PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methylethyl sulfone
2142 Methylethyl sulfone
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ΔHf: -97.6 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Methylethyl sulfone
H=-97.6 HR=C&P1970
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.80134400 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52360534 +1 110.7189797 +1 0.0000000 +0 2 1 0
C 1.78730898 +1 104.1157710 +1 -179.9521526 +1 1 2 3
H 1.09963232 +1 110.2716355 +1 179.7649555 +1 4 1 2
O 1.44731162 +1 108.0112409 +1 -65.9469984 +1 1 2 3
O 1.44720731 +1 107.9879475 +1 66.1877221 +1 1 2 3
H 1.10538239 +1 110.2761748 +1 121.5652818 +1 2 1 3
H 1.10540166 +1 110.2523845 +1 -121.5388795 +1 2 1 3
H 1.09387241 +1 112.4298991 +1 -61.7421911 +1 4 1 2
H 1.09382813 +1 112.4596989 +1 61.2514957 +1 4 1 2
H 1.10086443 +1 112.2455240 +1 -60.5150633 +1 3 2 1
H 1.10088610 +1 112.2574217 +1 60.3791648 +1 3 2 1
H 1.09743419 +1 111.1019413 +1 179.9370623 +1 3 2 1