PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
di-n-butyl sulfite
2175 Di-n-butyl sulfite
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ΔHf: -149.4 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
Di-n-butyl sulfite
H=-149.4 HR=NIST
O -0.35883076 +1 0.59538470 +1 0.06809763 +1
S 1.28739711 +1 0.51531611 +1 -0.12062979 +1
O 1.66200473 +1 2.12784607 +1 -0.00760129 +1
C -1.25532801 +1 0.82579047 +1 -0.99933665 +1
C 1.67192285 +1 3.01135077 +1 -1.11016935 +1
O 1.50688880 +1 0.15706109 +1 -1.52386201 +1
C -2.64666277 +1 0.70048496 +1 -0.36848182 +1
C 2.09933940 +1 4.35876047 +1 -0.51703203 +1
C -3.72938744 +1 0.92755543 +1 -1.42716358 +1
C 2.22635686 +1 5.41034888 +1 -1.62254123 +1
C -5.12273869 +1 0.85066579 +1 -0.80309605 +1
C 2.59325100 +1 6.77166798 +1 -1.03085941 +1
H -1.08559781 +1 0.06835629 +1 -1.78851726 +1
H -1.08136445 +1 1.83852009 +1 -1.40502269 +1
H 0.66028788 +1 3.05906136 +1 -1.55107197 +1
H 2.39240275 +1 2.64016416 +1 -1.86379577 +1
H -2.74605440 +1 1.42668251 +1 0.46103619 +1
H -2.75441341 +1 -0.29522885 +1 0.10128477 +1
H 3.05688753 +1 4.23919675 +1 0.02465376 +1
H 1.36956069 +1 4.67833773 +1 0.25082080 +1
H -3.63707093 +1 0.17549310 +1 -2.23412761 +1
H -3.59052515 +1 1.91355631 +1 -1.91180950 +1
H 1.27805870 +1 5.49024959 +1 -2.18778274 +1
H 2.99376231 +1 5.09915992 +1 -2.35735417 +1
H -5.90539848 +1 0.96897035 +1 -1.56103737 +1
H -5.26984383 +1 1.63588184 +1 -0.05315785 +1
H -5.28665804 +1 -0.11318823 +1 -0.30759899 +1
H 2.73394446 +1 7.52195757 +1 -1.81674354 +1
H 3.52343293 +1 6.71955506 +1 -0.45403979 +1
H 1.81009495 +1 7.13977513 +1 -0.35842261 +1