32 2 0 4.45 0.41 4
vdw=202
gkr= 369.1938 1.368
hcov=184

[Bi]
name=Bismuth
gen=Bi4l23:>20898 7289  94619167203170   023421457011240 4870 73001347207361090017910 544501833002552021442 182 698141837654  146  0  016015101700230 3
sprads=52170170145116116 96 85 742 30 23 51100 960 611701030 813101170 50 01 6 900 760
orbs=.461 -1 0.534 2 0.963 0 1.2125 1
isot=209
ki=63.342
spec=11.9
val=2.02
ox=1.25 2.6 0.36 3
vdw=200
hcov=181

[Po]
name=Polonium
gen=Po>l24:>20898 8480 190020176212186   0240015560 9320 6660 87101674141001000010080 527001235002575023110  00 82116244480>? 139  0  0190   01760227 4
sprads=60170155140125110 88 672 40 22 61080 940 812201080 60 01 6 810 670
orbs=.450 -1 0.5165 2 0.923 0 1.1385 1
isot=-210
ki=64.459
spec=13.0
val=2.09
vdw=200

[At]
name=Astatine
gen=At U25:>20999 9597 280022190228  0   0240017600 9600 8450101001674 9100    0    0 57500 61000    0    0  00 94518315221   140  0  0  0   01450225-1
sprads=70170155140125110 95 80 621 70 01 6 760 620
orbs=.440 -1 0.500 2 0.885 0 1.0775 1
isot=-210
ki=64.636
spec=14.1
val=2.09
vdw=200

[Rn]
name=Radon
gen=RnGU26:>2220210748 -42025250250  0   0250018270 9960 7230 8640   0    0 2890 1810 20200 2114020786    0600;107020315989   145  0  0  0   0   0225 0
sprads=002250
orbs=.430 -1 0.485 2 0.851 0 1.026 1
isot=-222
ki=64.368
spec=15.4
val=2.09
vdw=200

[Fr]
name=Francium
gen=FrF 100022302 3887  470 7 86 84 80   0 200 2300 3400 1500 1800   0 7500    0    0 29440 9300031700    0  00 34115752655   222  0  0  0   02820350 1
sprads=102501801 10 01 619401800
orbs=.024 -1 2.447 0
isot=-223
spec=-0.69
val=2.5
vdw=200

[Ra]
name=Radium
gen=Ra"f200022603 5276    0 9 97 96 92   0 600 4010 4460 1740 2920   015900 850011300 973001413002576041337  00 42420763268"  185  0  0215   02350300 2
sprads=201901661431 20 02 8162014801218401700
orbs=.972 -1 2.042 0
isot=-226
spec=-0.93
val=2.4
vdw=200

[Ac]
name=Actinium
gen=Ac"l201022703 4919  30011100112106   0 600    0    0 2610 4619   04060010500293001323003473002720022694  00 464 584   0"  171  0  0195   01880250 3
sprads=301881651421181 30 01 612601120
orbs=.930 -1 1.274 2 1.895
isot=-227
spec=-1.10
val=2.07
vdw=200

[Th]
name=Thorium
gen=Th#l202023204 5620  50013111124118   0 600    0    0 3060 5120   05986516110513702023005063002732019922 222 496 702   0#" 163  0  0180   01790220 4
sprads=40180130 80 901001 40 06 61080 940 811901050 912301090101270113011132011801213501210
orbs=.894 -1 1.186 2 1.788
isot=-232
spec=-1.24
val=2.07
ox=1.93 0 0.44
vdw=200

[Pa]
name=Protactinium
gen=Pa8l201223104 5335  30015114122117   0 600    0    0 2818 5035   060700167004810018250045000027610152783006 475 60514528" 148  0  0180   01630210 5
sprads=50161145129113 98 893 33 21 611801040 43 12 61040 900 811501010 50 03 6 920 780 81050 910 91090 950
orbs=.884 -1 0.567 3 1.198 2 1.804 0
isot=-231
spec=-1.30
val=2.07
vdw=200

[U]
name=Uranium
gen=U @l201323803 5414  30017122124118   0 600    0    0 2857 5114   05354312600417001405504091002766512572 452 480 6111610@A"143  0  017514261560190 6
sprads=60155140130106 97 76 454 33 31 611651025 43 25 61030 890 71090 950 811401000 9119010501213101170 53 12 6 900 760 7 980 840 60 05 2 590 450 4 660 520 6 870 730 7 950 810 81000 860
orbs=.865 -1 0.536 3 1.171 2 1.775 0
isot=-234 -235 -238
spec=-1.38
val=2.07
ox=1.66 0 0.61 6 1.87 0 1 4
vdw=186

[Np]
name=Neptunium
gen=NpBl201423705 5493  30013122122116   0 600    0    0 2897 5193   045700 946033600 9130041750029620116504455 485 6141762BC"141  0  0175   01550190 4
sprads=70158134110104 95 80 80 716 23 51 612401110 33 41 611501010 43 32 61010 870 81120 980 53 21 6 890 750 63 11 6 860 720 70 01 6 850 710
orbs=.848 -1 0.516 3 1.147 2 1.741 0
isot=-237
spec=-1.27
val=2.07
vdw=200

[Pu]
name=Plutonium
gen=PuDl200624406 5113 -30013122124118   0 600    0    0 2407 5413   034800 280034350 9140035050032800121204456 457   01459DE5146  0  0175   01590190 4
sprads=60164127 90100 80 70 604 33 51 611401000 43 42 61000 860 81100 960 53 31 6 880 740 63 21 6 850 710
orbs=.842 -1 0.504 3 1.784 0
isot=-238 -239 -242 -244
spec=-1.28
val=2.07
vdw=200

[Am]
name=Americium
gen=Am9l200724306 5655 -30013120125119   0 600    0    0 2678 5955   026600100002385012670028800025860177401008 461   015869#"157  0  0175   01730190 3
sprads=60173146120101 92 69 503 23 73 713501210 814001260 914501310 33 62 61115 975 812301090 43 52 6 990 850 81090 950
orbs=.826 -1 0.493 3 1.757 0
isot=-241 -243
spec=-1.17
val=2.07
vdw=200

[Cm]
name=Curium
gen=Cm9l201724707 5667  30013120120  0   0 600    0    0 2984 5367   038200146003597016130038130027700181701008 498 61821989# 158  0  0175   01740190 3
sprads=40151133115 98 952 33 71 61110 970 43 62 6 990 850 81090 950
orbs=.801 -1 0.4735 3 1.086 2 1.657 0
isot=-242 -244 -247
spec=-1.23
val=2.07
vdw=200

[Bk]
name=Berkelium
gen=Bk9l200924707 5493  30013120120  0   0 600    0    0 2897 5193   029100    0    0125900     0    016950100< 468   018289# 155  0  0175   01700190 3
sprads=40151133115 96 932 33 81 61110 960 43 72 6 970 830 81070 930
orbs=.788 -1 0.4595 3 1.071 2 1.626 0
isot=-247 -249
spec=-1.24
val=2.07
vdw=200

[Cf]
name=Californium
gen=Cf9l200:24206 5409 -30013120120  0   0 600    0    0 2555 5709   017500    0    0117300     0    015600100: 471   019469##169  0  0175   01860190 3
sprads=30151133115 952 32 11 61090 950 43 82 6 961 821 81060 920
orbs=.775 -1 0.4475 3 1.054 2 1.598 0
isot=-249 -251 -252
spec=-1.26
val=2.07
vdw=200

[Es]
name=Einsteinium
gen=Es#l200;25208 5480 -30013120120  0   0 600    0    0 2590 5780   015000    0    0113300     0    0    0  00 474   02062#  169  0  0175   01860190 3
sprads=30151133115 951 33 91 61090 950
orbs=.761 -1 0.4355 3 1.037 2 1.576 0
isot=-253 -254
spec=-1.27
val=2.07
vdw=200

[Fm]
name=Fermium
gen=Fm l200<25710 5551 -10013120120  0   0 600    0    0 2726 5851   014100    0    0     0     0    0    0  00 477   02176   170  0  0175   0   0190 3
sprads=30151133115 951 33101 61090 950
orbs=.750 -1 0.425 3 1.026 2 1.557 0
isot=-257
spec=-1.28
val=2.07
vdw=200

[Md]
name=Mendelevium
gen=Md l200=25810 5624 100013120120  0   0 600    0    0 3312 4624   011600    0    0     0     0    0    0  00 480   02287   170  0  0175   0   0190 3
sprads=30151133115 951 33111 61090 950
orbs=.739 -1 0.415 3 1.015 2 1.527 0
isot=-256 -258
spec=-1.30
val=2.07
vdw=200

[No]
name=Nobelium
gen=No l200>25910 5697 -30013120120  0   0 600    0    0 2699 5997   010800    0    0     0     0    0    0  00 483   02397   170  0  0175   0   0190 3
sprads=30151133115 951 33121 61090 950
orbs=.738 -1 0.4075 3 1.581 0
isot=-259
spec=-1.27
val=2.07
vdw=200

[Lr]
name=Lawrencium
gen=Lr l201>26011 4312  30013120120  0   0 600    0    0 2306 4012   030800    0    0     0     0    0    0  00 525 5933154   170  0  0175   0   0190 3
sprads=30151133115 951 33131 61090 950
orbs=
isot=-260
spec=-1.27
val=2.07
vdw=200

[Rf]
name=Rutherfordium
gen=Rf !202>26111    0   0  0120120  0   0   0    0    0    0    0   0    0    0    0     0     0    0    0  00   0   0   0     0  0  0  0   0   0  0 3
sprads=00 0000
orbs=-261
spec=-1.27
val=2.07
vdw=200

[Ha]
name=Hahnium
gen=Ha !203>26211    0   0  0120120  0   0   0    0    0    0    0   0    0    0    0     0     0    0    0  00   0   0   0     0  0  0  0   0   0  0 3
sprads=00 0000
orbs=-262
spec=-1.27
val=2.07
vdw=200

[Sg]
name=Seaborgium
gen=Sg !204>26312    0   0  0120120  0   0   0    0    0    0    0   0    0    0    0     0     0    0    0  00   0   0   0     0  0  0  0   0   0  0 3
sprads=00 0000
orbs=
isot=-263
spec=-1.27
val=2.07
vdw=200

[Ns]
name=Nielsbohrium
gen=Ns !205>26212    0   0  0120120  0   0   0    0    0    0    0   0    0    0    0     0     0    0    0  00   0   0   0     0  0  0  0   0   0  0 3
sprads=00 0000
orbs=
spec=-1.27
val=2.07
vdw=200

[Hs]
name=Hassium
gen=Hs !206>    0    0   0  0120120  0   0   0    0    0    0    0   0    0    0    0     0     0    0    0  00   0   0   0     0  0  0  0   0   0  0 3
sprads=00 0000
orbs=
spec=-1.27
val=2.07
vdw=200

[Mt]
name=Meitnerium
gen=Mt !207>    0    0   0  0120120  0   0   0    0    0    0    0   0    0    0    0     0     0    0    0  00   0   0   0     0  0  0  0   0   0  0 3
sprads=00 0000
orbs=
spec=-1.27
val=2.07
vdw=200

[groups]
110=ClO:hypochlorito Cl1O1
111=ClO2:chlorito Cl1O2
112=ClO3:chlorato Cl1O3
113=ClO4:perchlorato ClO4
114=BrO:hypobromito Br1O1
115=BrO2:bromito Br1O2
116=BrO3:bromato Br1O3
117=BrO4:perbromato BrO4
118=IO:iodosyl I1O1
119=IO2:iodyl I1O2
120=IO3:iodato I1O3
121=IO6:periodato I1O6z-5
122=O2:peroxo~dioxy O2z-2
123=Cl*:chloro Cl1O6H12z-1
124=OH:hydroxo O1H1
125=H2O:aquo~oxonio O1H2
126=H3O:oxonium H3O1
127=HS:mercapto H1S1
128=S2:dithio S2z-2
129=SO:thionyle~sulfinyl S1O1
130=SO2:sulfonyl S1O2
131=SO3:sulfonato S1O3z-2
132=H2S:sulfonio H2S1
133=H3S:sulfonium H3S1
134=S2O2:thiosulfonyl S2O2z-2
135=S2O3:thiosulfato S2O3z-2
136=S2O4:dithionyl S2O4z-2
137=S2O5:disulfito S2O5z-2
138=S2O6:dithionato S2O6z-2
139=S2O7:disulfato S2O7z-2
140=S2O8:peroxodisulfato S2O8z-2
141=SO4:sulfato S1O4z-2
142=SO5:peroxosulfato S1O5z-2
143=SeO:seleninyl Se1O1
144=SeO2:selenonyl Se1O2
145=SeO3:selenito Se1O3z-2
146=SeO4:selenato Se1O4z-2
147=CrO4:chromato CrO4z-2
148=MnO4:permanganto Mn1O4
149=TcO4:pertechnetate Tc1O4
150=ReO4:perrhenate Re1O4
151=F*:fluoro F1O4H4z-1
152=N2:azo~azino~diazo~diazonio N2
153=N3:azido~azoturo N3
154=NH:imido~imino~aminylen N1H1
155=NH2:amido~amino~aminyl N1H2
156=NH3:ammine N1H3
157=NH4:ammonium N1H4
158=NH2O:hydroxylamido~hydroxylamino N1H2O1
159=N2H6:hydrazinium N2H6z+2
160=NO:nitroso~nitrosyl N1O1
161=N2O:azoxy N2O1
162=NO2:nitrito~nitryl~nitro N1O2
163=NS:thionitrosyl N1S1
164=NO3:nitrato N1O3
165=NO4:peroxonitrato N1O4
166=N2O2:hyponitrito N2O2
167=PH2:phosphino~dihydrogenophosphuro P1H2
168=PH3:phosphinio~phosphine P1H3
169=PH4:phosphonium P1H4
170=PO:phosphoroso~phosphoryl P1O1
171=PS:thiophosphoryl P1S1
172=PH2O2:phosphinato P1H2O2
173=PHO3:phosphonato P1H1O3
174=PO4:phosphato P1O4z-3
175=P2H2O5:diphosphonato P2H2O5
176=P2O5:diphosphonato P2O5z-4
177=P2O6:hypophosphato P2O6z-4
178=P2O7:pyrophosphato P2O7z-4
179=P2O8:peroxodiphosphato P2O8
180=PO5:peroxophosphato P1O5z-3
181=AsO4:arsenato As1O4z-3
182=CO:carbonyl C1O1
183=CS:thiocarbonyl C1S1
184=COOH:carboxyl C1O2H1
185=CO2:carboxylato C1O2
186=CS2:dithiocarboxylato C1S2
187=H2NCO:carbamoyl H2N1C1O1
188=H2NCO2:carbamato~carbomoyloxy H2NN1C1O2
189=MeO:methoxo C1H3O1
190=EtO:ethoxo C2H5O1
191=PrO:propoxo C3H7O1
192=BuO:butoxo C4H9O1
193=AmO:amyloxo C5H11O1
194=MeS:methylthio~methylsulfanyl C1H3S1
195=EtS:ethylthio~ethylsulfanyl C2H5S1
196=CN:cyano~isocyano C1N1
197=CNO:cyanato~fulminato O1C1N1
198=SCN:thiocyanato~isothiocyanato S1C1N1
199=SeCN:selenocyanato~isoselenocyanato Se1C1N1
200=CO3:carbonato~carbonyldioxy C1O3
201=AcO:acetato~acetoxy C2H3O2
202=Ac:acetyl C2H3O1
203=ox:oxalato C2O4z-2
204=Acac:acetylacetonato C5H7O2
205=bpy:2,2'-bipyridyl C10HH8N2
206=cod:1,5-cyclooctadiene C8H12
207=cot:cyclooctatetraene C8H12
208=Cp:cyclopentadienyl C5H5
209=Cp*:pentamethylcyclopentadienyl C5H5
210=Cy:cyclohexyl C6H11
211=diphos:1,2-bis(diphenylphosphino)ethane C14H24P2
212=dmf:dimethylformamide C3H7N1O1
213=dmso:dimethylsulfoxyde C2H6S1O1
214=en:ethylenediamine C2N2H8
215=Ph:phenyl C6H5
216=PhO:phenoxo C6H5O1
217=py:pyridine C5H5N
218=thf:tetrahydrofuranne C4H8O
219=tmeda:tetramethylethylenediamine C6H16N2
220=bzo:benzoato C7H5O2
221=cit:citrato C6H5OO7
222=dien:diethylenetriamine C4H13N3
223=dtc:diethylthiocarbamato C5H10N1C1O1S1
224=dma:dimethylacetamide C4H9N1O1
225=dmg:dimethylgyoxime C4H6N2O2
226=dmpz:2,5-dimethylpyrazine C6H10N2
227=dz:dithizone~diphenylthiocarbazone C13H12N4S1
228=ea:ethanolamine C2H7N1O1
229=edta:ethylenediaminetetracetato C10H10N2O8z-4
230=gly:glycinato C2H4N1O2
231=im:imidazole C4H5N1
232=mal:malonato C3H2O4
233=nma:methylacetamide C3H7N1O1
234=mpz:methylpyrazine C5H6N2
235=nta:nitrilotriacetato C6H6N1O6
236=tren:2,2',2"-nitrilotri(ethylamine) C6H18N4
237=oxin:oxinato~8-hydroxyquinoleine C9H6N1O1
238=phen:1,10-phenanthroline C12H8N2
239=diars:diarsine~o-phenylenebis(dimethylarsine) C10H16As2
240=phth:phtalato C8H4O4
241=pz:pyrazine C4H4N2
242=pyraz:pyrazole C3H3N2
243=pyd:pyrimidine C4H4N2
244=quin:quinoleine C9H7N1
245=suc:succinato C4H4O4
246=tu:thiourea CH4N2S1
247=tea:triethanolamine C6H15NO3
248=trien:triethylenetetramine C6H18N4
249=tn:trimethylenediamine C3H10N2
250=terpy:2,2',2"tripyridine C15H11N3
251=ur:urea CH4N2O1
252=val:valinato C5H10N1O2
253=BO3:borato B1O3z-3
254=SiO4:silicato Si1O4z-4
255=AsO3:arsenito As1O3z-3

