PM7 Accuracy

phenyl formate   1126 Phenyl formate

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    #  Species Formula
  1116 t-Butyl acetateC6H12O2
  1117 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1118 1,1-Diethoxy ethaneC6H14O2
  1119 1,1-Dimethoxy-butaneC6H14O2
  1120 1,2-Diethoxy ethaneC6H14O2
  1121 1,6-HexanediolC6H14O2
  1122 2,3-Dimethyl-2,3-butanediolC6H14O2
  1123 DihydoxyphenylboraneH7BC6O2
  1124 3-(2-Furanyl)-2-propenalC7H6O2
  1125 Benzoic acidC7H6O2
  1126 Phenyl formate C7H6O2
  1127 TropoloneC7H6O2
  1128 3-Methyl-1,2-benzenediolC7H8O2
  1129 4-Methyl 1,2-BenzenediolC7H8O2
  1130 Ethyl 2-methylene-3-butenoateC7H10O2
  1131 Ethyl 2-pentynoateC7H10O2
  1132 Ethyl 3-pentynoateC7H10O2
  1133 Ethyl 4-pentynoateC7H10O2
  1134 3,5-HeptanedioneC7H12O2
  1135 3-Ethyl-2,4-pentanedioneC7H12O2
  1136 5-Methyl-2,4-hexanedioneC7H12O2


DHf: -51.5 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
Phenyl formate
 H=-51.55 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39456450  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39354739  1  120.4300803  1    0.0000000  0     2     1     0
  C     1.39648404  1  120.3436613  1   -0.2286862  1     3     2     1
  C     1.39072347  1  120.3214660  1    0.5456951  1     4     3     2
  C     1.39309617  1  118.0830911  1   -0.2982624  1     1     2     3
  O     1.37326345  1  122.3684978  1  176.2658031  1     6     1     2
  C     1.38194707  1  118.3884325  1   45.9994959  1     7     6     1
  O     1.19697435  1  115.6779259  1 -177.7534327  1     8     7     6
  H     1.08510130  1  120.4374085  1  178.3440373  1     1     2     6
  H     1.08958290  1  119.6502977  1 -179.6107130  1     2     1     3
  H     1.08787992  1  119.9010558  1 -179.7180716  1     3     2     4
  H     1.08989815  1  119.8596096  1  179.9162591  1     4     3     5
  H     1.08827582  1  121.6827627  1 -179.8114053  1     5     4     3
  H     1.08773453  1  116.3371290  1 -178.9142019  1     8     7     9