PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
o-cresol
789 o-Cresol
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ΔHf: -30.7 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-Cresol
H=-30.67 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39783261 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39047819 +1 120.7266488 +1 0.0000000 +0 2 1 0
C 1.40638214 +1 117.6646572 +1 0.0294632 +1 3 2 1
C 1.39244557 +1 122.5560020 +1 0.0066406 +1 4 3 2
C 1.39110291 +1 120.4169904 +1 -0.0185511 +1 1 2 3
C 1.48609908 +1 122.5135093 +1 -179.9748071 +1 3 2 4
O 1.36152945 +1 115.1681283 +1 -179.9983474 +1 4 3 5
H 1.08702379 +1 119.5855191 +1 179.9958542 +1 1 2 6
H 1.08922108 +1 119.5147254 +1 179.9988409 +1 2 1 3
H 1.08397605 +1 121.0434258 +1 179.9861120 +1 5 4 3
H 1.08880526 +1 120.1100323 +1 179.9937857 +1 6 1 2
H 1.10234294 +1 110.9822405 +1 120.5986274 +1 7 3 2
H 1.10239420 +1 110.9949806 +1 117.8723201 +1 7 3 13
H 1.09651986 +1 113.0138556 +1 121.0744306 +1 7 3 14
H 0.98707502 +1 111.8347331 +1 -179.9789834 +1 8 4 3