[colors]
1=aquamarine   127 255 212 #1
2=black   0 0 0 #2
3=blue    0 0 255 #3
4=blue_violet   138 43 226 #4
5=royal_blue  65 105 225 #5
6=bisque  255 228 196 #6
7=brown   165 42 42 #7
8=cadet_blue   95 158 160 #8
9=flesh   220 150 130 #9
10=dummy   2 2 2 #10
11=chrome 102 102 128 #-11
12=concrete  153 153 153 #-12
13=coral   255 127 80 #13
14=cornflower_blue  100 149 237 #14
15=crystal 250 250 250 #-15
16=cyan    0 255 255 #16
17=burly_wood   222 184 135 #17
18=dark_salmon   233 150 122 #18
19=dark_grey   84 84 84 #19
20=dark_khaki   189 183 107 #20
21=dark_olive_green  85 107 47 #21
22=dark_orchid   153 50 204 #22
23=dark_see_green    143 188 143 #23
24=dark_slate_blue  72 61 139 #24
25=dark_orange  255 140 0 #25
26=dark_slate_grey  47 79 79 #26
27=dark_tan   130 89 67 #27
28=dark_turquoise  0 206 209 #28
29=dark_wood  130 89 67 #-29
30=dodger_blue  30 144 255 #30
31=deep_pink   255 20 147 #31
32=dim_grey   105 105 105 #32
33=felt   17 69 17 #-33
34=firebrick   178 34 34 #34
35=forest_green   34 139 34 #35
36=glass   230 230 230 #-36
37=gold    255 215 0 #37
38=goldenrod   218 165 32 #38
39=chocolate    210 105 30 #39
40=sulphur_yellow  255 200 50 #40
41=green   0 255 0 #41
42=green_yellow   173 255 47 #42
43=grey  191 191 191 #43
44=ice   249 249 249 #-44
45=indian_red   205 92 92 #45
46=khaki   240 230 140 #46
47=tomato   255 99 71 #47
48=light_blue   173 216 230 #48
49=light_coral   240 128 128 #49
50=light_grey   211 211 211 #50
51=light_sky_blue   135 206 250 #51
52=light_steel_blue  176 196 222 #52
53=light_wood  219 147 112 #-53
54=lime_green   50 205 50 #54
55=magenta   255 0 255 #55
56=marble   204 204 204 #-56
57=maroon   176 48 96 #57
58=medium_aquamarine  102 205 170 #58
59=medium_blue   0 0 205 #59
60=medium_violet_red   199 21 133 #60
61=medium_turquoise  72 209 204 #61
62=medium_goldenrod  234 234 173 #62
63=olive_drab   107 142 35 #63
64=medium_grey   127 127 127 #64
65=medium_orchid  186 85 211 #65
66=medium_purple  147 112 219 #66
67=medium_sea_green  60 179 113 #67
68=medium_slate_blue  123 104 238 #68
69=medium_spring_green  0 250 154 #69
70=medium_tan    219 147 112 #70
71=misty_rose  255 228 225 #71
72=mint_cream  245 255 250 #72
73=peru  205 133 63 #73
74=midnight_blue  25 25 112 #74
75=mortar   153 153 153 #-75
76=moccasin    255 228 181 #76
77=navy_blue   0 0 128 #77
78=orange   255 165 0 #78
79=orange_red   255 69 0 #79
80=orchid   218 112 214 #80
81=pale_green   152 251 152 #81
82=pink    255 192 203 #82
83=plum    221 160 221 #83
84=red    255 0 0 #84
85=red_wine   255 51 102 #-85
86=salmon   250 128 114 #86
87=sea_green   46 139 87 #87
88=sienna   160 82 45 #88
89=silver   192 192 192 #89
90=sandy_brown   244 164 96 #90
91=sky_blue   135 206 235 #91
92=slate_blue   106 90 205 #92
93=spring_green   0 255 127 #93
94=steel_blue   70 130 180 #94
95=thistle   216 191 216 #95
96=turquoise   64 224 208 #96
97=violet   238 130 238 #97
98=violet_red   208 32 144  #98
99=wheat   245 222 179 #99
100=white   255 255 255 #100
101=wood  219 147 112 #-101
102=yellow   255 255 0 #102
103=yellow_green   154 205 50 #103
104=alice_blue   240 248 255 #104
105=antique_white    250 235 215 #105
106=azure    224 238 238 #106
107=beige   245 245 220 #107
108=blanched_almond   255 235 205 #108
109=chartreuse   127 255 0 #109
110=corn_silk  255 248 220 #110
111=dark_goldenrod   184 134 11 #111
112=dark_violet   148 0 211 #112
113=dark_green    0 100 0 #113
114=deep_sky_blue  0 191 255 #114
115=floral_white   255 250 240  #115
116=gainsboro   220 220 220 #116
117=ghost_white  248 248 255 #117
118=honey_dew   240 255 240 #118
119=hot_pink   255 105 180 #119
120=ivory   255 255 240 #120
121=lavender_blush  255 240 245 #121
122=lavender   230 230 250 #122
123=lawn_green   124 252 0 #123
124=lemon_chiffon   255 250 205 #124
125=light_goldenrod   238 221 130 #125
126=light_pink   255 182 193 #126
127=light_salmon  255 160 122 #127

[1H]
mass=1007825.032
spin=0.5
abond=99.985
gam=26.7522129
ref=100.0 Me4Si/C6D6
abs=25.79

[2H]
mass=2014101.778
spin=1.0
abond=0.015
gam=4.10662791
qm=0.00286
ref=15.350608 (CD3)4Si neat
abs=25.79

[3H]
mass=3016049.268
spin=0.5
abond=-378691200
gam=28.535
ref=106.663974 Me4Si-t12/C6D6

[3He]
mass=3016029.310
spin=0.5
abond=0.000137
gam=-20.3801587
ref=76.178965 He gas

[4He]
mass=4002603.250
abond=100

[6Li]
mass=6015122.281
spin=1.0
abond=7.5
gam=3.9371709
qm=-0.00082
ref=14.716105 LiCl/D2O

[7Li]
mass=7016004.049
spin=1.5
abond=92.5
gam=10.3977013
qm=-0.04
ref=38.863786 LiCl/D2O
efg=0.0387
abs=90.4

[9Be]
mass=9012182.135
spin=1.5
abond=100.0
gam=-3.759666
qm=-0.0529
ref=14.051819 Be(NO3)2/D2O
efg=0.1730

[10B]
mass=10012937.027
spin=3.0
abond=19.9
gam=2.87467860
qm=0.0846
ref=10.743657 BF3(OEt)/CDCl3
abs=202

[11B]
mass=11009305.466
spin=1.5
abond=80.1
gam=8.5847044
qm=0.0406
ref=32.083972 BF3(OEt)/CDCl3
abs=202
efg=0.6080
fq=0.24250

[12C]
mass=12000000.0  
abond=98.892

[13C]
mass=13003354.838
spin=0.5
abond=1.108
gam=6.728284
ref=25.145004 Me4Si
efg=1.2300
fq=0.38530
abs=185.4

[14N]
mass=14003074.005
spin=1.0
abond=99.634
gam=1.9337792
qm=0.0199
ref=7.226329 CH3NO2 neat
efg=2.4600
fq=0.63140
abs=-135

[15N]
mass=15000108.898
spin=0.5
abond=0.366
gam=-2.71261804
ref=MeNO2 or [NO3]-
abs=-135
efg=2.4600
fq=0.63140

[16O]
mass=15994914.622
abond=99.759

[17O]
mass=16999131.501
spin=2.5
abond=0.038
gam=-3.62808
qm=-0.0256
ref=13.556429 D2O neat
efg=4.3000
efgth=5.03
fq=1.0000
qat=20.88
abs=324.0
ash= 6.3

[18O]
mass=17999160.419
abond=0.204

[19F]
mass=18998403.205
spin=0.5
abond=100.0
gam=25.18148
ref=94.094000 CCl3F
efg=6.5600
fq=1.14010
abs=188.7

[20Ne]
mass=19992440.176
abond=90.92

[21Ne]
mass=20993846.744
spin=1.5
abond=0.27
gam=-2.11308
qm=0.1016

[22Ne]
mass=21991385.510
abond=8.82

[23Na]
mass=22989769.675
spin=1.5
abond=100.0
gam=7.0808493
qm=0.10
ref=26.451788 NaBr/D2O
efg=0.2440

[24Mg]
mass=23985041.898
abond=78.60

[25Mg]
mass=24985837.023
spin=2.5
abond=10.0
gam=-1.63887
qm=0.20
ref=6.121642 MgCl2/D2O
efg=0.7700

[26Mg]
mass=25982593.040
abond=11.29

[27Al]
mass=26981538.441
spin=2.5
abond=100.0
gam=6.97627154
qm=0.14
ref= 26.056888 Al(NO3)3/D2O
efg=1.2800
fq=0.49570

[28Si]
mass=27976926.533
abond=92.17

[29Si]
mass=28976494.719
spin=0.5
abond=4.67
gam=-5.3190
ref=19.867187 Me4Si
dia=861.0
fdia=6.0
efg=2.3100
fq=1.0000
abs=368.5
fit=12290 4 5.691 -4.246 16.110 -18.332 7.614
efgat=2.31
int=SIME4 SIF4M SIH4 SICL4 LQUARTZ SIOH4 SIOME4 SIOET4

[30Si]
mass=29973770.218
abond=3.12

[31P]
mass=30973761.512
spin=0.5
abond=100
gam=10.8394
ref=40.480737 85%H3PO4/D2O
efg=3.4800
fq=0.74720
abs=356.0

[32S]
mass=31972070.690
abond=95.0

[33S]
mass=32971458.497
spin=1.5
abond=0.75
gam=3.192944
qm=-0.068
ref=7.670123 (NH4)2SO4/D2O
efg=5.0200
fq=0.83490
abs=581.0

[34S]
mass=33967866.831
abond=4.22

[36S]
mass=35967080.880
abond=0.014

[35Cl]
mass=34968852.707
spin=1.5
abond=75.77
gam=2.624198
qm=-0.080
ref=9.797930 KCl/D2O
efg=7.1600
fq=1.08270

[37Cl]
mass=36965902.600
spin=1.5
abond=24.23
gam=2.184368
qm=-0.065
ref=8.155763 KCl/D2O

[36Ar]
mass=35967546.282
abond=0.337

[38Ar]
mass=37962732.161
abond=0.063

[40Ar]
mass=39962383.123
abond=99.6

[39K]
mass=38963706.861
spin=1.5
abond=93.2581
gam=1.2500608
qm=-0.060
ref=4.666423 KI/D2O
efg=0.4380

[40K]
mass=39963998.672
spin=4.0
abond=0.0117
gam=-1.5542854
qm=-0.075
ref=5.802080 KI/D2O

[41K]
mass=40961825.972
spin=1.5
abond=6.7302
gam=0.68606809
qm=0.073
ref=2.561332 KI/D2O

[40Ca]
mass=39962591.155
abond=96.97

[42Ca]
mass=41958618.337
abond=0.64

[43Ca]
mass=42958766.833
spin=3.5
abond=0.135
gam=-1.803069
qm=-0.041
ref=6.729996 CaCl2/D2O
efg=1.1300

[44Ca]
mass=43955481.094
abond=2.06

[46Ca]
mass=45953692.759
abond=0.0033

[48Ca]
mass=47952533.512
abond=0.185

[45Sc]
mass=44955910.243
spin=3.5
abond=100.0
gam=6.5087973
qm=-0.22
ref=24.291700 SrCl3/D2O
efg=1.4280

[46Ti]
mass=45952629.491
abond=7.99

[47Ti]
mass=46951763.792
spin=2.5
abond=7.32
gam=-1.5105
qm=0.29
ref=5.637583 TiCl4 neat

[48Ti]
mass=47947947.053
abond=73.99

[49Ti]
mass=48947870.789
spin=3.5
abond=5.46
gam=-1.51095
qm=0.24
ref=5.639091 TiCl4 neat
efg=2.0150

[50Ti]
mass=49944792.069
abond=5.25

[50V]
mass=49947162.792
spin=6.0
abond=0.25
gam=2.6706490
qm=0.21
ref=9.970314 VOCl3 neat

[51V]
mass=50943963.675
spin=3.5
abond=99.75
gam=7.04551166
qm=0.052
ref=26.302961 VOCl3 neat
efg=2.6450

[50Cr]
mass=49946049.607
abond=4.31

[52Cr]
mass=51940511.904
abond=83.76

[53Cr]
mass=52940653.781
spin=1.5
abond=9.501
gam=-1.5152
qm=-0.15
ref=5.652477 K2CrO4/D2O
efg=3.3390

[54Cr]
mass=53938884.921
abond=2.38

[55Mn]
mass=54938049.636
spin=2.5
abond=100.0
gam=6.6452546
qm=0.33
ref=24.789060 KMnO4/D2O
efg=4.1280

[54Fe]
mass=53939614.836
abond=5.84

[56Fe]
mass=55934942.133
abond=91.68

[57Fe]
mass=56935398.707
spin=0.5
abond=2.17
gam=0.8680624
ref=3.237778 Fe(CO)5/C6D6
efg=4.9780

[58Fe]
mass=57933280.458
abond=0.31

[59Co]
mass=58933200.194
spin=3.5
abond=100.0
gam=6.332
qm=0.42
ref=23.727072 K3[Co(CN)6]/D2O
efg=5.9260

[58Ni]
mass=57935347.922
abond=67.76

[60Ni]
mass=59930790.633
abond=26.16

[61Ni]
mass=60931060.442
spin=1.5
abond=1.14
gam=-2.3948
qm=0.16
ref=8.936050 Ni(CO)4 neat
efg=6.9830

[62Ni]
mass=61928348.763
abond=3.66

[64Ni]
mass=63927969.574
abond=1.16

[63Cu]
mass=62929601.079
spin=1.5
abond=69.17
gam=7.1117890
qm=-0.220
ref=26.515441 [Cu(CH3CN)4][ClO4]/CH3CN
efg=8.0680

[65Cu]
mass=64927793.707
spin=1.5
abond=30.83
gam=7.60435
qm=-0.204
ref=28.403658 [Cu(CH3CN)4][ClO4]/CH3CN

[64Zn]
mass=63929146.578
abond=48.89

[66Zn]
mass=65926036.763
abond=27.81

[67Zn]
mass=66927130.859
spin=2.5
abond=4.11
gam=1.676688
qm=0.15
ref=6.256819 Zn(NO3)2/D2O
efg=9.2500

[68Zn]
mass=67924847.566
abond=18.56

[70Zn]
mass=69925324.870
abond=0.62

[69Ga]
mass=68925580.912
spin=1.5
abond=60.108
gam=6.438855
qm=0.17
ref=24.001253 Ga(NO3)3/D2O

[71Ga]
mass=70924705.010
spin=1.5
abond=39.892
gam=8.181171
qm=0.10
ref=30.496576 Ga(NO3)3/D2O
efg=3.5000
fq=1.36560

[70Ge]
mass=69924250.365
abond=20.55

[72Ge]
mass=71922076.184
abond=27.37

[73Ge]
mass=72923459.361
spin=4.5
abond=7.73
gam=-0.9360303
qm=-0.18
ref=3.488315 Me4Ge neat
efg=5.7500
fq=1.52450

[74Ge]
mass=73921178.213
abond=36.74

[76Ge]
mass=75921402.716
abond=7.67

[75As]
mass=74921596.417
spin=1.5
abond=100.0
gam=4.596163
qm=0.31
ref=17.122710 NaAsF6/CH3CN
efg=7.5100
fq=1.47750

[74Se]
mass=73922476.561
abond=0.87

[76Se]
mass=75919214.107
abond=9.02

[77Se]
mass=76919914.610
spin=0.5
abond=7.63
gam=5.1253857
ref=19.071535 Me2Se
efg=9.6200
fq=1.55140

[78Se]
mass=77917309.522
abond=23.52

[80Se]
mass=79916521.828
abond=49.82

[82Se]
mass=81916700.000
abond=9.19

[79Br]
mass=78918337.647
spin=1.5
abond=50.69 *
gam=6.725616
qm=0.33
ref=25.054452 NaBr/D2O

[81Br]
mass=80916291.060
spin=1.5
abond=49.31
gam=7.249776
qm=0.28
ref=27.007026 NaBr/D2O
efg=13.5500
fq=1.92520

[78Kr]
mass=77920386.271
abond=0.35

[80Kr]
mass=79916378.040
abond=2.27

[82Kr]
mass=81913484.601
abond=11.56

[83Kr]
mass=82914135.952
spin=4.5
abond=11.5
gam=-1.03310
qm=0.26
ref=3.8476 Kr gas

[84Kr]
mass=83911506.627
abond=56.90

[86Kr]
mass=85910610.313
abond=17.37

[85Rb]
mass=84911789.341
spin=2.5
abond=72.165 *
gam=2.5927050
qm=0.26
ref=9.655172 RbCl/D2O

[87Rb]
mass=86909183.465
spin=1.5
abond=27.835
gam=8.786400
qm=0.13
ref=32.721215 RbCl/D2O
efg=0.8450

[84Sr]
mass=83913424.778
abond=0.56

[86Sr]
mass=85909262.351
abond=9.86

[87Sr]
mass=86908879.316
spin=4.5
abond=7.00
gam=-1.1639376
qm=0.33
ref=4.333800 SrCl2/D2O
efg=2.0000

[88Sr]
mass=87905614.339
abond=82.56

[89Y]
mass=88905847.902
spin=0.5
abond=100.0
gam=-1.3162791
ref=4.900200 Y(NO3)3/D2O

[90Zr]
mass=89904703.679
abond=51.46

[91Zr]
mass=90905644.968
spin=2.5
abond=11.22
gam=-2.49743
qm=-0.21
ref=9.296297 [Zr(C5H5)2Cl2]/CH2Cl2

[92Zr]
mass=91905040.106
abond=17.11

[94Zr]
mass=93906315.765
abond=17.40

[96Zr]
mass=95908275.675
abond=2.80

[93Nb]
mass=92906377.543
spin=4.5
abond=100.0
gam=6.5674
qm=-0.32
ref=24.476193 K[NbCl6]/CH3CN

[92Mo]
mass=91906810.480
abond=15.86

[94Mo]
mass=93905087.578
abond=9.12

[95Mo]
mass=94905841.487
spin=2.5
abond=15.92
gam=-1.751
qm=-0.022
ref=6.516942 Na2MoO4/D2O

[96Mo]
mass=95904678.904
abond=16.50

[97Mo]
mass=96906021.033
spin=2.5
abond=9.55 *
gam=-1.788
qm=-0.255
ref=6.653711 Na2MoO4/D2O

[98Mo]
mass=97905407.846
abond=23.75

[100Mo]
mass=99907477.149
abond=9.62

[94Tc]
mass=93909656.309
abond=-3240

[99Tc]
mass=98906254.554
spin=4.5
abond=-21600
gam=6.046
qm=-0.13
ref=22.508314 KTcO4/D2O

[96Ru]
mass=95907597.681
abond=5.46

[98Ru]
mass=97905287.111
abond=1.868

[99Ru]
mass=98905939.307
spin=2.5
abond=12.7
gam=-1.229
qm=0.076
ref=4.605151 K4[Ru(CN)6]/D2O

[100Ru]
mass=99904219.664
abond=12.53

[101Ru]
mass=100905582.219
spin=2.5
abond=17.02
gam=-1.377
qm=0.46
ref=5.161369 K4[Ru(CN)6]/D2O

[102Ru]
mass=101904349.503
abond=31.6

[104Ru]
mass=103905430.145
abond=18.87

[103Rh]
mass=102905504.182
spin=0.5
abond=100.0
gam=-0.8468
ref=3.172310 mer-[RhCl3(SMe2)3]

[102Pd]
mass=101905607.716
abond=0.96

[104Pd]
mass=103904034.912
abond=10.97

[105Pd]
mass=104905084.046
spin=2.5
abond=22.33
gam=-1.23
qm=0.66
ref=4.576100 K2[Pd(Cl6]/D2O

[106Pd]
mass=105903483.087
abond=27.3

[108Pd]
mass=107903894.451
abond=26.7

[110Pd]
mass=109905152.385
abond=11.8

[107Ag]
mass=106905093.020
spin=0.5
abond=51.839 *
gam=-1.0889181
ref=4.047878 AgNO3/D2O

[109Ag]
mass=108904755.514
spin=0.5
abond=48.161
gam=-1.2518634
ref=4.653601 AgNO3/D2O

[106Cd]
mass=105906458.007
abond=1.22

[108Cd]
mass=107904183.403
abond=0.88

[110Cd]
mass=109903005.578
abond=12.39

[111Cd]
mass=110904181.628
spin=0.5
abond=12.75 *
gam=-5.6983131
ref=21.215478 CdMe2
abs=4529
efg=4.75

[112Cd]
mass=111902757.226
abond=24.07

[113Cd]
mass=112904400.947
spin=0.5
abond=12.22
gam=-5.9609153
ref=22.193173 CdMe2
abs=4529
efg=4.75

[114Cd]
mass=113903358.121
abond=28.86

[116Cd]
mass=115904755.434
abond=7.58

[113In]
mass=112904061.223
spin=4.5
abond=4.3 *
gam=5.8845
qm=0.80
ref=21.865654 In(NO3)3/D2O, HNO3
efg=5.7200

[115In]
mass=114903878.328
spin=4.5
abond=95.7
gam=5.8972
qm=0.83
ref=21.912525 In(NO3)3/D2O, HNO3

[112Sn]
mass=111904820.810
abond=0.95

[114Sn]
mass=113902781.816
abond=0.65

[115Sn]
mass=114903345.973
spin=0.5
abond=0.34 *
gam=-8.8013
ref=32.718746 Me4Sn

[116Sn]
mass=115901744.149
abond=14.24

[117Sn]
mass=116902953.765
spin=0.5
abond=7.68 *
gam=-9.58879
ref=35.632256 Me4Sn

[118Sn]
mass=117901606.328
abond=24.01

[119Sn]
mass=118903308.880
spin=0.5
abond=8.59
gam=-10.0317
ref=37.290629 Me4Sn
efg=11.2000

[120Sn]
mass=119902196.571
abond=32.97

[122Sn]
mass=121903440.138
abond=4.71

[124Sn]
mass=123905274.630
abond=5.98

[121Sb]
mass=120903818.044
spin=2.5
abond=57.36
gam=6.4435
qm=-0.36
ref=23.930599 KSbCl6/CH3CN
efg=13.0000

[123Sb]
mass=122904215.696
spin=3.5
abond=42.64
gam=3.4892
qm=-0.49
ref=12.958902 KSbCl6/CH3CN

