PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
di-n-propyl sulfone
2149 Di-n-propyl sulfone
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ΔHf: -111.9 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-propyl sulfone
H=-111.92 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53021789 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53117952 +1 110.5711161 +1 0.0000000 +0 2 1 0
S 1.79978247 +1 111.4173825 +1 -179.9052210 +1 3 2 1
C 1.79970688 +1 103.7541445 +1 -179.6203983 +1 4 3 2
C 1.53217557 +1 111.0956621 +1 179.7953805 +1 5 4 3
C 1.52984546 +1 110.5626727 +1 -179.9719877 +1 6 5 4
O 1.44813431 +1 107.8243591 +1 114.1943363 +1 4 3 5
O 1.44807519 +1 107.8338341 +1 131.6128937 +1 4 3 8
H 1.09520045 +1 111.6959559 +1 -60.0904701 +1 1 2 3
H 1.09522248 +1 111.6746966 +1 120.7297286 +1 1 2 10
H 1.09642878 +1 110.9936545 +1 119.6158604 +1 1 2 11
H 1.11124009 +1 109.4715911 +1 122.2512867 +1 2 1 3
H 1.11129016 +1 109.4394662 +1 115.5134790 +1 2 1 13
H 1.10552652 +1 109.4202673 +1 121.9880941 +1 3 2 4
H 1.10574234 +1 109.3372702 +1 115.9949878 +1 3 2 15
H 1.10527166 +1 110.1933353 +1 121.3552932 +1 5 4 6
H 1.10503157 +1 110.2590640 +1 117.1647104 +1 5 4 17
H 1.11122848 +1 110.7193799 +1 121.5446221 +1 6 5 7
H 1.11132607 +1 110.6795949 +1 116.9856254 +1 6 5 19
H 1.09529751 +1 111.6926959 +1 -60.4046448 +1 7 6 5
H 1.09533220 +1 111.6994754 +1 120.7161750 +1 7 6 21
H 1.09655047 +1 111.0183630 +1 119.6320249 +1 7 6 22