Group Fd Fp^2 Eh Vm
CH2 270 0 0 16.1
CH 80 0 0 -0.1
OH 210 250000 20000 10
O 100 160000 3000 3.8
Ring 190 0 0 16
Va
Sd
Sp
Sh
St
Solvant V1 Sd Sp Sh
89.4 18.4 1 2.9
106.8 18 1.4 2
55.4 15.3 6.1 3.9
63.9 18.2 6.3 7.8
80.7 17.6 3 4.2
102.1 18.9 4.3 2
76.9 15.8 3.1 5.7
72.5 17.8 1.8 5.3
79.9 19 10.2 3.7
81.7 16.8 5.7 8
85.7 19 1.8 7.4
74 15.5 10.4 6.9
80.9 19 8.8 5.9
77 17.4 13.7 11.2
60 20.3 0 0
40.7 15.1 12.2 22.2
66.8 15.8 8.8 19.4
18 15.5 16 42.3
DS
0 0.5 1 1.5 2 2.5
4 4.5 5 5.5 6 6.5
5 5 5 5 5 5
3 2.5 2 1.5 1 0.5
3.5 4 4.5 5 5.5 6
1 1 1 1 1 1
123.2 128.15 133.1 138.05 143 147.95
21.50974026 21.303160359 21.111945905 20.934444042 20.769230769 20.61507266
9.2901973557 8.7766070068 8.2985432135 7.8520403436 7.4336684005 7.040441587
23.921543841 21.995636782 20.048775985 18.054607497 15.976381169 13.75693011
33.484577834 31.853751887 30.274304251 28.738029452 27.237201176 25.764358415
Xsp
0 0.5 1 1.5 2 2.5
2.97319674063 2.48345615133 2.03927753107 1.63624964215 1.27106787452 0.94170945502
3.82840948127 3.21931729165 2.66454511812 2.158502745 1.69680293337 1.27635378496
1.89601042444 1.60583117367 1.34408933059 1.10822628059 0.8964396228 0.70785890821
1.20960143556 0.95235224852 0.72710182048 0.53184871142 0.36575606577 0.2296602705
2.39234826026 1.97830975106 1.6054516668 1.27015264776 0.96991902263 0.70367084957
3.29285574345 2.73817578302 2.23346777549 1.77360325697 1.35457441085 0.97358734919
2.33136520942 1.95035114917 1.60986814393 1.30672633015 1.03897048354 0.80629006933
2.00995606328 1.65262654687 1.33276176084 1.04733263756 0.79442764002 0.57360580829
2.10394738229 1.7316651717 1.39674658273 1.09584446056 0.82662815836 0.58802671297
1.75651554978 1.41692457327 1.11934950583 0.86116842253 0.64128481713 0.46079511455
1.83809303081 1.46796382846 1.1418117892 0.85671297771 0.61127961052 0.40629765477
1.95082163807 1.63625748176 1.35876260091 1.11579241876 0.90606964706 0.73009218759
1.71531515607 1.37283519907 1.06912528568 0.80130993603 0.5677742942 0.36862504539
1.16006598847 0.94040241258 0.75796911809 0.61141407927 0.50108803924 0.42998026845
2.41349886651 2.05191199992 1.71987185965 1.41392508372 1.13113323073 0.86898069654
0.43311528212 0.40824858961 0.40515595531 0.42444713849 0.46820985066 0.54104517583
0.61104729091 0.51717054935 0.45918554651 0.43742457746 0.45441976171 0.51637386291
0.57459235838 0.65294101728 0.74148961819 0.84170098282 0.9561417856 1.08938035995
3
7
5
0
6.5
1
152.9
20.47089601
6.6697442951
11.293110119
24.312083592
3
0.64812524111
0.89588743021
0.54314576606
0.12753735572
0.47269156967
0.62957156083
0.61127919154
0.38699618389
0.38105226429
0.32491197694
0.24658497367
0.59162491557
0.2070739803
0.40630005493
0.62530163492
0.65281577389
0.6370906215
1.25032262412