[120Te]
mass=119904019.891
abond=0.089

[122Te]
mass=121903047.064
abond=2.46

[123Te]
mass=122904272.951
spin=0.5
abond=0.908 *
gam=-7.059098
ref=26.169765 Me2Te

[124Te]
mass=123902819.466
abond=4.61

[125Te]
mass=124904424.718
spin=0.5
abond=7.139
gam=-8.5108404
ref=31.549786 Me2Te
efg=15.0000

[126Te]
mass=125903305.543
abond=18.71

[128Te]
mass=127904461.383
abond=31.79

[130Te]
mass=129906222.753
abond=34.49

[127I]
mass=126904468.420
spin=2.5
abond=5100.0
gam=5.389573
qm=-0.79
ref=20.008630 KI/D2O
efg=18.0000

[124Xe]
mass=123905895.774
abond=0.096

[126Xe]
mass=125904268.868
abond=0.090

[128Xe]
mass=127903530.436
abond=1.919

[129Xe]
mass=128904779.458
spin=0.5
abond=26.44
gam=-7.452103
ref=27.808945 XeOF4 neat

[130Xe]
mass=129903507.903
abond=4.08

[131Xe]
mass=130905081.920
spin=1.5
abond=21.18
gam=2.209076
qm=-0.12
ref=8.244274 XeOF4 neat

[132Xe]
mass=131904154.457
abond=26.89

[134Xe]
mass=133905394.504
abond=10.44

[136Xe]
mass=135907219.526
abond=8.87

[133Cs]
mass=132905446.870
spin=3.5
abond=100.0
gam=3.5332539
qm=-0.003
ref=13.116207 CsNO3/D2O
efg=1.2900

[130Ba]
mass=129906310.478
abond=0.101

[132Ba]
mass=131905056.152
abond=0.097

[134Ba]
mass=133904503.347
abond=2.42

[135Ba]
mass=134905682.749
spin=1.5
abond=6.592 *
gam=2.67550
qm=-0.16
ref=9.934414 BaCl2/D2O

[136Ba]
mass=135904570.109
abond=7.81

[137Ba]
mass=136905821.414
spin=1.5
abond=11.23
gam=2.99295
qm=-0.24
ref=11.112889 BaCl2/D2O
efg=2.8500

[138Ba]
mass=137905241.273
abond=71.66

[138La]
mass=137907106.826
spin=5.0
abond=0.0902
gam=3.557239
qm=0.45
ref=13.194267 LaCl3/D2O

[139La]
mass=138906348.160
spin=3.5
abond=99.9098
gam=2.7830455
qm=0.20
ref=14.125605 LaCl3/D2O

[136Ce]
mass=135907143.574
abond=0.193

[138Ce]
mass=137905985.574
abond=0.250

[140Ce]
mass=139905434.035
abond=88.48

[142Ce]
mass=141909239.733
abond=11.07

[141Pr]
mass=140907647.726
spin=2.5
abond=100.0
gam=8.1907
qm=-0.0589

[142Nd]
mass=141907718.643
abond=27.13

[143Nd]
mass=142909809.626
spin=3.5
abond=12.18
gam=-1.457
qm=-0.63

[144Nd]
mass=143910082.629
abond=23.87

[145Nd]
mass=144912568.847
spin=3.5
abond=8.30
gam=-0.898
qm=-0.33

[146Nd]
mass=145913112.139
abond=17.18

[148Nd]
mass=147916888.516
abond=5.72

[150Nd]
mass=149920886.563
abond=5.60

[147Pm]

mass=146915133.898
[144Sm]
abond=3.16

[147Sm]
mass=146914893.275
spin=3.5
abond=15.07
gam=-1.115
qm=-0.259

[148Sm]
mass=147914817.914
abond=11.27

[149Sm]
mass=148917179.521
spin=3.5
abond=13.82
gam=-0.9192
qm=0.094

[150Sm]
mass=149917271.454
abond=7.47

[152Sm]
mass=151919728.244
abond=26.63

[154Sm]
mass=153922205.303
abond=22.53

[151Eu]
mass=150919846.022
spin=2.5
abond=47.77
gam=6.6510
qm=0.903

[153Eu]
mass=152921226.219
spin=2.5
abond=52.23
gam=2.9369
qm=2.412

[152Gd]
mass=151919787.882
abond=0.20

[154Gd]
mass=153920862.271
abond=2.15

[155Gd]
mass=154922618.801
spin=1.5
abond=14.8
gam=-0.82132
qm=1.30

[156Gd]
mass=155922119.552
abond=20.47

[157Gd]
mass=156923956.686
spin=1.5
abond=15.65
gam=-1.0769
qm=1.36

[158Gd]
mass=157924100.533
abond=24.9

[160Gd]
mass=159927050.616
abond=21.9

[159Tb]
mass=158925343.135
spin=1.5
abond=100.0
gam=6.431
qm=1.432

[156Dy]
mass=155924278.273
abond=0.0524

[158Dy]
mass=157924404.637
abond=0.0902

[160Dy]
mass=159925193.718
abond=2.294

[161Dy]
mass=160926929.595
spin=2.5
abond=18.88
gam=-0.9201
qm=2.507

[162Dy]
mass=161926794.731
abond=25.53

[163Dy]
mass=162928727.532
spin=2.5
abond=24.97
gam=1.289
qm=2.648

[164Dy]
mass=163929171.165
abond=28.18

[165Ho]
mass=164930319.169
spin=3.5
abond=100.0
gam=5.710
qm=3.49

[162Er]
mass=161928774.923
abond=0.136

[164Er]
mass=163929196.996
abond=1.56

[166Er]
mass=165930289.970
abond=33.41

[167Er]
mass=166932045.448
spin=3.5
abond=22.95
gam=-0.77157
qm=3.565

[168Er]
mass=167932367.781
abond=27.07

[170Er]
mass=169935460.334
abond=14.88

[169Tm]
mass=168934211.117
spin=0.5
abond=100.0
gam=-2.218

[168Yb]
mass=167933894.465
abond=0.140

[170Yb]
mass=169934758.652
abond=3.03

[171Yb]
mass=170936322.297
spin=0.5
abond=14.31
gam=4.7288
ref=17.499306 Yb(C5Me5)2/THF

[172Yb]
mass=171936377.696
abond=21.82

[173Yb]
mass=172938206.756
spin=2.5
abond=16.12
gam=-1.3025
qm=2.80

[174Yb]
mass=173938858.101
abond=31.84

[176Yb]
mass=175942568.409
abond=12.73

[175Lu]
mass=174940767.904
spin=3.5
abond=2.59
gam=2.1684
qm=4.92

[176Lu]
mass=175942682.399
spin=7
abond=97.41
gam=3.0552
qm=3.49

[174Hf]
mass=173940040.159
abond=0.163

[176Hf]
mass=175941401.828
abond=5.21

[177Hf]
mass=176943220.013
spin=3.5
abond=18.606
gam=1.086
qm=4.5

[178Hf]
mass=177943697.732
abond=27.1

[179Hf]
mass=178945815.073
spin=4.5
abond=13.629
gam=-0.6821
qm=3.8

[180Hf]
mass=179946548.760
abond=35.22

[180Ta]
mass=179947465.655
abond=0.0123

[181Ta]
mass=180947996.346
spin=3.5
abond=99.988
gam=3.2438
qm=3.2
ref=11.989600 KTaCl6/CH3CN

[180W]
mass=179946705.734
abond=0.135

[182W]
mass=181948205.519
abond=26.4

[183W]
mass=182950224.458
spin=0.5
abond=14.3
gam=1.1282403
ref=4.166398 Na2WO4/D2O

[184W]
mass=183950932.553
abond=30.6

[186W]
mass=185954362.204
abond=28.4

[185Re]
mass=184952955.747
spin=2.5
abond=37.40 *
gam=6.1057
qm=2.3
ref=22.524600 KReO4/D2O

[187Re]
mass=186955750.787
spin=2.5
abond=62.60
gam=6.1682
qm=2.0
ref=22.751600 KReO4/D2O

[184Os]
mass=183952490.808
abond=0.018

[186Os]
mass=185953838.355
abond=1.59

[187Os]
mass=186955747.928
spin=0.5
abond=1.64
gam=0.6192895
ref=2.282331 OsO4/CCl4

[188Os]
mass=187955835.993
abond=13.3

[189Os]
mass=188958144.866
spin=1.5
abond=16.1
gam=2.10713
qm=0.85
ref=7.765400 OsO4/CCl4

[190Os]
mass=189958445.210
abond=26.4

[192Os]
mass=191961479.047
abond=41.0

[191Ir]
mass=190960591.191
spin=1.5
abond=37.3 *
gam=0.4812
qm=0.82
ref=17.19500 No ref

[193Ir]
mass=192962923.700
spin=1.5
abond=62.7
gam=0.5227
qm=0.75
ref=18.72500 No ref

[190Pt]
mass=189959930.073
abond=0.0127

[192Pt]
mass=191961035.158
abond=0.78

[194Pt]
mass=193962663.581
abond=32.9

[195Pt]
mass=194964774.449
spin=0.5
abond=33.8
gam=5.8385
ref=21.414376 [Pt(CN)6]2-

[196Pt]
mass=195964934.884
abond=25.2

[198Pt]
mass=197967876.009
abond=7.19

[197Au]
mass=196966551.609
spin=1.5
abond=100.0
gam=0.473060
qm=0.55
ref=1.754000 No ref

[196Hg]
mass=195965814.846
abond=0.146

[198Hg]
mass=197966751.830
abond=10.02

[199Hg]
mass=198968262.489
spin=0.5
abond=16.87
gam=4.8457916
ref=17.910323 Me2Hg/C6D6

[200Hg]
mass=199968308.726
abond=23.13

[201Hg]
mass=200970285.275
spin=1.5
abond=13.18
gam=-1.788769
qm=0.39
ref=6.611400 Me2Hg neat

[202Hg]
mass=201970625.604
abond=29.8

[204Hg]
mass=203973475.640
abond=6.85

[203Tl]
mass=202972329.088
spin=0.5
abond=26.524 *
gam=15.5393338
ref=57.123200 Tl(NO3)3/D2O

[205Tl]
mass=204974412.270
spin=0.5
abond=70.746
gam=15.6921808
ref=57.633833 Tl(NO3)3/D2O
efg=11.8000

[204Pb]
mass=203973028.761
abond=1.40

[206Pb]
mass=205974449.002
abond=25.1

[207Pb]
mass=206975880.605
spin=0.5
abond=22.1
gam=5.58046
ref=20.920597 Me4Pb
efg=16.0000

[208Pb]
mass=207976635.850
abond=52.3

[209Bi]
mass=208980383.241
spin=4.5
abond=100.0
gam=4.3750
qm=-0.5
ref=16.069287 Bi(NO3)3/D2O, HNO3
efg=24.6000

[210Po]

mass=209982857.396
[210At]

[222Rn]

mass=222017570.472
[223Fr]

[226Ra]

mass=226025402.555
[227Ac]

[232Th]
mass=232038050.360
abond=100

[231Pa]

