PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
triphenylstibine
5624 Triphenylstibine
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ΔHf: 104.1 kcal/mol, REF: G. M. Kolyakova, I. B. Rabinovich, E. N Zoria, Dokl. Akad. Nauk SSSR, 209, 616 (1973).
I.P.: 8.1 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
PM7
Triphenylstibine
H=104.1 HR=KRZ1973 I=8.08 IR=LLNBS82
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.18145867 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.40119176 +1 122.7263588 +1 0.0000000 +0 2 1 0
C 1.39662839 +1 120.6045040 +1 -178.2880465 +1 3 2 1
C 1.39168126 +1 120.3220415 +1 -0.1741374 +1 4 3 2
C 1.39199956 +1 119.5803240 +1 -0.2540987 +1 5 4 3
C 1.39636067 +1 120.3451219 +1 0.1669049 +1 6 5 4
H 1.09829502 +1 122.9497380 +1 1.3813419 +1 3 2 1
H 1.08808699 +1 119.6864756 +1 179.7276574 +1 4 3 2
H 1.08794355 +1 120.2167737 +1 179.8385158 +1 5 4 3
H 1.08765695 +1 119.8937680 +1 -179.7905142 +1 6 5 4
H 1.09754046 +1 116.3146724 +1 -179.6730563 +1 7 6 5
C 2.18096665 +1 94.9869113 +1 2.8764333 +1 1 2 3
C 1.40108867 +1 122.4743978 +1 98.6985018 +1 13 1 2
C 1.39673601 +1 120.5884109 +1 -178.4569801 +1 14 13 1
C 1.39159125 +1 120.3320163 +1 -0.0704886 +1 15 14 13
C 1.39228646 +1 119.5704898 +1 -0.2958642 +1 16 15 14
C 1.39624491 +1 120.3564230 +1 0.0972012 +1 17 16 15
H 1.09830110 +1 122.9627901 +1 1.3280860 +1 14 13 1
H 1.08813249 +1 119.6592244 +1 179.8757515 +1 15 14 13
H 1.08792030 +1 120.2259884 +1 179.8112405 +1 16 15 14
H 1.08766403 +1 119.8746305 +1 -179.8320369 +1 17 16 15
H 1.09748969 +1 116.3321956 +1 -179.5014788 +1 18 17 16
C 2.18115189 +1 94.8496233 +1 98.2236972 +1 1 2 3
C 1.40168997 +1 122.3680531 +1 -8.6571521 +1 24 1 2
C 1.39619821 +1 120.5997597 +1 -177.8640042 +1 25 24 1
C 1.39192267 +1 120.3113004 +1 -0.1249431 +1 26 25 24
C 1.39180842 +1 119.5862666 +1 -0.2309975 +1 27 26 25
C 1.39677689 +1 120.3562417 +1 0.1357152 +1 28 27 26
H 1.09861980 +1 122.9389762 +1 2.0532709 +1 25 24 1
H 1.08816749 +1 119.6963440 +1 179.8446507 +1 26 25 24
H 1.08794368 +1 120.2044208 +1 179.8786121 +1 27 26 25
H 1.08749760 +1 119.8959554 +1 -179.8061106 +1 28 27 26
H 1.09737114 +1 116.3194128 +1 -179.6043756 +1 29 28 27