PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
triphenyl phenylethynyl tin
5509 Triphenyl phenylethynyl tin
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ΔHf: 176.1 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PULAY PM7
Triphenyl phenylethynyl tin
H=176.1 HR=NIST
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 3.25430045 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.13659826 +1 109.6569402 +1 0.0000000 +0 1 2 0
C 1.40839702 +1 179.8160644 +1 93.7388811 +1 2 1 3
C 2.13581543 +1 109.0516880 +1 -120.3009794 +1 1 3 2
C 2.13580915 +1 109.5197856 +1 -120.1672125 +1 1 3 5
C 1.39582385 +1 120.7770709 +1 81.4898934 +1 6 1 3
C 1.39556527 +1 120.9387767 +1 -179.6248718 +1 7 6 1
C 1.39265324 +1 120.1213575 +1 -0.0328749 +1 8 7 6
C 1.39275040 +1 119.4587561 +1 -0.0891562 +1 9 8 7
C 1.39606001 +1 120.8027807 +1 -98.3325062 +1 6 1 3
C 1.39582722 +1 120.8380116 +1 134.8027547 +1 3 1 5
C 1.39549459 +1 120.9475553 +1 -179.6834003 +1 12 3 1
C 1.39271225 +1 120.1130754 +1 0.0019542 +1 13 12 3
C 1.39265911 +1 119.4679367 +1 -0.0124518 +1 14 13 12
C 1.39597259 +1 120.7475122 +1 -44.9058334 +1 3 1 5
C 1.40096761 +1 120.1584126 +1 -131.9761585 +1 4 2 11
C 1.39156038 +1 119.9289146 +1 -179.9797109 +1 17 4 2
C 1.39430671 +1 120.1300663 +1 0.0238393 +1 18 17 4
C 1.39424912 +1 120.0855539 +1 -0.0047420 +1 19 18 17
C 1.40116205 +1 120.0431508 +1 -179.9598620 +1 4 2 17
C 1.39608511 +1 120.5984659 +1 -19.7066164 +1 5 1 3
C 1.39524505 +1 120.9626094 +1 -179.6693198 +1 22 5 1
C 1.39274303 +1 120.1070304 +1 0.0513993 +1 23 22 5
C 1.39265624 +1 119.4572945 +1 -0.0613418 +1 24 23 22
C 1.39572297 +1 120.9879854 +1 160.6087540 +1 5 1 3
C 2.03959963 +1 109.6699598 +1 -104.9668241 +1 1 3 12
H 1.09110895 +1 121.2371130 +1 0.5794145 +1 7 6 1
H 1.08678617 +1 119.9878881 +1 -179.9805127 +1 8 7 6
H 1.08665555 +1 120.2790068 +1 179.9901473 +1 9 8 7
H 1.08677283 +1 119.8623539 +1 -179.8961772 +1 10 9 8
H 1.09151464 +1 121.1876693 +1 -0.4956728 +1 11 6 1
H 1.09148172 +1 121.1652731 +1 0.1937277 +1 12 3 1
H 1.08686917 +1 119.9956011 +1 -179.9961987 +1 13 12 3
H 1.08667452 +1 120.2691839 +1 -179.9942385 +1 14 13 12
H 1.08677129 +1 119.8843237 +1 -179.9707331 +1 15 14 13
H 1.09106602 +1 121.2446618 +1 -0.3905584 +1 16 3 1
H 1.08876402 +1 119.6569356 +1 0.0280130 +1 17 4 2
H 1.08894369 +1 119.8973514 +1 -179.9927308 +1 18 17 4
H 1.08839690 +1 119.9590605 +1 179.9872025 +1 19 18 17
H 1.08884244 +1 119.9709561 +1 179.9725653 +1 20 19 18
H 1.08850232 +1 119.6801036 +1 -0.0129810 +1 21 4 2
H 1.09157244 +1 121.1879936 +1 0.4642921 +1 22 5 1
H 1.08671078 +1 120.0107830 +1 -179.9527076 +1 23 22 5
H 1.08661285 +1 120.2885717 +1 179.9655783 +1 24 23 22
H 1.08684082 +1 119.8685746 +1 -179.9803466 +1 25 24 23
H 1.09107928 +1 121.2263580 +1 -0.4623444 +1 26 5 1