mass=231035878.898
[234U]
abond=0.0056

[235U]
mass=235043923.062
spin=3.5
abond=0.720
gam=-0.52
qm=4.93

[238U]
mass=238050782.583
abond=99.276

[237Np]
mass=237048167.253
abond=-6.7533264e13

[238Pu]
mass=238049553.400
abond=-2.7139536e9

[239Pu]
mass=239052156.519
abond=-7.7000544e11

[242Pu]
mass=242058736.847
abond=-1.1991888e13

[244Pu]
mass=244064197.650
abond=-2.524608e15

[241Am]
mass=241056822.944
abond=-1.36644408e10

[243Am]
mass=243061372.686
abond=-2.3352624e11

[242Cm]
mass=242058829.326
abond=-1.40832e7

[244Cm]
mass=244062746.349
abond=-5.5541376e8

[247Cm]
mass=247070346.811
abond=-5.049216e14

[248Cm]
mass=248072342.247
abond=-1.4832072e13

[249Bk]
mass=249074979.937
abond=-9.9090864e9

[249Cf]
mass=249074846.818
abond=-1.1360736e10

[252Cf]
mass=252081619.582
abond=-8.362764e7

[253Es]
mass=253084817.974
abond=-1.728e6

[257Fm]
mass=257095098.635
abond=-6.912e6

[256Md]
mass=256094052.757
abond=-5400

[256Md]
mass=256094052.757
abond=-4.6656e6

[259No]
mass=259101024#   
abond=-5400

[260Lr]
mass=260105572#   
abond=-180

[261Rf]
mass=261116199#   
abond=-70

[262Ha]
abond=-40

[263Sg]
abond=-0.9

_solvents
[1,4-dioxane]
d=1.033 mw=88.11

[EtOH]
d=0.789 mw=46.07

_valence_param_atoms
Ac 3   O  -2    2.24     0.37     b   ?
Ac 3   O  -2    2.29     0.35     p   ?
Ac 3   F  -1    2.13     0.37     b   ?
Ac 3   F  -1    2.10     0.40     p   ?
Ac 3   Cl -1    2.63     0.37     b   ?  
Ac 3   Cl -1    2.60     0.40     p   ?
Ac 3   Br -1    2.75     0.40     p   ?
Ag 1   O  -2    1.842    0.37     a   ? 
Ag 1   O  -2    1.805    0.37     b   ?
Ag 1   S  -2    2.119    0.37     a   ? 
Ag 1   F  -1    1.80     0.37     b   ? 
Ag 1   Cl -1    2.09     0.37     b   ?
Ag 2   F  -1    1.79     0.37     e   unchecked
Ag 3   F  -1    1.83     0.37     e   unchecked
Ag 9   Br -1    2.22     0.37     b   ?  
Ag 9   I  -1    2.38     0.37     b   ?
Ag 9   Se -2    2.26     0.37     b   ? 
Ag 9   Te -2    2.51     0.37     b   ?
Ag 9   N  -3    1.85     0.37     b   ?
Ag 9   P  -3    2.22     0.37     b   ?
Ag 9   As -3    2.30     0.37     b   ?
Ag 9   H  -1    1.50     0.37     b   ?
Al 3   O  -2    1.620    0.37     e   ?
Al 3   O  -2    1.644    0.38     o   ? 
Al 3   S  -2    2.21     0.37     e   unchecked
Al 3   S  -2    2.13     0.37     b   ?
Al 3   Se -2    2.27     0.37     b   ?
Al 3   Te -2    2.48     0.37     b   ? 
Al 3   F  -1    1.545    0.37     a   ?  
Al 3   Cl -1    2.032    0.37     a   ? 
Al 3   Br -1    2.20     0.37     b   ?
Al 3   I  -1    2.41     0.37     b   ? 
Al 3   N  -3    1.79     0.37     b   ?
Al 3   P  -3    2.24     0.37     b   ?
Al 3   As -3    2.30     0.37     b   ?
Al 3   H  -1    1.45     0.37     b   ?
Am 3   O  -2    2.11     0.37     b   ?           
Am 3   O  -2    2.13     0.35     p   ?
Am 3   F  -1    2.00     0.37     b   ? 
Am 3   F  -1    1.98     0.40     p   ?
Am 3   Cl -1    2.48     0.37     b   ?
Am 3   Cl -1    2.45     0.40     p   ?
Am 3   Br -1    2.59     0.40     p   ?
Am 4   O  -2    2.08     0.37     p   ?
Am 4   O  -2    2.12     0.37     e   unchecked
Am 4   F  -1    1.96     0.40     p   ?
Am 5   O  -2    2.07     0.35     p   ?
Am 5   F  -1    1.95     0.40     p   ?
Am 6   O  -2    2.05     0.35     p   ?
Am 6   F  -1    1.95     0.40     p   ?
Am 5   O  -2    2.12     0.37     e   unchecked
As 2   S  -2    2.24     0.37     e   unchecked
As 2   Se -2    2.38     0.37     e   unchecked
As 3   O  -2    1.789    0.37     a   ?
As 3   S  -2    2.272    0.37     a   ? 
As 3   Se -2    2.40     0.37     e   unchecked 
As 3   Te -2    2.65     0.37     e   unchecked
As 3   F  -1    1.70     0.37     b   ?
As 3   Cl -1    2.16     0.37     b   ? 
As 3   Br -1    2.35     0.37     e   unchecked
As 3   I  -1    2.58     0.37     e   unchecked
As 3   C  -4    1.93     0.37     b   ?
As 5   O  -2    1.767    0.37     a   ?
As 5   S  -2    2.28     0.37     e   unchecked
As 5   F  -1    1.620    0.37     a   ?
As 5   Cl -2    2.14     0.37     b   ?
Au 1   Cl -1    2.02     0.37     e   unchecked 
Au 1   I  -1    2.35     0.37     e   unchecked
Au 3   O  -2    1.89     0.37     e   ?
Au 3   O  -2    1.833    0.37     b   ?
Au 3   S  -2    2.39     0.35     e   unchecked 
Au 3   F  -1    1.89     0.37     e   unchecked
Au 3   F  -1    1.81     0.37     b   ?
Au 3   Cl -1    2.17     0.37     b   ? 
Au 3   Br -1    2.32     0.37     e   unchecked
Au 3   I  -1    2.54     0.37     e   unchecked
Au 3   N  -3    1.94     0.35     e   unchecked
Au 5   F  -1    1.80     0.37     e   unchecked
Au 9   S  -2    2.03     0.37     b   ?
Au 9   Se -2    2.18     0.37     b   ?
Au 9   Te -2    2.41     0.37     b   ?
Au 9   Br -1    2.12     0.37     b   ?
Au 9   I  -1    2.34     0.37     b   ? 
Au 9   N  -3    1.72     0.37     b   ?
Au 9   P  -3    2.14     0.37     b   ?
Au 9   As -3    2.22     0.37     b   ?
Au 9   H  -1    1.37     0.37     b   ?
B  3   O  -2    1.371    0.37     a   ? 
B  3   S  -2    1.77     0.37     e   unchecked
B  3   S  -2    1.82     0.37     b   ?
B  3   Se -2    1.95     0.37     b   ? 
B  3   Te -2    2.20     0.37     b   ?
B  3   F  -1    1.281    0.37     a   ?
B  3   F  -1    1.31     0.37     b   ? 
B  3   Cl -1    1.74     0.37     b   ? 
B  3   Br -1    1.88     0.37     b   ? 
B  3   I  -1    2.10     0.37     b   ? 
B  3   N  -3    1.47     0.37     b   ?
B  3   P  -3    1.88     0.37     b   ?
B  3   As -3    1.97     0.37     b   ?
B  3   H  -1    1.14     0.37     b   ? 
B  3   B   3    1.402    0.37     e   unchecked
Ba 2   O  -2    2.285    0.37     a   ?
Ba 2   S  -2    2.769    0.37     a   ? 
Ba 2   Se -2    2.88     0.37     b   ?
Ba 2   Te -2    3.08     0.37     b   ? 
Ba 2   F  -1    2.188    0.37     a   ? 
Ba 2   Cl -1    2.69     0.37     b   ? 
Ba 2   Br -1    2.88     0.37     b   ? 
Ba 2   I  -1    3.13     0.37     b   ? 
Ba 2   N  -3    2.47     0.37     b   ?
Ba 2   P  -3    2.88     0.37     b   ?
Ba 2   As -3    2.96     0.37     b   ?
Ba 2   H  -1    2.22     0.37     b   ?
Be 2   O  -2    1.381    0.37     a   ? 
Be 2   S  -2    1.83     0.37     b   ? 
Be 2   Se -2    1.97     0.37     b   ? 
Be 2   Te -2    2.21     0.37     b   ?
Be 2   F  -1    1.281    0.37     a   ? 
Be 2   Cl -1    1.76     0.37     b   ? 
Be 2   Br -1    1.90     0.37     b   ? 
Be 2   I  -1    2.10     0.37     b   ? 
Be 2   N  -3    1.50     0.37     b   ?
Be 2   P  -3    1.95     0.37     b   ?
Be 2   As -3    2.00     0.37     b   ?
Be 2   H  -1    1.11     0.37     b   ?
Bi 3   O  -2    2.094    0.37     a   ? 
Bi 3   S  -2    2.570    0.37     a   ? 
Bi 2   Se -2    2.70     0.35     e   unchecked 
Bi 3   F  -1    1.99     0.37     b   ?
Bi 3   Cl -1    2.48     0.37     b   ? 
Bi 3   Cl -1    2.40     0.37     e   unchecked 
Bi 3   Br -1    2.59     0.37     e   unchecked
Bi 3   I  -1    2.82     0.37     e   unchecked
Bi 3   N  -3    2.02     0.35     e   unchecked
Bi 5   O  -2    2.06     0.37     b   ?
Bi 5   F  -1    1.97     0.37     b   ? 
Bi 5   Cl -1    2.44     0.37     b   ?
Bi 9   Br -1    2.62     0.37     b   ?
Bi 9   I  -1    2.84     0.37     b   ?
Bi 9   S  -2    2.55     0.37     b   ?
Bi 9   Se -2    2.72     0.37     b   ?
Bi 9   Te -2    2.87     0.37     b   ?
Bi 9   N  -3    2.24     0.37     b   ?
Bi 9   P  -3    2.63     0.37     b   ?
Bi 9   As -3    2.72     0.37     b   ?
Bi 9   H  -1    1.97     0.37     b   ?
Bk 3   O  -2    2.08     0.37     b   ?
Bk 3   O  -2    2.10     0.35     p   ?
Bk 3   F  -1    1.96     0.37     b   ?
Bk 3   F  -1    1.95     0.40     p   ?
Bk 3   Cl -1    2.35     0.37     e   unchecked
Bk 3   Cl -1    2.46     0.37     b   ?
Bk 3   Cl -1    2.42     0.40     p   ?
Bk 3   Br -1    2.56     0.40     p   ?
Bk 4   O  -2    2.07     0.35     p   ?
Bk 4   F  -1    1.93     0.40     p   ?
Br 3   O  -2    1.90     0.37     e   unchecked           
Br 3   F  -1    1.75     0.37     e   unchecked
Br 5   O  -2    1.84     0.37     e   unchecked
Br 5   F  -1    1.76     0.37     e   unchecked
Br 7   O  -2    1.81     0.37     b   ?
Br 7   F  -1    1.72     0.37     b   ?
Br 7   Cl -1    2.19     0.37     b   ?
C  2   O  -2    1.366    0.37     e   unchecked                   
C  2   Cl -1    1.410    0.37     e   unchecked
C  4   O  -2    1.390    0.37     a   ?
C  4   O  -2    1.40     0.26     o   ? 
C  4   C   4    1.54     0.37     e   ?
C  4   S  -2    1.80     0.37     e   unchecked
C  4   F  -1    1.32     0.37     b   ?
C  4   F  -1    1.41     0.37     e   unchecked
C  4   Cl -1    1.76     0.37     b   ?
C  4   Br -1    1.91     0.37     e   unchecked 
C  4   N  -3    1.442    0.37     a   ?
C  9   Se -2    1.97     0.37     b   ?
C  9   I  -1    2.12     0.37     b   ?
C  9   Br -1    1.90     0.37     b   ?
C  9   S  -2    1.82     0.37     b   ?
C  9   Te -2    2.21     0.37     b   ?
C  9   N  -3    1.47     0.37     b   ?
C  9   P  -3    1.89     0.37     b   ?
C  9   As -3    1.99     0.37     b   ?
C  9   H  -1    1.10     0.37     b   ?
Ca 2   O  -2    1.967    0.37     a   ? 
Ca 2   O  -2    1.896    0.41     o   ? 
Ca 2   S  -2    2.45     0.37     b   ? 
Ca 2   Se -2    2.56     0.37     b   ?
Ca 2   Te -2    2.76     0.37     b   ? 
Ca 2   F  -1    1.842    0.37     a   ? 
Ca 2   Cl -1    2.37     0.37     b   ? 
Ca 2   Br -1    2.507    0.37     e   unchecked
Ca 2   Br -1    2.49     0.37     b   ?
Ca 2   I  -1    2.72     0.37     b   ? 
Ca 2   N  -3    2.14     0.37     b   ? 
Ca 2   P  -3    2.55     0.37     b   ?
Ca 2   As -3    2.62     0.37     b   ?
Ca 2   H  -1    1.83     0.37     b   ?
Cd 2   O  -2    1.904    0.37     a   ?
Cd 2   S  -2    2.304    0.37     a   ? 
Cd 2   Se -2    2.40     0.37     b   ?
Cd 2   Te -2    2.59     0.37     b   ? 
Cd 2   F  -1    1.811    0.37     b   ? 
Cd 2   Cl -1    2.212    0.37     a   ?
Cd 2   Cl -1    2.23     0.37     b   ? 
Cd 2   Br -1    2.35     0.37     b   ?
Cd 2   I  -1    2.57     0.37     b   ?
Cd 2   I  -1    2.60     0.37     e   unchecked
Cd 2   N  -3    1.96     0.37     b   ?
Cd 2   P  -3    2.34     0.37     b   ?
Cd 2   As -3    2.43     0.37     b   ?
Cd 2   H  -1    1.66     0.37     b   ?
Ce 3   O  -2    2.151    0.37     b   ?
Ce 3   O  -2    2.121    0.37     ab  'in trans-metal complexes'
Ce 3   O  -2    2.116    0.37     ae  'in trans-metal complexes'
Ce 3   S  -2    2.65     0.37     e   unchecked
Ce 3   F  -1    2.036    0.37     b   ?
Ce 3   F  -1    2.00     0.40     p   ?
Ce 3   Cl -1    2.52     0.37     b   ?
Ce 3   Cl -1    2.49     0.40     p   ?
Ce 3   Br -1    2.65     0.35     e   ?
Ce 3   Br -1    2.65     0.40     p   ?
Ce 3   I  -1    2.87     0.40     p   ?
Ce 4   O  -2    2.028    0.37     b   ?
Ce 4   O  -2    2.068    0.37     ab  'in organic compounds'
Ce 4   S  -2    2.65     0.35     e   unchecked
Ce 4   F  -1    1.995    0.37     b   ?
Ce 4   F  -1    1.97     0.40     p   ?
Ce 9   Cl -1    2.41     0.37     b   ?
Ce 9   Br -1    2.69     0.37     b   ?
Ce 9   I  -1    2.92     0.37     b   ? 
Ce 9   S  -2    2.62     0.37     b   ?
Ce 9   Se -2    2.74     0.37     b   ? 
Ce 9   Te -2    2.92     0.37     b   ?
Ce 9   N  -3    2.254    0.37     ah  ?
Ce 9   N  -3    2.34     0.37     b   ?
Ce 9   P  -3    2.70     0.37     b   ?
Ce 9   As -3    2.78     0.37     b   ?
Ce 9   H  -1    2.04     0.37     b   ?
Cf 3   O  -2    2.07     0.37     b   ?
Cf 3   F  -1    1.95     0.37     b   ?
Cf 3   F  -1    1.94     0.40     p   ?
Cf 3   Cl -1    2.45     0.37     b   ?
Cf 3   Cl -1    2.41     0.40     p   ?
Cf 3   Br -1    2.55     0.40     p   ?
Cf 4   O  -2    2.06     0.35     p   ?
Cf 4   F  -1    1.92     0.40     p   ?
Cl 3   O  -2    1.71     0.37     e   unchecked      
Cl 3   F  -1    1.69     0.37     e   unchecked
Cl 5   O  -2    1.67     0.37     e   unchecked
Cl 7   O  -2    1.632    0.37     a   ?   
Cl 7   F  -1    1.55     0.37     b   ? 
Cl 7   Cl -1    2.00     0.37     b   ?
Cf 3   Cl -1    2.45     0.37     b   ?
Cm 3   O  -2    2.23     0.37     b   ?
Cm 3   O  -2    2.12     0.35     p   ?
Cm 3   F  -1    2.12     0.37     b   ?
Cm 3   F  -1    1.96     0.40     p   ?
Cm 3   Cl -1    2.62     0.37     b   ?
Cm 3   Cl -1    2.44     0.40     p   ?
Cm 4   O  -2    2.08     0.35     p   ?
Cm 4   F  -1    1.94     0.40     p   ?
Co 1   H  -1    1.000    0.35     e   unchecked
Co 2   O  -2    1.692    0.37     a   ?
Co 2   O  -2    1.685    0.37     i   'from transition metal complexes'
Co 2   S  -2    1.94     0.37     e   unchecked
Co 2   F  -1    1.64     0.37     b   ?
Co 2   Cl -1    2.033    0.37     a   ?
Co 2   Cl -1    2.01     0.37     b   ? 
Co 2   N  -3    1.65     0.37     e   unchecked
Co 3   O  -2    1.637    0.37     i   'from transition metal complexes'
Co 3   O  -2    1.70     0.37     b   ? 
Co 3   S  -2    2.02     0.37     e   unchecked 
Co 3   F  -1    1.62     0.37     b   ?
Co 3   Cl -1    2.05     0.37     b   ?           
Co 3   N  -3    1.75     0.37     e   unchecked
Co 3   C   2    1.634    0.37     b   ?
Co 4   O  -2    1.72     0.37     e   unchecked      
Co 4   F  -1    1.55     0.37     e   unchecked
Co 9   O  -2    1.655    0.42     o   ?
Co 9   Br -1    2.18     0.37     b   ? 
Co 9   I  -1    2.37     0.35     b   ? 
Co 9   S  -2    2.06     0.37     b   ?
Co 9   Se -2    2.24     0.37     b   ? 
Co 9   Te -2    2.46     0.37     b   ?
Co 9   N  -3    1.84     0.37     b   ?
Co 9   P  -3    2.21     0.37     b   ?
Co 9   As -3    2.28     0.37     b   ?
Co 9   H  -1    1.44     0.37     b   ?
Cr 2   O  -2    1.73     0.37     b   ?
Cr 2   F  -1    1.67     0.37     b   ?
Cr 2   F  -1    1.74     0.37     e   unchecked
Cr 2   Cl -1    2.09     0.37     b   ?
Cr 2   Br -1    2.26     0.37     e   unchecked
Cr 2   I  -1    2.48     0.37     e   unchecked
Cr 2   N  -3    1.83     0.35     e   unchecked
Cr 3   O  -2    1.724    0.37     a   ?
Cr 3   O  -2    1.708    0.37     w   'from transition metal complexes'
Cr 3   S  -2    2.162    0.37     e   unchecked
Cr 3   F  -1    1.657    0.37     a   ?
Cr 3   F  -1    1.64     0.37     b   ?
Cr 3   Cl -1    2.08     0.37     b   ? 
Cr 3   Br -1    2.28     0.37     e   unchecked
Cr 3   N  -3    1.81     0.37     e   unchecked
Cr 4   O  -2    1.81     0.37     e   unchecked
Cr 4   F  -1    1.56     0.37     e   unchecked
Cr 5   O  -2    1.76     0.37     w   'from transition metal complexes'
Cr 5   O  -2    1.78     0.37     e   unchecked
Cr 6   O  -2    1.794    0.37     a   ?   
Cr 6   F  -1    1.74     0.37     b   ? 
Cr 6   Cl -1    2.12     0.37     b   ?
Cr 9   O  -2    1.79     0.34     o   ?
Cr 9   O  -2    1.724    0.37     w   'from transition metal complexes'
Cr 9   Br -1    2.26     0.37     b   ?
Cr 9   I  -1    2.45     0.37     b   ? 
Cr 9   S  -2    2.18     0.37     b   ?
Cr 9   Se -2    2.29     0.37     b   ? 
Cr 9   Te -2    2.52     0.37     b   ?
Cr 9   N  -3    1.85     0.37     b   ?
Cr 9   P  -3    2.27     0.37     b   ?
Cr 9   As -3    2.34     0.37     b   ?
Cr 9   H  -1    1.52     0.37     b   ?
Cs 1   O  -2    2.417    0.37     a   ?
Cs 1   O  -2    2.2862   0.408    c   '7 A cut-off' 
Cs 1   S  -2    2.89     0.37     b   ?
Cs 1   S  -2    2.5253   0.517    c   '7 A cut-off'
Cs 1   S  -2    2.93     0.37     e   unchecked
Cs 1   Se -2    2.98     0.37     b   ?
Cs 1   Se -2    2.6424   0.553    c   '7 A cut-off'
Cs 1   Te -2    3.16     0.37     b   ?
Cs 1   Te -2    2.7647   0.603    c   '8 A cut-off'
Cs 1   F  -1    2.33     0.37     b   ?
Cs 1   F  -1    2.1980   0.410    c   '7 A cut-off'
Cs 1   F  -1    2.38     0.37     e   unchecked
Cs 1   Cl -1    2.791    0.37     a   ?
Cs 1   Cl -1    2.4715   0.495    c   '7 A cut-off'
Cs 1   Br -1    2.95     0.37     b   ?
Cs 1   Br -1    2.5035   0.543    c   '7 A cut-off'
Cs 1   I  -1    3.18     0.37     b   ? 
Cs 1   I  -1    2.6926   0.609    c   '8 A cut-off'
Cs 1   I  -1    3.29     0.37     e   unchecked
Cs 1   N  -3    2.83     0.37     e   unchecked
Cs 1   N  -3    2.53     0.37     b   ?
Cs 1   P  -3    2.93     0.37     b   ? 
Cs 1   As -3    3.04     0.37     b   ? 
Cs 1   H  -1    2.44     0.37     b   ? 
Cu 1   O  -2    1.610    0.37     e   unchecked
Cu 1   O  -2    1.504    0.37     l   'from transition metal complexes'
Cu 1   S  -2    1.898    0.37     a   ?
Cu 1   S  -2    1.811    0.37     l   'from transition metal complexes'
Cu 1   Se -2    1.900    0.37     l   'from transition metal complexes'
Cu 1   F  -1    1.6      0.37     b   ? 
Cu 1   Cl -1    1.858    0.37     l   'from transition metal complexes'
Cu 1   Cl -1    1.89     0.37     e   unchecked
Cu 1   Br -1    2.03     0.37     e   unchecked
Cu 1   I  -1    2.108    0.37     a   ?
Cu 1   I  -1    2.155    0.37     l   'from transition metal complexes'
Cu 1   N  -3    1.520    0.37     l   '3-coordinate N'
Cu 1   N  -3    1.480    0.37     l   '2-coordinate N'
Cu 1   N  -3    1.630    0.37     l   '4-coordinate N'
Cu 1   P  -3    1.774    0.37     l   'from transition metal complexes'
Cu 1   As -3    1.856    0.37     l   'from transition metal complexes'
Cu 1   C  -4    1.446    0.37     l   'from transition metal complexes'
Cu 2   O  -2    1.679    0.37     a   ?
Cu 2   O  -2    1.649    0.37     j   'from transition metal complexes'
Cu 2   O  -2    1.655    0.37     l   'from transition metal complexes'
Cu 2   S  -2    2.054    0.37     a   ?
Cu 2   S  -2    2.060    0.37     j   'from transition metal complexes'
Cu 2   S  -2    2.024    0.37     l   'from transition metal complexes'
Cu 2   S  -2    1.86     0.37     b   ? 
Cu 2   Se -2    2.02     0.37     b   ?
Cu 2   Se -2    2.124    0.37     l   ? 
Cu 2   Te -2    2.27     0.37     b   ? 
Cu 2   F  -1    1.594    0.37     a   ?
Cu 2   Cl -1    2.00     0.37     b   ?      
Cu 2   Br -1    1.99     0.37     b   ?
Cu 2   Br -1    2.134    0.37     l   'from transition metal complexes'
Cu 2   I  -1    2.16     0.37     b   ?
Cu 2   I  -1    2.36     0.37     l   'from transition metal complexes'
Cu 2   N  -3    1.751    0.37     j   'from transition metal complexes'
Cu 2   N  -3    1.713    0.37     l   'from transition metal complexes'
Cu 2   N  -3    1.61     0.37     b   ?
Cu 2   N  -3    1.709    0.37     l   '2-coordinate N'
Cu 2   N  -3    1.704    0.37     l   '3-coordinate N'
Cu 2   N  -3    1.763    0.37     l   '4-coordinate N'
Cu 2   P  -3    1.97     0.37     b   ?
