PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sb(c6h5)3r
5623 Triphenyl stibine (Geo)
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REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
PM7
Triphenyl stibine
<Sb-C> <><C-Sb-C> GR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.18942800 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.17816864 +1 97.9973710 +1 0.0000000 +0 1 2 0
C 2.18183885 +1 94.5625443 +1 -95.4966802 +1 1 2 3
C 1.40090730 +1 122.4654922 +1 94.5534708 +1 2 1 3
C 1.39649679 +1 120.5453233 +1 -179.3694986 +1 5 2 1
C 1.39173491 +1 120.3246414 +1 -0.0156179 +1 6 5 2
C 1.39197494 +1 119.5935543 +1 -0.1968595 +1 7 6 5
C 1.39655786 +1 120.3458761 +1 0.0977592 +1 8 7 6
C 1.40164468 +1 122.5042116 +1 -1.9059817 +1 3 1 2
C 1.39634239 +1 120.5189450 +1 -178.1906614 +1 10 3 1
C 1.39192018 +1 120.3085845 +1 -0.0778306 +1 11 10 3
C 1.39186153 +1 119.6196720 +1 -0.2672485 +1 12 11 10
C 1.39669645 +1 120.3652494 +1 0.1342529 +1 13 12 11
C 1.40144709 +1 122.5013170 +1 92.7444847 +1 4 1 2
C 1.39639759 +1 120.5811425 +1 -178.1464912 +1 15 4 1
C 1.39177258 +1 120.3336849 +1 -0.0946286 +1 16 15 4
C 1.39190131 +1 119.5770795 +1 -0.2522019 +1 17 16 15
C 1.39653410 +1 120.3526981 +1 0.1227906 +1 18 17 16
H 1.09825242 +1 122.9764638 +1 179.7918660 +1 5 2 6
H 1.08813005 +1 119.6860942 +1 179.9198706 +1 6 5 7
H 1.08796692 +1 120.2081906 +1 -179.9729339 +1 7 6 8
H 1.08756824 +1 119.8940779 +1 179.9774125 +1 8 7 9
H 1.09728102 +1 116.3507706 +1 -179.7697709 +1 9 8 7
H 1.09810199 +1 122.9218469 +1 179.9049095 +1 10 3 11
H 1.08817417 +1 119.7181710 +1 179.9408726 +1 11 10 12
H 1.08799250 +1 120.1916811 +1 -179.9250978 +1 12 11 13
H 1.08766274 +1 119.8977077 +1 -179.9691745 +1 13 12 14
H 1.09759375 +1 116.3669888 +1 -179.6161905 +1 14 13 12
H 1.09831620 +1 122.9523878 +1 179.9799932 +1 15 4 16
H 1.08817308 +1 119.6802019 +1 179.9701378 +1 16 15 17
H 1.08792965 +1 120.2161775 +1 -179.9158495 +1 17 16 18
H 1.08760187 +1 119.8986681 +1 -179.9484909 +1 18 17 19
H 1.09744002 +1 116.3353772 +1 -179.6166421 +1 19 18 17