PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diethyl sulfone
2145 Diethyl sulfone
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ΔHf: -102.5 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Diethyl sulfone
H=-102.5 HR=C&P1970
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.80382511 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52315623 +1 110.7296223 +1 0.0000000 +0 2 1 0
C 1.80371233 +1 103.4826332 +1 -179.8553246 +1 1 2 3
C 1.52317233 +1 110.7114829 +1 -179.9609209 +1 4 1 2
O 1.44782723 +1 107.8035128 +1 -65.8065786 +1 1 2 3
O 1.44782292 +1 107.7731195 +1 66.1138715 +1 1 2 3
H 1.10532658 +1 110.1454352 +1 -58.3532544 +1 2 1 4
H 1.10534462 +1 110.1282379 +1 58.6395617 +1 2 1 4
H 1.10094861 +1 112.2466751 +1 -60.5158885 +1 3 2 1
H 1.10097981 +1 112.2572944 +1 60.3598523 +1 3 2 1
H 1.09757823 +1 111.0880879 +1 179.9267396 +1 3 2 1
H 1.10528576 +1 110.1387275 +1 -58.4696982 +1 4 1 2
H 1.10530918 +1 110.1423626 +1 58.5352773 +1 4 1 2
H 1.10095014 +1 112.2493462 +1 60.5356684 +1 5 4 1
H 1.09757365 +1 111.0864027 +1 -179.9131444 +1 5 4 1
H 1.10096616 +1 112.2630702 +1 -60.3546082 +1 5 4 1