Cu 2   P  -3    2.05     0.37     l   'from transition metal complexes'
Cu 2   As -3    2.08     0.37     b   ?
Cu 2   C  -4    1.72     0.37     l   'from transition metal complexes'
Cu 2   H  -1    1.21     0.37     b   ? 
Cu 3   O  -2    1.735    0.37     t   ?
Cu 3   O  -2    1.739    0.37     e   unchecked      
Cu 3   F  -1    1.58     0.37     e   unchecked
Cu 3   Cl -1    2.078    0.37     l   'from transition metal complexes'
Cu 3   N  -3    1.768    0.37     l   'from transition metal complexes'
Cu 3   N  -3    1.753    0.37     t   ?
Cu 3   C  -4    1.84     0.37     l   'from transition metal complexes'
Dy 2   O  -2    1.90     0.37     e   unchecked
Dy 3   O  -2    2.001    0.37     a   ?
Dy 3   O  -2    2.005    0.37     ae  'from transition metal complexes'
Dy 3   F  -1    1.922    0.37     b   ?
Dy 3   F  -1    1.89     0.40     p   ?
Dy 3   Cl -1    2.41     0.37     b   ?
Dy 3   Cl -1    2.38     0.40     p   ?
Dy 3   Br -1    2.53     0.40     p   ?
Dy 3   I  -1    2.76     0.40     p   ?
Dy 9   Br -1    2.56     0.37     b   ?
Dy 9   I  -1    2.77     0.37     b   ?
Dy 9   S  -2    2.47     0.37     b   ? 
Dy 9   Se -2    2.61     0.37     b   ? 
Dy 9   Te -2    2.80     0.37     b   ?
Dy 9   N  -3    2.124    0.37     ah  ?
Dy 9   N  -3    2.18     0.37     b   ?
Dy 9   P  -3    2.57     0.37     b   ?
Dy 9   As -3    2.64     0.37     b   ?
Dy 9   H  -1    1.89     0.37     b   ?
Er 2   O  -2    1.88     0.37     e   unchecked
Er 2   S  -2    2.52     0.37     e   unchecked
Er 3   O  -2    1.988    0.37     a   ?
Er 3   O  -2    2.010    0.37     b   ?
Er 3   O  -2    1.979    0.37     ae  'from transition metal complexes'
Er 3   S  -2    2.52     0.37     e   unchecked
Er 3   Se -2    2.58     0.37     e   unchecked
Er 3   F  -1    1.904    0.37     a   ?
Er 3   F  -1    1.87     0.40     p   ?
Er 3   Cl -1    2.39     0.37     b   ?
Er 3   Cl -1    2.36     0.40     p   ?
Er 3   Br -1    2.51     0.40     p   ?
Er 3   I  -1    2.75     0.40     p   ?
Er 9   Br -1    2.54     0.37     b   ? 
Er 9   I  -1    2.75     0.37     b   ? 
Er 9   S  -2    2.46     0.37     b   ? 
Er 9   Se -2    2.59     0.37     b   ? 
Er 9   Te -2    2.78     0.37     b   ?
Er 9   N  -3    2.086    0.37     ah  ?
Er 9   N  -3    2.16     0.37     b   ?
Er 9   P  -3    2.55     0.37     b   ? 
Er 9   As -3    2.63     0.37     b   ? 
Er 9   H  -1    1.86     0.37     b   ?
Es 3   O  -2    2.08     0.35     p   ? 
Eu 2   O  -2    2.147    0.37     b   ?
Eu 2   S  -2    2.584    0.37     a   ?
Eu 2   F  -1    2.04     0.37     b   ? 
Eu 2   Cl -1    2.53     0.37     b   ? 
Eu 2   Br -1    2.67     0.37     e   unchecked
Eu 2   I  -1    2.90     0.37     e   unchecked
Eu 2   N  -3    2.34     0.37     e   unchecked
Eu 3   O  -2    2.074    0.37     a   ?
Eu 3   O  -2    2.038    0.37     ae  'from transition metal complexes'
Eu 3   S  -2    2.58     0.35     e   unchecked
Eu 3   F  -1    1.961    0.37     b   ?
Eu 3   F  -1    1.93     0.40     p   ?
Eu 3   Cl -1    2.48     0.37     e   unchecked
Eu 3   Cl -1    2.42     0.40     p   ?
Eu 3   Br -1    2.57     0.40     p   ?
Eu 3   I  -1    2.79     0.40     p   ?
Eu 9   Br -1    2.61     0.37     b   ? 
Eu 9   I  -1    2.83     0.37     b   ? 
Eu 9   S  -2    2.53     0.37     b   ? 
Eu 9   Se -2    2.66     0.37     b   ? 
Eu 9   Te -2    2.85     0.37     b   ?
Eu 9   N  -3    2.161    0.37     ah  ?  
Eu 9   N  -3    2.24     0.37     b   ? 
Eu 9   P  -3    2.62     0.37     b   ? 
Eu 9   As -3    2.70     0.37     b   ? 
Eu 9   H  -1    1.95     0.37     b   ? 
Fe 2   O  -2    1.734    0.37     a   ?
Fe 2   O  -2    1.713    0.37     h   ?
Fe 2   O  -2    1.700    0.37     j   ?
Fe 2   S  -2    2.12     0.37     e   unchecked
Fe 2   S  -2    2.125    0.37     j   'from transition metal complexes'
Fe 2   F  -1    1.65     0.37     b   ?
Fe 2   Cl -1    2.06     0.37     b   ?
Fe 2   Cl -1    2.15     0.37     e   unchecked
Fe 2   Br -1    2.21     0.35     e   unchecked
Fe 2   I  -1    2.47     0.35     e   ?
Fe 2   N  -3    1.769    0.37     j   'from transition metal complexes'
Fe 3   O  -2    1.759    0.37     a   ?
Fe 3   O  -2    1.751    0.37     h   'from transition metal complexes'
Fe 3   O  -2    1.765    0.37     j   'from transition metal complexes'
Fe 3   S  -2    2.149    0.37     a   ?
Fe 3   S  -2    2.134    0.37     j   ?
Fe 3   F  -1    1.679    0.37     a   ? 
Fe 3   Cl -1    2.09     0.37     b   ?
Fe 3   Cl -1    2.15     0.37     e   unchecked 
Fe 3   N  -3    1.815    0.37     j   'from transition metal complexes'
Fe 3   C   2    1.689    0.37     a   ?
Fe 4   S  -2    2.23     0.35     e   unchecked
Fe 6   O  -2    1.76     0.35     e   unchecked
Fe 9   O  -2    1.795    0.30     ag  'for all oxidation states'
Fe 9   O  -2    1.74     0.38     o   ?
Fe 9   Br -1    2.26     0.37     b   ?
Fe 9   I  -1    2.47     0.37     b   ?
Fe 9   S  -2    2.16     0.37     b   ?
Fe 9   Se -2    2.28     0.37     b   ?
Fe 9   Te -2    2.53     0.37     b   ?
Fe 9   N  -3    1.86     0.37     b   ?
Fe 9   P  -3    2.27     0.37     b   ?
Fe 9   As -3    2.35     0.37     b   ?
Fe 9   H  -1    1.53     0.37     b   ?
Ga 1   Se -1    2.55     0.37     e   unchecked
Ga 3   O  -2    1.730    0.37     a   ?
Ga 3   S  -2    2.163    0.37     a   ? 
Ga 3   F  -1    1.62     0.37     b   ?
Ga 3   F  -1    1.69     0.37     e   unchecked
Ga 3   Cl -1    2.07     0.37     b   ?
Ga 3   Br -1    2.20     0.35     e   ? 
Ga 3   I  -1    2.46     0.37     e   unchecked
Ga 9   Br -1    2.24     0.37     b   ?
Ga 9   I  -1    2.45     0.37     b   ?
Ga 9   S  -2    2.17     0.37     b   ?
Ga 9   Se -2    2.30     0.37     b   ?
Ga 9   Te -2    2.54     0.37     b   ?
Ga 9   N  -3    1.84     0.37     b   ?
Ga 9   P  -3    2.26     0.37     b   ?
Ga 9   As -3    2.34     0.37     b   ?
Ga 9   H  -1    1.51     0.37     b   ?
Gd 2   O  -2    2.01     0.37     e   unchecked
Gd 2   F  -1    2.40     0.37     e   unchecked
Gd 3   O  -2    2.065    0.37     b   ?
Gd 3   O  -2    2.031    0.37     ae  'from transition metal complexes'
Gd 3   S  -2    2.53     0.37     e   unchecked
Gd 3   F  -1    1.95     0.37     b   ?
Gd 3   F  -1    1.92     0.40     p   ?
Gd 3   Cl -1    2.445    0.37     b   ?
Gd 3   Cl -1    2.41     0.40     p   ?
Gd 3   Cl -1    2.47     0.37     e   unchecked
Gd 3   Br -1    2.56     0.40     p   ?
Gd 3   I  -1    2.78     0.40     p   ?
Gd 9   Br -1    2.60     0.37     b   ?
Gd 9   I  -1    2.82     0.37     b   ?
Gd 9   S  -2    2.53     0.37     b   ?
Gd 9   Se -2    2.65     0.37     b   ? 
Gd 9   Te -2    2.84     0.37     b   ?
Gd 9   N  -3    2.146    0.37     ah  ?
Gd 9   N  -3    2.22     0.37     b   ?
Gd 9   N  -3    2.10     0.37     e   ?
Gd 9   P  -3    2.61     0.37     b   ?
Gd 9   As -3    2.68     0.37     b   ?
Gd 9   H  -1    1.93     0.37     b   ?
Ge 4   O  -2    1.748    0.37     a   ?
Ge 4   S  -2    2.217    0.37     a   ? 
Ge 4   Se -2    2.35     0.37     e   unchecked
Ge 4   F  -1    1.66     0.37     b   ?
Ge 4   Cl -1    2.14     0.37     b   ? 
Ge 9   Br -1    2.30     0.37     b   ? 
Ge 9   I  -1    2.50     0.37     b   ? 
Ge 9   S  -2    2.23     0.37     b   ? 
Ge 9   Se -2    2.35     0.37     b   ?  
Ge 9   Te -2    2.56     0.37     b   ? 
Ge 9   N  -3    1.88     0.37     b   ?
Ge 9   P  -3    2.32     0.37     b   ? 
Ge 9   As -3    2.43     0.37     b   ? 
Ge 9   H  -1    1.55     0.37     b   ?
H  1   O  -2    0.569    0.94     e   '1.05<O-H<1.70 A, best general value'
H  1   O  -2    0.907    0.28     e   'O-H < 1.05 A'
H  1   O  -2    0.990    0.59     e   '1.70 A < O-H'
Hf 3   F  -1    2.62     0.37     e   unchecked
Hf 4   O  -2    1.923    0.37     b   ?
Hf 4   F  -1    1.85     0.37     b   ? 
Hf 4   F  -1    1.82     0.40     p   ? 
Hf 4   Cl -1    2.24     0.37     e   unchecked
Hf 4   Cl -1    2.30     0.37     b   ?
Hf 9   Br -1    2.47     0.37     b   ? 
Hf 9   S  -2    2.39     0.37     b   ? 
Hf 9   Se -2    2.52     0.37     b   ? 
Hf 9   Te -2    2.72     0.37     b   ? 
Hf 9   I  -1    2.68     0.37     b   ? 
Hf 9   N  -3    2.09     0.37     b   ?
Hf 9   P  -3    2.48     0.37     b   ? 
Hf 9   As -3    2.56     0.37     b   ? 
Hf 9   H  -1    1.78     0.37     b   ? 
Hg 1   O  -2    1.90     0.37     b   ? 
Hg 1   F  -1    1.81     0.37     b   ? 
Hg 1   Cl -1    2.28     0.37     b   ? 
Hg 2   O  -2    1.972    0.37     a   ?
Hg 2   O  -2    1.93     0.37     b   ? 
Hg 2   S  -2    2.308    0.37     a   ? 
Hg 2   F  -1    2.17     0.37     e   unchecked
Hg 2   F  -1    1.90     0.37     b   ?
Hg 2   Cl -1    2.28     0.37     e   ?
Hg 2   Cl -1    2.25     0.37     b   ? 
Hg 2   Br -1    2.38     0.37     e   unchecked
Hg 2   I  -1    2.62     0.37     e   unchecked
Hg 9   Br -1    2.40     0.37     b   ?
Hg 9   I  -1    2.59     0.37     b   ? 
Hg 9   S  -2    2.32     0.37     b   ? 
Hg 9   Se -2    2.47     0.37     b   ? 
Hg 9   Te -2    2.61     0.37     b   ? 
Hg 9   N  -3    2.02     0.37     b   ? 
Hg 9   P  -3    2.42     0.37     b   ? 
Hg 9   As -3    2.50     0.37     b   ? 
Hg 9   H  -1    1.71     0.37     b   ?
Hg 2   Hg  2    2.51     0.35     f   ?
Ho 3   O  -2    2.025    0.37     a   ?
Ho 3   O  -2    1.992    0.37     ae  'from transition metal complexes'
Ho 3   S  -2    2.49     0.37     e   unchecked 
Ho 3   F  -1    1.908    0.37     b   ?
Ho 3   F  -1    1.88     0.40     p   ?
Ho 3   Cl -1    2.401    0.37     b   ?
Ho 3   Cl -1    2.37     0.40     p   ?
Ho 3   Br -1    2.52     0.40     p   ?
Ho 3   I  -1    2.76     0.40     p   ?
Ho 9   Br -1    2.55     0.37     b   ?
Ho 9   I  -1    2.77     0.37     b   ?
Ho 9   S  -2    2.48     0.37     b   ?
Ho 9   Se -2    2.61     0.37     b   ?
Ho 9   Te -2    2.80     0.37     b   ?
Ho 9   N  -3    2.118    0.37     ah  ?
Ho 9   N  -3    2.18     0.37     b   ?
Ho 9   P  -3    2.56     0.37     b   ?
Ho 9   As -3    2.64     0.37     b   ?
Ho 9   H  -1    1.88     0.37     b   ?
I  0   I   0    2.195    0.35     e   unchecked
I  1   F  -1    2.32     0.37     e   unchecked
I  1   Cl -1    2.47     0.37     e   unchecked
I  3   O  -2    2.02     0.37     e   unchecked
I  3   F  -1    1.90     0.37     b   ?
I  3   Cl -1    2.39     0.37     e   unchecked
I  5   O  -2    2.003    0.37     a   ?   
I  5   F  -1    1.84     0.37     e   unchecked
I  5   F  -1    1.90     0.37     b   ?
I  5   Cl -1    2.38     0.37     b   ?
I  7   O  -2    1.93     0.37     b   ?           
I  7   F  -1    1.83     0.37     b   ?
I  7   Cl -1    2.31     0.37     b   ?
In 1   Cl -1    2.56     0.37     e   unchecked
In 3   O  -2    1.902    0.37     a   ?
In 3   S  -2    2.370    0.37     a   ? 
In 3   F  -1    1.792    0.37     a   ?
In 3   Cl -1    2.28     0.37     b   ? 
In 3   Br -1    2.51     0.35     e   unchecked
In 3   I  -1    2.63     0.37     e   unchecked
In 3   Co -1    2.593    0.35     e   unchecked
In 3   Mn -2    2.604    0.35     e   unchecked
In 9   Br -1    2.41     0.37     b   ?
In 9   I  -1    2.63     0.37     b   ?
In 9   S  -2    2.36     0.37     b   ?
In 9   Se -2    2.47     0.37     b   ? 
In 9   Te -2    2.69     0.37     b   ?
In 9   N  -3    2.03     0.37     b   ?
In 9   P  -3    2.43     0.37     b   ?
In 9   As -3    2.51     0.37     b   ?
In 9   H  -1    1.72     0.37     b   ?
Ir 4   O  -2    1.87     0.37     e   unchecked      
Ir 4   F  -1    1.80     0.37     e   unchecked
Ir 5   O  -2    1.916    0.37     b   ?
Ir 5   O  -2    2.01     0.37     e   unchecked 
Ir 5   F  -1    1.82     0.37     b   ?
Ir 5   Cl -1    2.30     0.37     b   ? 
Ir 9   S  -2    2.38     0.37     b   ? 
Ir 9   Se -2    2.51     0.37     b   ? 
Ir 9   Te -2    2.71     0.37     b   ?
Ir 9   Br -1    2.45     0.37     b   ? 
Ir 9   I  -1    2.66     0.37     b   ? 
Ir 9   N  -3    2.06     0.37     b   ?
Ir 9   P  -3    2.46     0.37     b   ?
Ir 9   As -3    2.54     0.37     b   ?
Ir 9   H  -1    1.76     0.37     b   ?
K  1   O  -2    2.132    0.37     a   ?
K  1   O  -2    2.113    0.37     u   ?
K  1   O  -2    1.9548   0.430    c   '6 A cut-off'
K  1   O  -2    1.84     0.48     o   ?
K  1   S  -2    2.59     0.37     b   ?
K  1   S  -2    2.1516   0.580    c   '7 A cut-off'
K  1   S  -2    2.63     0.37     e   unchecked 
K  1   Se -2    2.72     0.37     b   ?
K  1   Se -2    2.2811   0.612    c   '7 A cut-off'
K  1   Te -2    2.93     0.37     b   ?
K  1   Te -2    2.4102   0.653    c   '7 A cut-off'
K  1   F  -1    1.992    0.37     a   ? 
K  1   F  -1    1.8307   0.429    c   '6 A cut-off'
K  1   Cl -1    2.519    0.37     a   ?
K  1   Cl -1    2.0707   0.559    c   '6 A cut-off'
K  1   Br -1    2.66     0.37     b   ?
K  1   Br -1    2.1529   0.603    c   '7 A cut-off'
K  1   I  -1    2.88     0.37     b   ?
K  1   I  -1    2.2821   0.658    c   '7 A cut-off'
K  1   I  -1    2.92     0.37     e   unchecked
K  1   N  -3    2.26     0.37     b   ?
K  1   N  -3    2.30     0.37     e   unchecked
K  1   P  -3    2.64     0.37     b   ?
K  1   As -3    2.83     0.37     b   ?
K  1   H  -1    2.10     0.37     b   ?
Kr 2   F  -1    1.88     0.37     e   ?
La 3   O  -2    2.172    0.37     a   ?
La 3   O  -2    2.172    0.33     ac  ?
La 3   O  -2    2.148    0.37     ae  'from transition metal complexes'
La 3   S  -2    2.643    0.37     a   ?
La 3   Se -2    2.74     0.37     b   ?
La 3   Te -2    2.94     0.37     b   ?
La 3   F  -1    2.02     0.40     p   ?
La 3   F  -1    2.08     0.37     e   unchecked
La 3   Cl -1    2.545    0.37     b   ?
La 3   Cl -1    2.57     0.37     e   unchecked
La 3   Cl -1    2.58     0.40     p   ?
La 3   Br -1    2.72     0.37     b   ?
La 3   Br -1    2.66     0.40     p   ?
La 3   I  -1    2.93     0.37     b   ?
La 3   I  -1    2.88     0.40     p   ?
La 3   N  -3    2.261    0.37     ah  ?
La 3   N  -3    2.34     0.37     b   ?
La 3   P  -3    2.73     0.37     b   ?
La 3   As -3    2.80     0.37     b   ?
La 3   H  -1    2.06     0.37     b   ?
Li 1   O  -2    1.466    0.37     a   ?
Li 1   O  -2    1.1745   0.514    c   '6 A cut-off'
Li 1   O  -2    1.29     0.48     o   ?
Li 1   S  -2    1.94     0.37     b   ?
Li 1   S  -2    1.4607   0.656    c   '6 A cut-off'
Li 1   Se -2    2.09     0.37     b   ?
Li 1   Se -2    1.6272   0.681    c   '7 A cut-off'
Li 1   Te -2    2.30     0.37     b   ?
Li 1   Te -2    1.7340   0.717    c   '7 A cut-off'
Li 1   F  -1    1.360    0.37     a   ? 
Li 1   F  -1    1.0968   0.503    c   '6 A cut-off'
Li 1   Cl -1    1.91     0.37     b   ?
Li 1   Cl -1    1.3873   0.640    c   '6 A cut-off'
Li 1   Cl -1    1.94     0.37     e   unchecked 
Li 1   Br -1    2.02     0.37     b   ?
Li 1   Br -1    1.5150   0.674    c   '7 A cut-off'
Li 1   I  -1    2.22     0.37     b   ? 
Li 1   I  -1    1.6754   0.722    c   '7 A cut-off'
Li 1   N  -3    1.61     0.37     b   ?
Lu 3   O  -2    1.971    0.37     b   ?
Lu 3   O  -2    1.947    0.37     ae  'from transition metal complex'
Lu 3   S  -2    2.43     0.37     b   ? 
Lu 3   Se -2    2.56     0.37     b   ? 
Lu 3   Te -2    2.75     0.37     b   ?
Lu 3   F  -1    1.876    0.37     b   ?
Lu 3   F  -1    1.84     0.40     p   ?
Lu 3   Cl -1    2.361    0.37     b   ?
Lu 3   Cl -1    2.33     0.40     p   ?
Lu 3   Br -1    2.50     0.37     b   ?
Lu 3   Br -1    2.48     0.40     p   ?
Lu 3   I  -1    2.73     0.37     b   ?
Lu 3   I  -1    2.73     0.40     p   ?
Lu 3   N  -3    2.046    0.37     ah  ?
Lu 3   N  -3    2.11     0.37     b   ?
Lu 3   P  -3    2.51     0.37     b   ?
Lu 3   As -3    2.59     0.37     b   ?
Lu 3   H  -1    1.82     0.37     b   ?
Mg 2   O  -2    1.693    0.37     a   ? 
Mg 2   O  -2    1.636    0.42     o   ? 
Mg 2   S  -2    2.18     0.37     b   ?
Mg 2   Se -2    2.32     0.37     b   ?
Mg 2   Te -2    2.53     0.37     b   ? 
Mg 2   F  -1    1.578    0.37     a   ? 
Mg 2   Cl -1    2.08     0.37     b   ?
Mg 2   Br -1    2.28     0.37     b   ? 
Mg 2   I  -1    2.46     0.37     b   ? 
Mg 2   N  -3    1.85     0.37     b   ?
Mg 2   P  -3    2.29     0.37     b   ?
Mg 2   As -3    2.38     0.37     b   ?
Mg 2   H  -1    1.53     0.37     b   ?
Mn 2   O  -2    1.790    0.37     a   ?
Mn 2   O  -2    1.765    0.37     j   ?
Mn 2   S  -2    2.22     0.37     e   unchecked 
Mn 2   F  -1    1.698    0.37     a   ?
Mn 2   Cl -1    2.133    0.37     a   ?
Mn 2   Br -1    2.34     0.37     e   unchecked
Mn 2   I  -2    2.52     0.37     e   unchecked
Mn 2   N  -3    1.849    0.37     j   'from transition metal complexes'
Mn 2   N  -3    1.65     0.35     e   unchecked    
Mn 3   O  -2    1.760    0.37     a   ?
Mn 3   O  -2    1.732    0.37     j   'from transition metal complexes'
Mn 3   F  -1    1.66     0.37     b   ?
Mn 3   Cl -1    2.14     0.37     b   ?
Mn 3   N  -3    1.837    0.37     j   'from transition metal complexes'
Mn 4   O  -2    1.753    0.37     a   ?
Mn 4   O  -2    1.750    0.37     j   'from transition metal complexes'
Mn 4   F  -1    1.71     0.37     b   ?           
Mn 4   F  -1    1.63     0.37     e   unchecked
Mn 4   Cl -1    2.13     0.37     b   ?
Mn 4   N  -3    1.822    0.37     j   'from transition metal complexes'
Mn 6   O  -2    1.79     0.37     e   ?
Mn 7   O  -2    1.827    0.37     e   unchecked
Mn 7   O  -2    1.79     0.37     b   ?
Mn 7   F  -1    1.72     0.37     b   ?
Mn 7   Cl -1    2.17     0.37     b   ?
Mn 9   O  -2    1.754    0.37     g   'from transition metal complexes'
Mn 9   Br -1    2.26     0.37     b   ?
Mn 9   I  -1    2.49     0.37     b   ?
Mn 9   S  -2    2.20     0.37     b   ?
Mn 9   Se -1    2.32     0.37     b   ? 
Mn 9   Te -2    2.55     0.37     b   ?
Mn 9   N  -3    1.87     0.37     b   ?
Mn 9   P  -3    2.24     0.37     b   ?
Mn 9   As -3    2.36     0.37     b   ?
Mn 9   H  -1    1.55     0.37     b   ?
Mo 3   O  -2    1.834    0.37     m   ?
Mo 3   F  -1    1.76     0.35     e   unchecked
Mo 3   Cl -1    2.22     0.37     e   unchecked
Mo 3   Br -1    2.34     0.37     e   unchecked
Mo 3   N  -3    1.96     0.37     e   unchecked
Mo 4   O  -2    1.886    0.37     j   'from transition metal complexes'
Mo 4   O  -2    1.856    0.37     m   ?
Mo 4   S  -2    2.235    0.37     j   'from transition metal complexes'
Mo 4   F  -1    1.80     0.37     e   unchecked
Mo 4   Cl -1    2.17     0.37     e   unchecked
