PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cyclohexanone
783 Cyclohexanone
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ΔHf: -54.0 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Cyclohexanone
H=-54.04 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.50934306 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53095609 +1 111.0131622 +1 0.0000000 +0 2 1 0
C 1.53331745 +1 111.0029281 +1 51.6907202 +1 3 2 1
C 1.53315755 +1 110.3102502 +1 -58.9829943 +1 4 3 2
C 1.50951437 +1 117.2942246 +1 -47.8838642 +1 1 2 3
O 1.20517009 +1 121.3530678 +1 133.9450515 +1 1 2 3
H 1.10951116 +1 109.9979432 +1 -122.5939106 +1 2 1 3
H 1.10844058 +1 108.9681955 +1 122.0942827 +1 2 1 3
H 1.10640546 +1 109.8474226 +1 173.8232555 +1 3 2 1
H 1.10767558 +1 109.8768617 +1 -70.2190814 +1 3 2 1
H 1.10580423 +1 110.0630517 +1 179.3036973 +1 4 3 2
H 1.10588263 +1 110.1763247 +1 62.9268690 +1 4 3 2
H 1.10621835 +1 110.2971692 +1 -178.4310911 +1 5 4 3
H 1.10775453 +1 110.0221264 +1 -62.1769694 +1 5 4 3
H 1.10940221 +1 110.0492531 +1 170.9756344 +1 6 1 2
H 1.10824624 +1 109.0746107 +1 -73.6054268 +1 6 1 2