PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diphenyl disulfone
2272 Diphenyl disulfone
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ΔHf: -115.0 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.
PM7
Diphenyl disulfone
H=-115.04 HR=NIST HWT=0.5
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39425467 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39392458 +1 120.0092314 +1 0.0000000 +0 2 1 0
C 1.39423407 +1 119.7243781 +1 0.1295761 +1 3 2 1
C 1.39420162 +1 120.4097861 +1 -0.3934384 +1 4 3 2
C 1.39380057 +1 119.7212459 +1 0.4245540 +1 5 4 3
S 1.75710796 +1 119.7830922 +1 -179.1190068 +1 4 3 5
S 2.13464714 +1 107.0875469 +1 -90.2415592 +1 7 4 3
C 1.75705278 +1 107.1743119 +1 -179.9157184 +1 8 7 4
C 1.39418096 +1 119.7908000 +1 90.3560325 +1 9 8 7
C 1.39395654 +1 119.7219280 +1 179.4758534 +1 10 9 8
C 1.39424406 +1 120.0228991 +1 -0.2050685 +1 11 10 9
C 1.39429178 +1 120.1022490 +1 -0.0689935 +1 12 11 10
C 1.39376882 +1 120.0176449 +1 0.1148492 +1 13 12 11
O 1.44467006 +1 108.7857697 +1 -113.6304703 +1 7 4 8
O 1.44461400 +1 108.8088279 +1 -132.7025733 +1 7 4 15
O 1.44467357 +1 105.5384783 +1 -115.8633011 +1 8 7 9
O 1.44470308 +1 105.5027479 +1 -128.3162404 +1 8 7 17
H 1.08965531 +1 119.9380520 +1 -179.8929244 +1 1 2 3
H 1.08809192 +1 120.0259563 +1 179.9210787 +1 2 1 3
H 1.09702630 +1 119.1808626 +1 -179.8502283 +1 3 2 4
H 1.09703070 +1 121.0925129 +1 -179.8695288 +1 5 4 6
H 1.08809367 +1 119.9617453 +1 179.7687478 +1 6 5 4
H 1.09703468 +1 121.0950594 +1 -179.8912291 +1 10 9 11
H 1.08809902 +1 119.9480308 +1 179.9481529 +1 11 10 12
H 1.08967697 +1 119.9514191 +1 179.9944853 +1 12 11 13
H 1.08811151 +1 120.0195432 +1 179.9196638 +1 13 12 14
H 1.09702945 +1 119.1932872 +1 -179.7364801 +1 14 13 12