Mo 4   N  -3    2.043    0.37     j   'from transition metal complexes'
Mo 5   O  -2    1.907    0.37     j   'from transition metal complexes'
Mo 5   O  -2    1.878    0.37     m   ?
Mo 5   S  -2    2.288    0.37     j   'from transition metal complexes'
Mo 5   Cl -1    2.26     0.37     e   unchecked
Mo 5   N  -3    2.009    0.37     j   'from transition metal complexes'
Mo 6   O  -2    1.907    0.37     a   ?
Mo 6   O  -2    1.915    0.41     x   ?
Mo 6   O  -2    1.87     0.26     n   ?
Mo 6   O  -2    1.900    0.37     m   ?
Mo 6   S  -2    2.331    0.37     j   'from transition metal complexes'
Mo 6   F  -1    1.81     0.37     b   ? 
Mo 6   Cl -1    2.28     0.37     b   ?
Mo 6   N  -3    2.009    0.37     j   'from transition metal complexes'
Mo 9   O  -2    1.879    0.30     z   'applies to all oxidation states'
Mo 9   Br -1    2.43     0.37     b   ? 
Mo 9   I  -1    2.64     0.37     b   ?
Mo 9   S  -2    2.35     0.37     b   ? 
Mo 9   Se -2    2.49     0.37     b   ?
Mo 9   Te -2    2.69     0.37     b   ?
Mo 9   N  -3    2.04     0.37     b   ?
Mo 9   P  -3    2.44     0.37     b   ?
Mo 9   As -3    2.52     0.37     b   ?
Mo 9   H  -1    1.73     0.37     b   ?
N  3   O  -2    1.361    0.37     a   ?
N  3   S  -2    1.73     0.37     e   unchecked      
N  3   F  -1    1.37     0.37     b   ?
N  3   Cl -1    1.75     0.37     b   ?
N -3   N  -3    1.44     0.35     e   unchecked
N  5   O  -2    1.432    0.37     a   ?    
N  5   O  -2    1.41     0.43     o   ?           
N  5   F  -1    1.36     0.37     b   ?
N  5   Cl -1    1.80     0.37     b   ?
Na 1   O  -2    1.803    0.37     a   ?
Na 1   O  -2    1.756    0.37     v   ? 
Na 1   O  -2    1.5766   0.475    c   '6 A cut-off'
Na 1   O  -2    1.661    0.44     o   ? 
Na 1   S  -2    2.300    0.37     a   ? 
Na 1   S  -2    2.28     0.37     b   ?
Na 1   S  -2    1.8213   0.626    c   '6 A cut-off'
Na 1   Se -2    2.41     0.37     b   ? 
Na 1   Se -2    1.8908   0.654    c   '7 A cut-off'
Na 1   Te -2    2.64     0.37     b   ?
Na 1   Te -2    2.0400   0.690    c   '7 A cut-off'
Na 1   F  -1    1.677    0.37     a   ?
Na 1   F  -1    1.4485   0.465    c   '6 A cut-off'
Na 1   Cl -1    2.15     0.37     b   ?
Na 1   Cl -1    1.6833   0.608    c   '6 A cut-off'
Na 1   Cl -1    2.22     0.37     e   unchecked 
Na 1   Br -1    2.33     0.37     b   ?
Na 1   Br -1    1.7719   0.646    c   '7 A cut-off'
Na 1   I  -1    2.56     0.37     b   ?
Na 1   I  -1    1.9555   0.695    c   '7 A cut-off'
Na 1   N  -3    1.93     0.37     b   ?
Na 1   N  -3    2.01     0.37     e   unchecked
Na 1   P  -3    2.36     0.37     b   ?
Na 1   As -3    2.53     0.37     b   ?
Na 1   H  -1    1.68     0.37     b   ?
Nb 3   O  -2    1.91     0.35     e   unchecked      
Nb 3   F  -1    1.71     0.37     e   unchecked
Nb 3   Cl -1    2.20     0.37     e   unchecked
Nb 3   Br -1    2.35     0.37     e   unchecked
Nb 4   O  -2    1.88     0.37     e   unchecked
Nb 4   F  -1    1.90     0.37     e   unchecked
Nb 4   Cl -1    2.26     0.35     e   unchecked 
Nb 4   Br -1    2.62     0.37     e   unchecked
Nb 5   O  -2    1.911    0.37     a   ?
Nb 5   O  -2    1.916    0.37     x   ?
Nb 5   F  -1    1.87     0.37     b   ? 
Nb 5   Cl -1    2.27     0.37     b   ?
Nb 5   I  -1    2.77     0.37     e   unchecked
Nb 5   N  -3    2.01     0.35     e   unchecked
Nb 9   Br -1    2.45     0.37     b   ?
Nb 9   I  -1    2.68     0.37     b   ?
Nb 9   S  -2    2.37     0.37     b   ?
Nb 9   Se -2    2.51     0.37     b   ? 
Nb 9   Te -2    2.70     0.37     b   ?
Nb 9   N  -3    2.06     0.37     b   ?
Nb 9   P  -3    2.46     0.37     b   ?
Nb 9   As -3    2.54     0.37     b   ?
Nb 9   H  -1    1.75     0.37     b   ?
Nd 2   O  -2    1.95     0.37     e   unchecked
Nd 2   S  -2    2.60     0.35     e   unchecked
Nd 3   O  -2    2.105    0.37     a   ?
Nd 3   O  -2    2.117    0.37     b   ?
Nd 3   O  -2    2.086    0.37     ae  'from transition metal complexes'
Nd 3   S  -2    2.59     0.37     b   ? 
Nd 3   Se -2    2.71     0.37     b   ?
Nd 3   Te -2    2.89     0.37     b   ?
Nd 3   F  -1    2.008    0.37     b   ? 
Nd 3   F  -1    1.98     0.40     p   ? 
Nd 3   Cl -1    2.492    0.37     b   ? 
Nd 3   Cl -1    2.46     0.40     p   ? 
Nd 3   Br -1    2.66     0.37     b   ?
Nd 3   Br -1    2.61     0.40     p   ?
Nd 3   I  -1    2.87     0.37     b   ?
Nd 3   I  -1    2.84     0.40     p   ?
Nd 3   N  -3    2.201    0.37     ah  ?
Nd 3   N  -3    2.30     0.37     b   ?
NH 1   O  -2    2.226    0.37     s   ?
NH 1   F  -1    2.129    0.37     s   ?
NH 1   Cl -1    2.619    0.37     s   ?
Ni 2   O  -2    1.654    0.37     a   ?
Ni 2   O  -2    1.670    0.37     j   'from transition metal complexes'
Ni 2   S  -2    1.98     0.37     e   unchecked
Ni 2   S  -2    1.937    0.37     j   'from transition metal complexes'
Ni 2   F  -1    1.596    0.37     a   ? 
Ni 2   Cl -1    2.02     0.37     b   ?
Ni 2   Br -1    2.20     0.37     e   unchecked
Ni 2   I  -1    2.40     0.37     e   unchecked
Ni 2   N  -3    1.70     0.37     e   unchecked
Ni 2   N  -3    1.647    0.37     j   'from transition metal complexes'
Ni 3   O  -2    1.75     0.37     e   ?
Ni 3   S  -2    2.040    0.37     j   'from transition metal complexes'
Ni 3   F  -1    1.58     0.37     e   unchecked
Ni 3   N  -3    1.731    0.37     j   'from transition metal complexes'
Ni 4   O  -2    1.78     0.35     e   unchecked      
Ni 4   F  -1    1.61     0.37     e   unchecked
Ni 9   Br -1    2.16     0.37     b   ?
Ni 9   I  -1    2.34     0.37     b   ?
Ni 9   S  -2    2.04     0.37     b   ?
Ni 9   Se -2    2.14     0.37     b   ? 
Ni 9   Te -2    2.43     0.37     b   ?
Ni 9   N  -3    1.75     0.37     b   ?
Ni 9   P  -3    2.17     0.37     b   ?
Ni 9   As -3    2.24     0.37     b   ?
Ni 9   H  -1    1.40     0.37     b   ?
Np 3   F  -1    2.00     0.40     p   ?
Np 3   Cl -1    2.48     0.40     p   ?
Np 3   Br -1    2.62     0.40     p   ?
Np 3   I  -1    2.85     0.40     p   ?
Np 4   O  -2    2.18     0.37     e   unchecked      
Np 4   O  -2    2.11     0.35     p   ?
Np 4   F  -1    2.02     0.37     e   unchecked
Np 4   F  -1    1.98     0.40     p   ?
Np 4   Cl -1    2.46     0.40     p   ?
Np 5   O  -2    2.09     0.35     p   ?
Np 5   F  -1    1.97     0.40     p   ?
Np 5   Cl -1    2.42     0.40     p   ?
Np 6   O  -2    2.07     0.35     p   ?
Np 6   F  -1    1.97     0.40     p   ?
Np 7   O  -2    2.06     0.35     p   ?
O -2   O  -2    1.500    0.35     e   unchecked
Os 4   O  -2    1.811    0.37     b   ?
Os 4   S  -2    2.21     0.37     e   unchecked 
Os 4   F  -1    1.72     0.37     b   ?
Os 4   Cl -1    2.19     0.37     b   ?
Os 4   Br -1    2.37     0.37     e   unchecked
Os 5   F  -1    1.81     0.37     e   unchecked
Os 6   O  -2    2.03     0.37     a   ?   
Os 6   F  -1    1.80     0.35     e   unchecked
Os 8   O  -2    1.92     0.37     e   unchecked
P  3   O  -2    1.63     0.37     e   unchecked
P  3   S  -2    2.12     0.37     e   unchecked
P  3   Se -2    2.24     0.37     e   unchecked        
P  3   F  -1    1.53     0.35     e   unchecked
P  4   O  -2    1.64     0.37     e   unchecked
P  4   S  -2    2.13     0.35     e   unchecked             
P  4   F  -1    1.66     0.37     e   unchecked
P  5   O  -2    1.617    0.37     a   ?
P  5   O  -2    1.604    0.37     b   ?
P  5   S  -2    2.145    0.37     a   ?
P  5   F  -1    1.54     0.37     e   unchecked
P  5   Cl -1    2.02     0.37     e   ?
P  5   Br -1    2.17     0.40     e   unchecked 
P  5   N  -3    1.704    0.37     a   ?
P  9   Br -1    2.15     0.37     b   ?
P  9   I  -1    2.40     0.37     b   ? 
P  9   S  -2    2.11     0.37     b   ?
P  9   Se -2    2.26     0.37     b   ?
P  9   Te -2    2.44     0.37     b   ?
P  9   N  -3    1.73     0.37     b   ?
P  9   P  -3    2.19     0.37     b   ?
P  9   As -3    2.25     0.37     b   ?
P  9   H  -1    1.41     0.37     b   ?
P  5   P   5    2.22     0.35     e   unchecked
Pa 4   O  -2    2.15     0.35     p   ?
Pa 4   F  -1    2.02     0.40     p   ?
Pa 4   Cl -1    2.49     0.40     p   ?
Pa 4   Br -1    2.66     0.40     p   ?
Pa 5   O  -2    2.09     0.35     e   unchecked
Pa 5   O  -2    2.11     0.35     p   ?
Pa 5   F  -1    2.04     0.37     e   unchecked
Pa 5   F  -1    2.01     0.40     p   ?
Pa 5   Cl -1    2.45     0.40     p   ?
Pa 5   Br -1    2.58     0.40     p   ?
Pb 2   O  -2    1.963    0.49     q   ?
Pb 2   O  -2    2.112    0.37     a   ?
Pb 2   S  -2    2.541    0.37     a   ?
Pb 2   Se -2    2.69     0.37     e   unchecked 
Pb 2   F  -1    2.03     0.37     b   ?
Pb 2   Cl -1    2.53     0.37     b   ?
Pb 2   Br -1    2.68     0.37     e   unchecked
Pb 2   I  -1    2.83     0.37     e   unchecked
Pb 2   N  -3    2.18     0.40     e   unchecked
Pb 4   O  -2    2.042    0.37     a   ?   
Pb 4   F  -1    1.94     0.37     b   ?
Pb 4   Cl -1    2.43     0.37     b   ?
Pb 4   Cl -1    2.36     0.37     e   unchecked  
Pb 4   Br -1    3.04     0.35     e   unchecked
Pb 9   Br -1    2.64     0.37     b   ?
Pb 9   I  -1    2.78     0.37     b   ?
Pb 9   S  -2    2.55     0.37     b   ?
Pb 9   Se -2    2.67     0.37     b   ?
Pb 9   Te -2    2.84     0.37     b   ?
Pb 9   N  -3    2.22     0.37     b   ?
Pb 9   P  -3    2.64     0.37     b   ?
Pb 9   As -3    2.72     0.37     b   ?
Pb 9   H  -1    1.97     0.37     b   ?
Pd 2   O  -2    1.792    0.37     b   ?
Pd 2   S  -2    2.09     0.37     e   unchecked  
Pd 2   F  -1    1.74     0.37     b   ?
Pd 2   Cl -1    2.05     0.37     b   ?
Pd 2   Br -1    2.20     0.37     e   unchecked
Pd 2   I  -1    2.36     0.37     e   unchecked
Pd 2   N  -3    1.82     0.35     e   unchecked
Pd 2   C  -4    1.73     0.37     e   unchecked
Pd 4   S  -2    2.30     0.37     e   unchecked
Pd 4   F  -1    1.66     0.37     e   unchecked
Pd 9   Br -1    2.19     0.37     b   ?
Pd 9   I  -1    2.38     0.37     b   ?
Pd 9   S  -2    2.10     0.37     b   ?
Pd 9   Se -2    2.22     0.37     b   ?
Pd 9   Te -2    2.48     0.37     b   ?
Pd 9   N  -3    1.81     0.37     b   ?
Pd 9   P  -3    2.22     0.37     b   ?
Pd 9   As -3    2.30     0.37     b   ?
Pd 9   H  -1    1.47     0.37     b   ?
Pm 3   F  -1    1.96     0.40     p   ?
Pm 3   Cl -1    2.45     0.40     p   ?
Pm 3   Br -1    2.59     0.40     p   ?
Pm 3   Cl -1    2.82     0.40     p   ?
Po 4   O  -2    2.19     0.37     e   unchecked           
Po 4   F  -1    2.38     0.37     e   unchecked
Pr 3   O  -2    2.138    0.37     a   ?
Pr 3   O  -2    2.098    0.37     ae  'from transition metal complexes'
Pr 3   S  -2    2.60     0.37     b   ? 
Pr 3   Se -1    2.72     0.37     b   ?
Pr 3   Te -2    2.90     0.37     b   ?
Pr 3   F  -1    2.022    0.37     b   ?
Pr 3   F  -1    1.99     0.40     p   ?
Pr 3   Cl -1    2.50     0.37     b   ?
Pr 3   Cl -1    2.47     0.40     p   ?
Pr 3   Br -1    2.67     0.37     b   ?
Pr 3   Br -1    2.63     0.40     p   ?
Pr 3   I  -1    2.89     0.37     b   ?
Pr 3   I  -1    2.85     0.40     p   ?
Pr 3   N  -3    2.215    0.37     ah  ?
Pr 3   N  -3    2.30     0.37     b   ?
Pr 3   P  -3    2.68     0.37     b   ?
Pr 3   As -3    2.75     0.37     b   ?
Pr 3   H  -1    2.02     0.37     b   ?
Pt 2   O  -2    1.768    0.37     b   ?
Pt 2   O  -2    1.80     0.37     e   unchecked
Pt 2   S  -2    2.16     0.37     e   unchecked
Pt 2   F  -1    1.68     0.37     b   ?
Pt 2   Cl -1    2.05     0.37     b   ?
Pt 2   Br -1    2.20     0.37     e   unchecked 
Pt 2   C   2    1.760    0.37     a   ?
Pt 2   N  -3    1.81     0.37     e   unchecked
Pt 3   O  -2    1.87     0.37     e   unchecked        
Pt 3   Cl -1    2.30     0.37     e   unchecked
Pt 3   Br -1    2.47     0.35     e   unchecked
Pt 4   O  -2    1.879    0.37     a   ?
Pt 4   F  -1    1.759    0.37     b   ?
Pt 4   F  -1    2.19     0.37     e   unchecked
Pt 4   Cl -1    2.17     0.37     b   ?
Pt 4   Cl -1    2.32     0.37     e   unchecked
Pt 4   Br -1    2.6      0.35     e   unchecked
Pt 9   Br -1    2.18     0.37     b   ?
Pt 9   I  -1    2.37     0.37     b   ? 
Pt 9   S  -2    2.08     0.37     b   ?
Pt 9   Se -2    2.19     0.37     b   ?
Pt 9   Te -2    2.45     0.37     b   ?
Pt 9   N  -3    1.77     0.37     b   ?
Pt 9   P  -3    2.19     0.37     b   ?
Pt 9   As -3    2.26     0.37     b   ?
Pt 9   H  -1    1.40     0.37     b   ?
Pu 3   O  -2    2.11     0.37     b   ?
Pu 3   O  -2    2.14     0.35     p   ?
Pu 3   F  -1    2.00     0.37     b   ?
Pu 3   F  -1    1.99     0.40     p   ?
Pu 3   Cl -1    2.48     0.37     b   ?
Pu 3   Cl -1    2.46     0.40     p   ?
Pu 3   Br -1    2.60     0.40     p   ?
Pu 3   I  -1    2.84     0.40     p   ?
Pu 4   O  -2    2.09     0.35     p   ?
Pu 4   F  -1    1.97     0.40     p   ?
Pu 4   Cl -1    2.44     0.40     p   ?
Pu 5   O  -2    2.11     0.37     e   ?
Pu 5   O  -2    2.08     0.35     p   ?
Pu 5   F  -1    1.96     0.40     p   ?
Pu 6   O  -2    2.06     0.35     p   ?
Pu 6   F  -1    1.96     0.40     p   ?
Pu 7   O  -2    2.05     0.35     p   ?
Rb 1   O  -2    2.263    0.37     a   ?
Rb 1   O  -2    2.0812   0.415    c   '7 A cut-off'
Rb 1   S  -2    2.70     0.37     b   ?
Rb 1   S  -2    2.2991   0.553    c   '7 A cut-off'
Rb 1   S  -2    2.80     0.37     e   unchecked
Rb 1   Se -2    2.81     0.37     b   ?
Rb 1   Se -2    2.3886   0.587    c   '7 A cut-off'
Rb 1   Te -2    3.00     0.37     b   ?
Rb 1   Te -2    2.4175   0.633    c   '8 A cut-off'
Rb 1   F  -1    2.16     0.37     b   ?
Rb 1   F  -1    1.9718   0.412    c   '6 A cut-off'
Rb 1   F  -1    2.20     0.37     e   unchecked
Rb 1   Cl -1    2.652    0.37     a   ?
Rb 1   Cl -1    2.2653   0.531    c   '7 A cut-off'
Rb 1   Br -1    2.78     0.37     b   ?
Rb 1   Br -1    2.3296   0.578    c   '7 A cut-off'
Rb 1   Br -1    2.86     0.37     e   unchecked
Rb 1   I  -1    3.01     0.37     b   ?
Rb 1   I  -1    2.4509   0.638    c   '7 A cut-off'
Rb 1   I  -1    3.12     0.37     e   unchecked
Rb 1   N  -3    2.62     0.37     e   unchecked
Rb 1   N  -3    2.37     0.37     b   ?
Rb 1   P  -3    2.76     0.37     b   ?
Rb 1   As -3    2.87     0.37     b   ?
Rb 1   H  -1    2.26     0.37     b   ?
Re 1   Cl -1    2.62     0.35     e   unchecked
Re 3   O  -2    1.9      0.35     e   unchecked
Re 3   Cl -1    2.23     0.37     e   unchecked
Re 4   F  -1    1.81     0.37     e   unchecked
Re 4   Cl -1    2.23     0.37     e   unchecked
Re 4   Br -1    2.35     0.37     e   unchecked
Re 5   O  -2    1.86     0.37     e   ?  
Re 5   Cl -1    2.24     0.37     e   unchecked
Re 6   F  -1    1.79     0.37     e   unchecked
Re 7   O  -2    1.97     0.37     e   unchecked
Re 7   F  -1    1.86     0.37     b   ?  
Re 7   Cl -1    2.23     0.37     b   ? 
Re 9   Br -1    2.45     0.37     b   ? 
Re 9   I  -1    2.61     0.37     b   ?
Re 9   S  -2    2.37     0.37     b   ? 
Re 9   Se -2    2.50     0.37     b   ? 
Re 9   Te -2    2.70     0.37     b   ?
Re 9   N  -3    2.06     0.37     b   ?
Re 9   P  -3    2.46     0.37     b   ?
Re 9   As -3    2.54     0.37     b   ?
Re 9   H  -1    1.75     0.37     b   ?
Rh 3   O  -2    1.793    0.37     b   ?
Rh 3   F  -1    1.71     0.37     b   ?
Rh 3   Cl -1    2.08     0.37     e   unchecked
Rh 3   Cl -1    2.17     0.37     b   ?
Rh 3   Br -1    2.27     0.35     e   unchecked
Rh 3   N  -3    1.82     0.35     e   unchecked
Rh 4   F  -1    1.59     0.37     e   unchecked
Rh 5   F  -1    1.80     0.37     e   unchecked
Rh 9   Br -1    2.25     0.37     b   ?
Rh 9   I  -1    2.48     0.37     b   ? 
Rh 9   S  -2    2.15     0.37     b   ?
Rh 9   Se -1    2.33     0.37     b   ? 
Rh 9   Te -2    2.55     0.37     b   ?
Rh 9   N  -3    1.88     0.37     b   ?
Rh 9   P  -3    2.29     0.37     b   ?
Rh 9   As -3    2.37     0.37     b   ?
Rh 9   H  -1    1.55     0.37     b   ?
Ru 2   Se -2    2.11     0.35     e   unchecked      
Ru 2   F  -1    1.84     0.35     e   unchecked
Ru 3   O  -2    1.77     0.37     o   ?
Ru 3   S  -2    2.20     0.35     e   unchecked      
Ru 3   F  -1    2.12     0.37     e   unchecked
Ru 3   Cl -1    2.25     0.37     e   unchecked
Ru 3   N  -3    1.82     0.35     e   unchecked
Ru 4   O  -2    1.834    0.37     b   ?
Ru 4   S  -2    2.21     0.37     e   unchecked
Ru 4   F  -1    1.74     0.37     b   ?
Ru 4   Cl -1    2.21     0.37     b   ? 
Ru 5   O  -2    1.90     0.37     o   ?     
Ru 5   F  -1    1.82     0.37     e   unchecked
Ru 5   Cl -1    2.23     0.35     e   unchecked
Ru 6   O  -2    1.87     0.35     e   unchecked
Ru 7   O  -2    1.99     0.37     e   unchecked
Ru 9   Br -1    2.26     0.37     b   ?
Ru 9   I  -1    2.48     0.37     b   ? 
Ru 9   S  -2    2.16     0.37     b   ?
Ru 9   Se -2    2.33     0.37     b   ? 
Ru 9   Te -2    2.54     0.37     b   ?
Ru 9   N  -3    1.88     0.37     b   ?
Ru 9   P  -3    2.29     0.37     b   ?
Ru 9   As -3    2.36     0.37     b   ?
Ru 9   H  -1    1.61     0.37     b   ?
S  2   O  -2    1.74     0.37     e   unchecked
S  2   S  -2    2.03     0.37     e   unchecked                  
S  2   N  -2    1.597    0.37     a   ?
S  2   N  -3    1.682    0.37     a   ?
S  2   S   2    2.10     0.35     e   unchecked
S  4   O  -2    1.644    0.37     a   ?
S  4   F  -1    1.60     0.37     b   ? 
S  4   Cl -1    2.02     0.37     b   ?           
S  4   N  -3    1.762    0.37     a   ? 
S  6   O  -2    1.624    0.37     a   ?   
S  6   F  -1    1.56     0.37     b   ?
S  6   Cl -1    2.03     0.37     b   ?
S  6   N  -3    1.72     0.37     e   unchecked 
S  9   Br -1    2.17     0.37     b   ?
S  9   I  -1    2.36     0.37     b   ? 
S  9   S  -2    2.07     0.37     b   ? 
S  9   Se -2    2.21     0.37     b   ?
S  9   Te -2    2.45     0.37     b   ?
S  9   N  -3    1.74     0.37     b   ?
S  9   P  -3    2.15     0.37     b   ?
S  9   As -3    2.25     0.37     b   ?
S  9   H  -1    1.38     0.37     b   ?
Sb 3   O  -2    1.973    0.37     a   ? 
Sb 3   S  -2    2.474    0.37     a   ?
Sb 3   Se -2    2.60     0.37     e   unchecked
Sb 3   F  -1    1.883    0.37     a   ?
Sb 3   F  -1    1.90     0.37     b   ?
Sb 3   Cl -1    2.35     0.37     b   ?
Sb 3   Br -1    2.51     0.37     e   unchecked
Sb 3   I  -1    2.76     0.37     e   unchecked
Sb 3   N  -3    2.108    0.37     d   ?
Sb 5   O  -2    1.942    0.37     a   ?
