PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
p-cresol
790 p-Cresol
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ΔHf: -29.9 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
p-Cresol
H=-29.94 HR=NIST
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.36059043 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39389099 +1 122.5653575 +1 0.0000000 +0 2 1 0
C 1.39423312 +1 118.2521442 +1 -179.9833173 +1 3 2 1
C 1.39509425 +1 120.6200697 +1 -0.0009395 +1 4 3 2
C 1.40138018 +1 119.8600855 +1 -0.0161784 +1 5 4 3
C 1.38762673 +1 120.6532872 +1 0.0147620 +1 6 5 4
C 1.49122689 +1 120.6895451 +1 179.9833420 +1 5 4 6
H 0.98647236 +1 112.0694630 +1 -0.0070330 +1 1 2 3
H 1.08381459 +1 121.1640799 +1 179.9942111 +1 3 2 4
H 1.08916061 +1 119.3616612 +1 179.9957914 +1 4 3 5
H 1.08937471 +1 119.6198222 +1 179.9975064 +1 6 5 7
H 1.08670989 +1 121.8630584 +1 -179.9961143 +1 7 6 5
H 1.10001893 +1 111.3143869 +1 120.5055908 +1 8 5 4
H 1.10003128 +1 111.2881107 +1 119.6290803 +1 8 5 14
H 1.09784983 +1 112.7687765 +1 120.1804240 +1 8 5 15