Accuracy
o-nitrophenol
1344 o-Nitrophenol
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Geometry predicted using PM7
ΔHf: -30.8 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
o-Nitrophenol
H=-30.78 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.41021527 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.37988745 +1 119.1647246 +1 0.0000000 +0 2 1 0
C 1.40778061 +1 120.8285013 +1 0.0159662 +1 3 2 1
C 1.37986095 +1 120.3256216 +1 -0.0021073 +1 4 3 2
C 1.41007101 +1 120.0640082 +1 0.0168945 +1 5 4 3
O 1.33248727 +1 115.6263496 +1 -179.9440549 +1 1 2 3
N 1.43288597 +1 119.1811137 +1 179.9950657 +1 6 5 4
O 1.23673062 +1 118.4185019 +1 179.9577034 +1 8 6 5
O 1.21592846 +1 119.4088104 +1 179.9887946 +1 8 6 9
H 1.08933302 +1 118.7757033 +1 179.9742229 +1 2 1 3
H 1.09254743 +1 120.0215218 +1 179.9985181 +1 3 2 4
H 1.08836874 +1 119.3790088 +1 -179.9930985 +1 4 3 5
H 1.09627702 +1 120.7835759 +1 -179.9952269 +1 5 4 6
H 1.02131290 +1 111.4829110 +1 -179.9561516 +1 7 1 2