Sb 5   F  -1    1.797    0.37     a   ?
Sb 5   Cl -1    2.30     0.37     b   ?
Sb 5   Br -1    2.48     0.37     e   unchecked 
Sb 5   N  -3    1.99     0.35     e   unchecked
Sb 9   S  -2    2.45     0.37     b   ?
Sb 9   Se -2    2.57     0.37     b   ?
Sb 9   Te -2    2.78     0.37     b   ?
Sb 9   Br -1    2.50     0.37     b   ?
Sb 9   I  -1    2.72     0.37     b   ?
Sb 9   N  -3    2.12     0.37     b   ?
Sb 9   P  -3    2.52     0.37     b   ?
Sb 9   As -3    2.60     0.37     b   ?
Sb 9   H  -1    2.77     0.37     b   ?
Sc 3   O  -2    1.849    0.37     a   ?
Sc 3   O  -2    1.877    0.35     o   ?
Sc 3   S  -2    2.321    0.37     a   ?
Sc 3   Se -2    2.44     0.37     b   ?
Sc 3   Te -2    2.64     0.37     b   ?
Sc 3   F  -1    1.76     0.37     b   ?
Sc 3   Cl -1    2.36     0.37     e   unchecked
Sc 3   Cl -1    2.23     0.37     b   ?
Sc 3   Br -1    2.38     0.37     b   ? 
Sc 3   I  -1    2.59     0.37     b   ?
Sc 3   N  -3    1.98     0.37     b   ?
Sc 3   P  -3    2.40     0.37     b   ?
Sc 3   As -3    2.48     0.37     b   ?
Sc 3   H  -1    1.68     0.37     b   ?
Se 2   S  -2    2.21     0.37     e   unchecked
Se 2   Se -2    2.33     0.37     e   unchecked
Se 4   O  -2    1.811    0.37     a   ?
Se 4   F  -1    1.73     0.37     b   ?
Se 4   Cl -1    2.22     0.37     b   ?
Se 4   Br -1    2.43     0.37     e   unchecked
Se 6   O  -2    1.788    0.37     a   ?
Se 6   F  -1    1.69     0.37     b   ? 
Se 6   Cl -1    2.16     0.37     b   ?
Se 6   N  -3    1.90     0.35     e   unchecked
Se 9   Br -1    2.33     0.37     b   ?
Se 9   I  -1    2.54     0.37     b   ? 
Se 9   S  -2    2.25     0.37     b   ? 
Se 9   Se -2    2.36     0.37     b   ? 
Se 9   Te -2    2.55     0.37     b   ?
Se 9   P  -3    2.34     0.37     b   ?
Se 9   As -3    2.42     0.37     b   ?
Se 9   H  -1    1.54     0.37     b   ?
Si 4   O  -2    1.624    0.37     b   ?
Si 4   O  -2    1.640    0.37     a   ?
Si 4   S  -2    2.126    0.37     a   ? 
Si 4   Se -2    2.26     0.37     b   ?
Si 4   Te -2    2.49     0.37     b   ? 
Si 4   F  -1    1.58     0.37     b   ? 
Si 4   Cl -1    2.03     0.37     b   ? 
Si 4   Br -1    2.20     0.37     b   ? 
Si 4   I  -1    2.41     0.37     b   ?
Si 4   C  -4    1.883    0.37     a   ?
Si 4   N  -3    1.724    0.37     a   ?
Si 4   N  -3    1.77     0.37     b   ? 
Si 4   P  -3    2.23     0.37     b   ?
Si 4   As -3    2.31     0.37     b   ?
Si 4   H  -1    1.47     0.37     b   ? 
Sm 2   O  -2    2.116    0.37     ai  ?
Sm 3   O  -2    2.088    0.37     b   ?
Sm 3   O  -2    2.063    0.37     ae  'from transition metal complexes'
Sm 3   O  -2    2.055    0.37     ai  'from transition metal complexes'
Sm 3   S  -2    2.55     0.37     b   ?
Sm 3   Se -2    2.67     0.37     b   ?
Sm 3   Te -2    2.86     0.37     b   ?
Sm 3   F  -1    1.94     0.40     p   ?
Sm 3   F  -1    2.00     0.37     e   unchecked
Sm 3   Cl -1    1.977    0.37     b   ?
Sm 3   Cl -1    2.43     0.40     p   ?
Sm 3   Br -1    2.66     0.37     b   ?
Sm 3   Br -1    2.58     0.40     p   ?
Sm 3   I  -1    2.84     0.37     b   ?
Sm 3   I  -1    2.80     0.40     p   ?
Sm 3   N  -3    2.171    0.37     ah  ?
Sm 3   N  -3    2.24     0.37     b   ?
Sm 3   P  -3    2.63     0.37     b   ?
Sm 3   As -3    2.70     0.37     b   ?
Sm 3   H  -1    1.96     0.37     b   ?
Sn 2   O  -2    1.94     0.37     b   ?
Sn 2   S  -2    2.44     0.37     e   unchecked 
Sn 2   F  -1    1.925    0.37     a   ?
Sn 2   Cl -1    2.41     0.37     e   unchecked
Sn 3   Cl -1    2.36     0.37     b   ?
Sn 2   Br -1    2.53     0.35     d   unchecked
Sn 2   I  -1    2.81     0.37     e   unchecked
Sn 2   N  -3    2.03     0.35     e   unchecked
Sn 4   O  -2    1.905    0.37     a   ?
Sn 4   S  -2    2.399    0.37     a   ?
Sn 4   Se -2    2.51     0.37     e   unchecked 
Sn 4   F  -1    1.843    0.37     a   ?
Sn 4   Cl -1    2.276    0.37     a   ?
Sn 4   Br -1    2.40     0.37     e   unchecked 
Sn 4   N  -3    2.03     0.35     e   unchecked
Sn 9   Br -1    2.55     0.37     b   ?
Sn 9   I  -1    2.76     0.37     b   ?
Sn 9   S  -2    2.39     0.37     aa  ?
Sn 9   S  -2    2.45     0.37     b   ?
Sn 9   Se -2    2.59     0.37     b   ?
Sn 9   Te -2    2.76     0.37     b   ?
Sn 9   N  -3    2.06     0.37     aa  ?
Sn 9   N  -3    2.14     0.37     b   ?
Sn 9   P  -3    2.45     0.37     b   ?
Sn 9   As -3    2.62     0.37     b   ?
Sn 9   H  -1    1.85     0.37     b   ?
Sr 2   O  -2    2.118    0.37     a   ?
Sr 2   S  -2    2.59     0.37     b   ?
Sr 2   S  -2    2.65     0.37     e   unchecked 
Sr 2   Se -2    2.72     0.37     b   ?
Sr 2   Te -2    2.87     0.37     b   ?
Sr 2   Te -2    2.06     0.37     e   unchecked
Sr 2   F  -1    2.019    0.37     b   ?
Sr 2   Cl -1    2.51     0.37     b   ?
Sr 2   Br -1    2.68     0.37     b   ?
Sr 2   I  -1    2.88     0.37     b   ?
Sr 2   N  -3    2.23     0.37     b   ?
Sr 2   P  -3    2.67     0.37     b   ?
Sr 2   As -3    2.76     0.37     b   ?
Sr 2   H  -1    2.01     0.37     b   ?
Ta 4   O  -2    2.29     0.37     e   unchecked
Ta 5   O  -2    1.920    0.37     a   ?
Ta 5   S  -2    2.47     0.37     e   unchecked
Ta 5   F  -1    1.88     0.37     b   ?
Ta 5   Cl -1    2.30     0.37     b   ?
Ta 9   Br -1    2.45     0.37     b   ? 
Ta 9   I  -1    2.66     0.37     b   ? 
Ta 9   S  -2    2.39     0.37     b   ?
Ta 9   Se -2    2.51     0.37     b   ?
Ta 9   Te -2    2.70     0.37     b   ?
Ta 9   N  -3    2.01     0.37     b   ?
Ta 9   P  -3    2.47     0.37     b   ?
Ta 9   As -3    2.55     0.37     b   ?
Ta 9   H  -1    1.76     0.37     b   ?
Tb 3   O  -2    2.032    0.37     a   ?
Tb 3   O  -2    2.049    0.37     b   ?
Tb 3   O  -2    2.013    0.37     ae  'from transition metal complexes'
Tb 3   S  -2    2.51     0.37     b   ?
Tb 3   Se -2    2.63     0.37     b   ?
Tb 3   Te -2    2.82     0.37     b   ?
Tb 3   F  -1    1.936    0.37     b   ?
Tb 3   F  -1    1.90     0.40     p   ?
Tb 3   Cl -1    2.427    0.37     b   ?
Tb 3   Cl -1    2.39     0.40     p   ?
Tb 3   Br -1    2.58     0.37     b   ?
Tb 3   Br -1    2.54     0.40     p   ?
Tb 3   I  -1    2.80     0.37     b   ?
Tb 3   I  -1    2.77     0.40     p   ?
Tb 3   N  -3    2.130    0.37     ah  ?
Tb 3   N  -3    2.20     0.37     b   ?
Tb 3   P  -3    2.59     0.37     b   ?
Tb 3   As -3    2.66     0.37     b   ?
Tb 3   H  -1    1.91     0.37     b   ?
Tc 4   F  -1    1.88     0.40     p   ?
Tc 4   Cl -1    2.21     0.37     e   unchecked
Tc 7   O  -2    1.90     0.37     e   unchecked
Te 4   O  -2    1.977    0.37     a   ?
Te 4   S  -2    2.44     0.37     e   unchecked
Te 4   F  -1    1.87     0.37     b   ?
Te 4   Cl -1    2.37     0.37     b   ?
Te 4   Br -1    2.55     0.37     e   unchecked
Te 4   I  -1    2.787    0.37     e   unchecked
Te 6   O  -2    1.917    0.37     a   ?
Te 6   F  -1    1.82     0.37     b   ?
Te 6   Cl -1    2.30     0.37     b   ?
Te 9   Br -1    2.53     0.37     b   ?
Te 9   I  -1    2.76     0.37     b   ?
Te 9   S  -2    2.45     0.37     b   ?
Te 9   Se -2    2.53     0.37     b   ? 
Te 9   Te -2    2.76     0.37     b   ?
Te 9   N  -3    2.12     0.37     b   ?
Te 9   P  -3    2.52     0.37     b   ?
Te 9   As -3    2.60     0.37     b   ?
Te 9   H  -1    1.83     0.37     b   ?
Th 4   O  -2    2.167    0.37     b   ?
Th 4   O  -2    2.18     0.35     p   ?
Th 4   S  -2    2.64     0.37     b   ? 
Th 4   Se -2    2.76     0.37     b   ?
Th 4   Te -2    2.94     0.37     b   ?
Th 4   F  -1    2.068    0.37     a   ?
Th 4   F  -1    2.05     0.40     p   ?
Th 4   Cl -1    2.55     0.37     b   ?
Th 4   Cl -1    2.52     0.40     p   ?
Th 4   Br -1    2.71     0.37     b   ?
Th 4   Br -1    2.68     0.40     p   ?
Th 4   I  -1    2.93     0.37     b   ?
Th 4   I  -1    2.92     0.40     p   ?
Th 4   I  -1    2.96     0.37     e   unchecked
Th 4   N  -3    2.34     0.37     b   ?
Th 4   P  -3    2.73     0.37     b   ?
Th 4   As -3    2.80     0.37     b   ?
Th 4   H  -1    2.07     0.37     b   ?
Ti 2   F  -1    2.15     0.37     e   unchecked
Ti 2   Cl -1    2.31     0.37     e   unchecked
Ti 2   Br -1    2.49     0.37     e   unchecked
Ti 3   O  -2    1.791    0.37     b   ?
Ti 3   S  -2    2.11     0.37     e   unchecked      
Ti 3   F  -1    1.723    0.37     b   ?
Ti 3   Cl -1    2.22     0.37     e   unchecked
Ti 3   Cl -1    2.17     0.37     b   ?
Ti 3   I  -1    2.52     0.37     e   unchecked
Ti 4   O  -2    1.815    0.37     a   ?
Ti 4   O  -2    1.78     0.43     o   ?
Ti 4   S  -2    2.29     0.37     e   unchecked
Ti 4   F  -1    1.76     0.37     b   ?
Ti 4   Cl -1    2.19     0.37     b   ?
Ti 4   Br -1    2.36     0.37     e   unchecked
Ti 9   O  -2    1.790    0.37     k   'from transition metal complexes'
Ti 9   Cl -1    2.184    0.37     k   'from transition metal complexes'
Ti 9   Br -1    2.32     0.37     b   ?
Ti 9   I  -1    2.54     0.37     b   ?
Ti 9   S  -2    2.24     0.37     b   ?
Ti 9   Se -2    2.38     0.37     b   ? 
Ti 9   Te -2    2.60     0.37     b   ?
Ti 9   N  -3    1.93     0.37     b   ?
Ti 9   N  -3    1.906    0.37     k   'from transition metal complexes'
Ti 9   P  -3    2.36     0.37     b   ?
Ti 9   As -3    2.42     0.37     b   ?
Ti 9   H  -1    1.61     0.37     b   ?
Tl 1   O  -2    2.124    0.37     a   ?
Tl 1   O  -2    2.172    0.37     b   ?
Tl 1   O  -2    1.927    0.50     af  'inorganic and organic compounds'
Tl 1   S  -2    2.545    0.37     a   ?
Tl 1   F  -1    2.15     0.37     b   ?
Tl 1   Cl -1    2.56     0.37     b   ?
Tl 1   Cl -1    2.61     0.37     e   unchecked
Tl 1   Br -1    2.69     0.37     e   unchecked
Tl 1   I  -1    2.822    0.37     a   ?
Tl 3   O  -2    2.003    0.37     b   ?           
Tl 3   F  -1    1.88     0.37     b   ?
Tl 3   Cl -1    2.32     0.37     b   ?
Tl 3   Br -1    2.65     0.35     e   unchecked
Tl 9   Br -1    2.70     0.37     b   ?
Tl 9   I  -1    2.91     0.37     b   ?
Tl 9   S  -2    2.63     0.37     b   ?
Tl 9   Se -2    2.70     0.37     b   ?
Tl 9   Te -2    2.93     0.37     b   ?
Tl 9   N  -3    2.29     0.37     b   ?
Tl 9   P  -3    2.71     0.37     b   ?
Tl 9   As -3    2.79     0.37     b   ?
Tl 9   H  -1    2.05     0.37     b   ?
Tm 3   O  -2    2.000    0.37     b   ?
Tm 3   O  -2    1.968    0.37     ae  'from transition metal complexes'
Tm 3   O  -2    1.93     0.37     e   unchecked 
Tm 3   S  -2    2.45     0.37     b   ?
Tm 3   Se -2    2.58     0.37     b   ?
Tm 3   Te -2    2.77     0.37     b   ?
Tm 3   F  -1    1.842    0.37     b   ?
Tm 3   F  -1    1.86     0.40     p   ?
Tm 3   F  -1    1.91     0.37     e   unchecked
Tm 3   Cl -1    2.38     0.37     b   ?
Tm 3   Cl -1    2.35     0.40     p   ?
Tm 3   Br -1    2.53     0.37     b   ?
Tm 3   Br -1    2.50     0.40     p   ?
Tm 3   I  -1    2.74     0.37     b   ?
Tm 3   I  -1    2.74     0.40     p   ?
Tm 3   N  -3    2.14     0.37     b   ?
Tm 3   P  -3    2.53     0.37     b   ?
Tm 3   As -3    2.62     0.37     b   ?
Tm 3   H  -1    1.85     0.37     b   ?
U  2   O  -1    2.08     0.37     e   unchecked
U  3   S  -2    2.54     0.37     e   unchecked
U  3   F  -1    2.02     0.40     p   ?
U  3   F  -1    2.09     0.37     e   unchecked
U  3   Cl -1    2.49     0.40     p   ?
U  3   Br -1    2.64     0.40     p   ?
U  3   I  -1    2.87     0.40     p   ?
U  4   O  -2    2.112    0.37     b   ?
U  4   O  -2    2.13     0.35     p   ?
U  4   S  -2    2.55     0.37     e   unchecked
U  4   F  -1    2.038    0.37     a   ?
U  4   F  -1    2.034    0.37     b   ?
U  4   F  -1    2.00     0.40     p   ?
U  4   Cl -1    2.47     0.40     p   ?
U  4   Br -1    2.60     0.40     p   ?
U  4   Br -1    2.61     0.37     e   unchecked
U  4   I  -1    2.88     0.37     e   unchecked
U  4   N  -3    2.18     0.37     e   unchecked
U  5   O  -2    2.075    0.37     b   ?
U  5   O  -2    2.10     0.35     p   ?
U  5   F  -1    1.966    0.37     b   ? 
U  5   F  -1    1.99     0.40     p   ? 
U  5   Cl -1    2.46     0.37     b   ?
U  5   Cl -1    2.43     0.40     p   ?
U  5   Br -1    2.7      0.35     e   unchecked
U  6   O  -2    2.051    0.519    r   ?
U  6   O  -2    2.075    0.37     a   ?
U  6   O  -2    2.08     0.35     p   ?
U  6   F  -1    1.98     0.40     p   ?
U  6   Cl -1    2.42     0.40     p   ?     
U  6   N  -3    1.93     0.35     e   unchecked
U  9   Br -1    2.63     0.37     b   ?
U  9   I  -1    2.84     0.37     b   ?
U  9   S  -2    2.56     0.37     b   ?
U  9   Se -2    2.70     0.37     b   ?
U  9   Te -2    2.86     0.37     b   ?
U  9   N  -3    2.24     0.37     b   ?
U  9   P  -3    2.64     0.37     b   ?
U  9   As -3    2.72     0.37     b   ?
U  9   H  -1    1.97     0.37     b   ?
V  1   O  -2    1.88     0.37     e   unchecked                
V  1   Cl -1    2.00     0.35     e   unchecked
V  2   O  -2    1.70     0.37     e   unchecked
V  2   S  -2    2.11     0.37     e   unchecked
V  2   F  -1    2.16     0.37     e   unchecked
V  2   Cl -1    2.44     0.37     e   unchecked
V  3   O  -2    1.743    0.37     a   ?
V  3   O  -2    1.749    0.37     j   'from transition metal complexes'
V  3   S  -2    2.17     0.37     e   unchecked
V  3   S  -2    2.185    0.37     j   ?
V  3   F  -1    1.702    0.37     b   ? 
V  3   Cl -1    2.19     0.37     b   ?
V  3   Br -1    2.33     0.35     e   unchecked
V  3   N  -3    1.813    0.37     j   'from transition metal complexes'
V  3   N  -3    1.84     0.35     e   unchecked
V  4   O  -2    1.784    0.37     a   ?
V  4   O  -2    1.780    0.37     j   'from transition metal complexes'
V  4   O  -2    1.735    0.37     j   'vanadyl bond only'
V  4   S  -2    2.226    0.37     j   'from transition metal complexes'
V  4   S  -2    2.181    0.37     j   'vanadyl bond only'
V  4   S  -2    2.24     0.37     e   unchecked
V  4   F  -1    1.70     0.37     b   ?
V  4   Cl -1    2.16     0.37     b   ?
V  4   N  -3    1.875    0.37     j   'from transition metal complexes'
V  5   O  -2    1.803    0.37     a   ?
V  5   O  -2    1.799    0.37     x   ?
V  5   S  -2    2.25     0.37     e   unchecked
V  5   F  -1    1.70     0.37     e   unchecked
V  5   Cl -1    2.16     0.37     b   ?
V  9   O  -2    1.788    0.32     ag  'All oxidation states'
V  9   O  -2    1.81     0.34     o   ?
V  9   Br -1    2.30     0.37     b   ? 
V  9   I  -1    2.51     0.37     b   ? 
V  9   S  -2    2.23     0.37     b   ?
V  9   Se -2    2.33     0.37     b   ?
V  9   Te -2    2.57     0.37     b   ?
V  9   N  -3    1.86     0.37     b   ?
V  9   P  -3    2.31     0.37     b   ?
V  9   As -3    2.39     0.37     b   ?
V  9   H  -1    1.58     0.37     b   ?
W  5   O  -2    1.89     0.37     e   unchecked
W  6   O  -2    1.917    0.37     a   ?
W  6   O  -2    1.916    0.41     x   ?
W  6   O  -2    1.921    0.37     b   ?
W  6   F  -1    1.83     0.37     b   ? 
W  6   Cl -1    2.27     0.37     b   ? 
W  9   Br -1    2.45     0.37     b   ? 
W  9   I  -1    2.66     0.37     b   ?
W  9   S  -2    2.39     0.37     b   ?
W  9   Se -2    2.51     0.37     b   ? 
W  9   Te -2    2.71     0.37     b   ?
W  9   N  -3    2.06     0.37     b   ?
W  9   P  -3    2.46     0.37     b   ?
W  9   As -3    2.54     0.37     b   ?
W  9   H  -1    1.76     0.37     b   ?
Xe 2   O  -2    2.05     0.35     e   unchecked      
Xe 2   F  -1    2.02     0.37     e   unchecked
Xe 4   F  -1    1.93     0.37     e   unchecked
Xe 6   O  -2    2.00     0.37     e   unchecked
Xe 6   F  -1    1.89     0.37     e   unchecked
Xe 8   O  -2    1.94     0.37     e   unchecked
Y  3   O  -2    2.019    0.37     a   ?
Y  3   O  -2    2.014    0.37     b   ?
Y  3   S  -2    2.48     0.37     b   ?
Y  3   Se -2    2.61     0.37     b   ?
Y  3   Te -2    2.80     0.37     b   ?
Y  3   F  -1    1.904    0.37     b   ?
Y  3   F  -1    1.87     0.37     e   unchecked 
Y  3   Cl -1    2.40     0.37     b   ?
Y  3   Br -1    2.55     0.37     b   ? 
Y  3   I  -1    2.77     0.37     b   ? 
Y  3   N  -3    2.17     0.37     b   ?
Y  3   P  -3    2.57     0.37     b   ?
Y  3   As -3    2.64     0.37     b   ?
Y  3   H  -1    1.86     0.37     b   ?
Yb 3   O  -2    1.965    0.37     a   ?
Yb 3   O  -2    1.985    0.37     b   ?
Yb 3   O  -2    1.954    0.37     ae  'from transition metal complexes'
Yb 3   S  -2    2.43     0.37     b   ? 
Yb 3   Se -2    2.56     0.37     b   ?
Yb 3   Te -2    2.76     0.37     b   ?
Yb 3   F  -1    1.875    0.37     b   ?
Yb 3   F  -1    1.85     0.40     p   ?
Yb 3   F  -1    1.90     0.37     e   unchecked
Yb 3   Cl -1    2.371    0.37     b   ?
Yb 3   Cl -1    2.34     0.40     p   ?
Yb 3   Br -1    2.451    0.37     b   ?
Yb 3   Br -1    2.49     0.40     p   ?
Yb 3   I  -1    2.72     0.37     b   ?
Yb 3   I  -1    2.74     0.40     p   ?
Yb 3   N  -3    2.064    0.37     ah  ?
Yb 3   N  -3    2.12     0.37     b   ?
Yb 3   P  -3    2.53     0.37     b   ?
Yb 3   As -3    2.59     0.37     b   ?
Yb 3   H  -1    1.82     0.37     b   ?
Zn 2   O  -2    1.704    0.37     a   ?
Zn 2   O  -2    1.675    0.39     o   ?
Zn 2   S  -2    2.09     0.37     b   ?
Zn 2   Se -2    2.22     0.37     b   ?
Zn 2   Te -2    2.45     0.37     b   ?
Zn 2   F  -1    1.62     0.37     b   ?
Zn 2   F  -1    1.67     0.37     e   unchecked
Zn 2   Cl -1    2.01     0.37     b   ?
Zn 2   Br -1    2.15     0.37     b   ?
Zn 2   I  -1    2.36     0.37     b   ?
Zn 2   N  -3    1.72     0.37     e   unchecked
Zn 2   P  -3    2.15     0.37     b   ?
Zn 2   As -3    2.24     0.37     b   ?
Zn 2   H  -1    1.42     0.37     b   ?
Zr 2   O  -2    2.34     0.37     e   unchecked      
Zr 2   F  -1    2.24     0.37     e   unchecked
Zr 2   Cl -1    2.58     0.37     e   unchecked
Zr 4   O  -2    1.928    0.37     a   ?
Zr 4   O  -2    1.937    0.37     b   ?
Zr 4   S  -2    2.41     0.37     b   ?
Zr 4   Se -2    2.53     0.37     b   ?
Zr 4   Te -2    2.67     0.37     b   ?
Zr 4   F  -1    1.846    0.37     a   ?
Zr 4   F  -1    1.854    0.37     b   ?
Zr 4   Cl -1    2.33     0.37     b   ?
Zr 4   Br -1    2.48     0.37     b   ? 
Zr 4   I  -1    2.69     0.37     b   ?
Zr 4   N  -3    2.11     0.37     b   ?
Zr 4   N  -3    2.15     0.37     e   unchecked
Zr 4   P  -3    2.52     0.37     b   ?
Zr 4   As -3    2.57     0.37     b   ?
Zr 4   H  -1    1.79     0.37     b   ?

