PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
thiacyclohexane
2091 Thiacyclohexane
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ΔHf: -15.1 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Thiacyclohexane
H=-15.12,0.18 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52372908 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53496077 +1 112.2627192 +1 0.0000000 +0 2 1 0
C 1.53453186 +1 112.3310058 +1 64.4957801 +1 3 2 1
C 1.52312518 +1 112.1425262 +1 -65.0402445 +1 4 3 2
S 1.83395794 +1 111.4223832 +1 60.0072709 +1 5 4 3
H 1.10623026 +1 111.0689041 +1 -178.1743181 +1 1 2 3
H 1.10464860 +1 110.9427148 +1 63.2770295 +1 1 2 3
H 1.10916318 +1 109.4429195 +1 -121.6593884 +1 2 1 3
H 1.10950455 +1 110.5538049 +1 122.8776683 +1 2 1 3
H 1.10780151 +1 109.2576445 +1 -174.1619054 +1 3 2 1
H 1.10645056 +1 109.9885533 +1 -58.5839536 +1 3 2 1
H 1.10980573 +1 109.3186153 +1 173.5560731 +1 4 3 2
H 1.10919108 +1 109.7989111 +1 58.6217492 +1 4 3 2
H 1.10588061 +1 111.1676582 +1 178.9385060 +1 5 4 3
H 1.10439085 +1 111.0257703 +1 -62.2757166 +1 5 4 3