PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cyclohexanethiol
2093 Cyclohexanethiol
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ΔHf: -23.0 kcal/mol, REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
PM7
Cyclohexanethiol
HR=CATCH H=-22.96
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53059924 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53730331 +1 109.7618561 +1 0.0000000 +0 2 1 0
C 1.53384677 +1 110.6945396 +1 57.0375853 +1 3 2 1
C 1.53365187 +1 110.6065063 +1 -56.8515423 +1 4 3 2
C 1.52975259 +1 110.9197062 +1 -58.5735858 +1 1 2 3
S 1.84958946 +1 111.1541255 +1 177.1399831 +1 1 2 3
H 1.11737119 +1 109.4600287 +1 62.5523121 +1 1 2 3
H 1.10754348 +1 110.8759310 +1 -179.8004058 +1 2 1 6
H 1.10658285 +1 111.1661024 +1 62.4658000 +1 2 1 6
H 1.10564130 +1 109.8351716 +1 178.8192243 +1 3 2 1
H 1.10590031 +1 110.0690644 +1 -64.8876135 +1 3 2 1
H 1.10561804 +1 110.0617574 +1 -178.7598407 +1 4 3 2
H 1.10610863 +1 109.9744892 +1 64.8493789 +1 4 3 2
H 1.10511807 +1 110.2739553 +1 179.1865500 +1 5 4 3
H 1.10616492 +1 110.0091004 +1 -64.2609014 +1 5 4 3
H 1.10743431 +1 111.0904185 +1 -179.6529738 +1 6 1 2
H 1.10667844 +1 111.1297963 +1 -61.8021816 +1 6 1 2
H 1.33780226 +1 100.4146452 +1 62.5777892 +1 7 1 2