// Ionic radii encoding
// *data = maximum oxidation state
// *(data+1) = minimum oxidation state
// n(ICSD) = oxmax - oxmin + 1
// *(data+2+3*k) = ICSD radius (oxmin <= k <= oxmax
// SP = data+2+3*N(ICSD) = Pointer to Shannon-Prewitt (S-P) radii
// Each S-P data encoded on 16 bytes
// SP[0-1] = oxidation state
// SP[2-4] = electronic configuration
// SP[5] = number of stored coordinences
// SP[6-7] = coordination number
// SP[8-11] = crystallographic radius
// SP[12-15] = effective ionic radius


//Bob header file with standard color definitions

#define aquamarine (0.498039 1.000000 0.831373)
#define black (0.000000 0.000000 0.000000)
#define blue (0.000000 0.000000 1.000000)
#define blue_violet (0.541176 0.168627 0.886275)
#define royal_blue (0.254902 0.411765 0.882353)
#define bisque (1.000000 0.894118 0.768627)
#define brown (0.647059 0.164706 0.164706)
#define cadet_blue (0.372549 0.619608 0.627451)
#define flesh (0.862745 0.588235 0.509804)
#define dummy (0.007843 0.007843 0.007843)
#define chrome (0.400000 0.400000 0.501961)
#define concrete (0.600000 0.600000 0.600000)
#define coral (1.000000 0.498039 0.313725)
#define cornflower_blue (0.392157 0.584314 0.929412)
#define crystal (0.980392 0.980392 0.980392)
#define cyan (0.000000 1.000000 1.000000)
#define burly_wood (0.870588 0.721569 0.529412)
#define dark_salmon (0.913725 0.588235 0.478431)
#define dark_grey (0.329412 0.329412 0.329412)
#define dark_khaki (0.741176 0.717647 0.419608)
#define dark_olive_green (0.333333 0.419608 0.184314)
#define dark_orchid (0.600000 0.196078 0.800000)
#define dark_see_green (0.560784 0.737255 0.560784)
#define dark_slate_blue (0.282353 0.239216 0.545098)
#define dark_orange (1.000000 0.549020 0.000000)
#define dark_slate_grey (0.184314 0.309804 0.309804)
#define dark_tan (0.509804 0.349020 0.262745)
#define dark_turquoise (0.000000 0.807843 0.819608)
#define dark_wood (0.509804 0.349020 0.262745)
#define dodger_blue (0.117647 0.564706 1.000000)
#define deep_pink (1.000000 0.078431 0.576471)
#define dim_grey (0.411765 0.411765 0.411765)
#define felt (0.066667 0.270588 0.066667)
#define firebrick (0.698039 0.133333 0.133333)
#define forest_green (0.133333 0.545098 0.133333)
#define glass (0.901961 0.901961 0.901961)
#define gold (1.000000 0.843137 0.000000)
#define goldenrod (0.854902 0.647059 0.125490)
#define chocolate (0.823529 0.411765 0.117647)
#define sulphur_yellow (1.000000 0.784314 0.196078)
#define green (0.000000 1.000000 0.000000)
#define green_yellow (0.678431 1.000000 0.184314)
#define grey (0.749020 0.749020 0.749020)
#define ice (0.976471 0.976471 0.976471)
#define indian_red (0.803922 0.360784 0.360784)
#define khaki (0.941176 0.901961 0.549020)
#define tomato (1.000000 0.388235 0.278431)
#define light_blue (0.678431 0.847059 0.901961)
#define light_coral (0.941176 0.501961 0.501961)
#define light_grey (0.827451 0.827451 0.827451)
#define light_sky_blue (0.529412 0.807843 0.980392)
#define light_steel_blue (0.690196 0.768627 0.870588)
#define light_wood (0.858824 0.576471 0.439216)
#define lime_green (0.196078 0.803922 0.196078)
#define magenta (1.000000 0.000000 1.000000)
#define marble (0.800000 0.800000 0.800000)
#define maroon (0.690196 0.188235 0.376471)
#define medium_aquamarine (0.400000 0.803922 0.666667)
#define medium_blue (0.000000 0.000000 0.803922)
#define medium_violet_red (0.780392 0.082353 0.521569)
#define medium_turquoise (0.282353 0.819608 0.800000)
#define medium_goldenrod (0.917647 0.917647 0.678431)
#define olive_drab (0.419608 0.556863 0.137255)
#define medium_grey (0.498039 0.498039 0.498039)
#define medium_orchid (0.729412 0.333333 0.827451)
#define medium_purple (0.576471 0.439216 0.858824)
#define medium_sea_green (0.235294 0.701961 0.443137)
#define medium_slate_blue (0.482353 0.407843 0.933333)
#define medium_spring_green (0.000000 0.980392 0.603922)
#define medium_tan (0.858824 0.576471 0.439216)
#define misty_rose (1.000000 0.894118 0.882353)
#define mint_cream (0.960784 1.000000 0.980392)
#define peru (0.803922 0.521569 0.247059)
#define midnight_blue (0.098039 0.098039 0.439216)
#define mortar (0.600000 0.600000 0.600000)
#define moccasin (1.000000 0.894118 0.709804)
#define navy_blue (0.000000 0.000000 0.501961)
#define orange (1.000000 0.647059 0.000000)
#define orange_red (1.000000 0.270588 0.000000)
#define orchid (0.854902 0.439216 0.839216)
#define pale_green (0.596078 0.984314 0.596078)
#define pink (1.000000 0.752941 0.796078)
#define plum (0.866667 0.627451 0.866667)
#define red (1.000000 0.000000 0.000000)
#define red_wine (1.000000 0.200000 0.400000)
#define salmon (0.980392 0.501961 0.447059)
#define sea_green (0.180392 0.545098 0.341176)
#define sienna (0.627451 0.321569 0.176471)
#define silver (0.752941 0.752941 0.752941)
#define sandy_brown (0.956863 0.643137 0.376471)
#define sky_blue (0.529412 0.807843 0.921569)
#define slate_blue (0.415686 0.352941 0.803922)
#define spring_green (0.000000 1.000000 0.498039)
#define steel_blue (0.274510 0.509804 0.705882)
#define thistle (0.847059 0.749020 0.847059)
#define turquoise (0.250980 0.878431 0.815686)
#define violet (0.933333 0.509804 0.933333)
#define violet_red (0.815686 0.125490 0.564706)
#define wheat (0.960784 0.870588 0.701961)
#define white (1.000000 1.000000 1.000000)
#define wood (0.858824 0.576471 0.439216)
#define yellow (1.000000 1.000000 0.000000)
#define yellow_green (0.603922 0.803922 0.196078)
#define alice_blue (0.941176 0.972549 1.000000)
#define antique_white (0.980392 0.921569 0.843137)
#define azure (0.878431 0.933333 0.933333)
#define beige (0.960784 0.960784 0.862745)
#define blanched_almond (1.000000 0.921569 0.803922)
#define chartreuse (0.498039 1.000000 0.000000)
#define corn_silk (1.000000 0.972549 0.862745)
#define dark_goldenrod (0.721569 0.525490 0.043137)
#define dark_violet (0.580392 0.000000 0.827451)
#define dark_green (0.000000 0.392157 0.000000)
#define deep_sky_blue (0.000000 0.749020 1.000000)
#define floral_white (1.000000 0.980392 0.941176)
#define gainsboro (0.862745 0.862745 0.862745)
#define ghost_white (0.972549 0.972549 1.000000)
#define honey_dew (0.941176 1.000000 0.941176)
#define hot_pink (1.000000 0.411765 0.705882)
#define ivory (1.000000 1.000000 0.941176)
#define lavender_blush (1.000000 0.941176 0.960784)
#define lavender (0.901961 0.901961 0.980392)
#define lawn_green (0.486275 0.988235 0.000000)
#define lemon_chiffon (1.000000 0.980392 0.803922)
#define light_goldenrod (0.933333 0.866667 0.509804)
#define light_pink (1.000000 0.713725 0.756863)
#define light_salmon (1.000000 0.627451 0.478431)
#define dim_brown (.384 .096 .096)

#define glass surface { transparent .9 .9 .9 ior 1.3 shine 30 .7 .7 .7 }
#define crystal surface { transparent .98 .98 .98 ior 1.52 shine 100 white }
#define red_wine surface { transparent 1 .2 .4 ior 1.3 shine 20 }
#define charcoal surface {diff black spec .1 .1 .1 shine 100 white }
#define brick surface {diff firebrick fuzz .1}
#define mortar  surface {diff .6 .6 .6 fuzz .4}
#define metal surface {diff steel_blue spec .5 .5 .5 shine 30}
#define chrome  surface {diff steel_blue spec .4 .4 .5 shine 30}
#define grass  surface {diff forest_green }
#define lake   surface  { ambient .1 .1 .2 diff .1 .2 .2 spec .1 .1 .3}
#define concrete surface { diff .6 .6 .6 }
#define felt surface { diff .065 .27 .065 fuzz .2 no_antialias }
#define hot_rod { diff steel_blue spec .3 .3 .3 shine 400 white }
#define light_wood \
surface { \
	texture { \
		 pattern noise \
		 scale 1 .01 .01 \
		 terms 2 \
		 surf {diff brown shine 100 white } \
		 surf {diff medium_tan shine 100 white } \
	} \
}
#define dark_wood \
surface { \
	texture { \
		 pattern noise \
		 scale 1 .01 .01 \
		 terms 2 \
		 surf {diff dim_brown shine 20 white } \
		 surf {diff dark_tan shine 20 white } \
	} \
}
#define wood \
surface { \
		texture { \
				turbulence {scale .1 .9 1 amp .3 terms 3 } \
				pattern spherical \
				scale 0 1 1 \
				translate 0 0 5 \
				blend .5 \
				radius .02 radius .05 \
				dark_wood light_wood \
		} \
}
#define marble  \
surface { \
	 texture{ \
	   pattern spherical \
	   translate 0 1 0 \
	   turbulence {terms 7 amp 6} \
	   blend .8 \
	   radius .5 \
	   radius 2 \
	   surf {diff 0 .1 .2 shine 20 white} \
	   surf {diff .8 .8 .8 shine 20 white } \
	 } \
}
#define ice   \
surface { \
	spec .7 .85 .9 \
	shine 30 \
	transparent 1 .975 .975 \
	ior 1.21 \
	ambient 0 .05 .05 \
}
#define sky \
surface {    \
	texture {   \
		pattern checker  \
		scale 14 23 0  \
		blend .8  \
		turbulence { amp 3 terms 4 }   \
		surface { amb white }  \
		surface { amb sky_blue } \
	}    \
}
#define checker \
surface { \
	texture { \
		pattern checker \
		scale 1 1 0 \
		surf {diff black shine 20} \
		surf {diff white shine 20} \
	} \
}