Accuracy
m-nitrophenol
1343 m-Nitrophenol
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Geometry predicted using PM7
ΔHf: -25.2 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
m-Nitrophenol
H=-25.22 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39736379 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39311665 +1 118.7715594 +1 0.0000000 +0 2 1 0
C 1.39287160 +1 120.6310674 +1 0.0704125 +1 3 2 1
C 1.39790752 +1 119.0720091 +1 -0.0677756 +1 4 3 2
C 1.39110366 +1 122.0724785 +1 -0.0504284 +1 5 4 3
O 1.35513082 +1 122.9336043 +1 -179.9612531 +1 1 2 3
N 1.46153069 +1 119.0063008 +1 -179.8327383 +1 5 4 6
O 1.22011076 +1 118.0117311 +1 -8.5409533 +1 8 5 4
O 1.21916027 +1 118.1963427 +1 -179.8719123 +1 8 5 9
H 1.08630800 +1 120.7580683 +1 -179.9973943 +1 2 1 3
H 1.09139830 +1 119.7061954 +1 179.9498936 +1 3 2 4
H 1.09322347 +1 120.6415137 +1 179.8388486 +1 4 3 5
H 0.98943367 +1 112.4625840 +1 -0.1626959 +1 7 1 2
H 1.09392155 +1 122.2230063 +1 -179.6921389 +1 6 5 4