PM7 Accuracy

1,5 pentandiol   1094 1,5 Pentandiol

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    #  Species Formula
  1084 1,3 DioxanC4H8O2
  1085 1,4-DioxaneC4H8O2
  1086 Ethyl acetateC4H8O2
  1087 1,2-DimethoxyethaneC4H10O2
  1088 1,4 ButandiolC4H10O2
  1089 Diethyl peroxideC4H10O2
  1090 Dimethyl acetalC4H10O2
  1091 AcetylacetoneC5H8O2
  1092 Ethyl propionateC5H10O2
  1093 Isopropyl acetateC5H10O2
  1094 1,5 Pentandiol C5H12O2
  1095 p-BenzoquinoneC6H4O2
  1096 p-Benzoquinone (Geo)C6H4O2
  1097 1,2-BenzenediolC6H6O2
  1098 HydroquinoneC6H6O2
  1099 ResorcinolC6H6O2
  1100 1,3-CyclohexanedioneC6H8O2
  1101 1,4-CyclohexanedioneC6H8O2
  1102 2,4-HexanedioneC6H10O2
  1103 2-OxepanoneC6H10O2
  1104 3-Methyl-2,4-pentandioneC6H10O2


DHf: -105.6 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
1,5 Pentandiol
 H=-105.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53163906  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53035733  1  110.4851813  1    0.0000000  0     2     1     0
  C     1.53076266  1  110.3634464  1  179.8848357  1     3     2     1
  C     1.53108698  1  110.4794270  1  179.9592872  1     4     3     2
  O     1.42124671  1  104.4392649  1 -179.9210675  1     1     2     3
  O     1.42130877  1  104.4767602  1  179.8036407  1     5     4     3
  H     1.10377934  1  112.1497866  1  117.8108875  1     1     2     6
  H     1.10356134  1  112.1744479  1  124.3444115  1     1     2     8
  H     1.10773366  1  109.5212929  1  122.6730246  1     2     1     3
  H     1.10784284  1  109.4968341  1  114.7394842  1     2     1    10
  H     1.10692542  1  110.0523293  1  121.7380759  1     3     2     4
  H     1.10700630  1  110.0599663  1  116.5724217  1     3     2    12
  H     1.10769458  1  110.9637546  1  121.8104784  1     4     3     5
  H     1.10778509  1  110.9445444  1  116.4514046  1     4     3    14
  H     1.10384287  1  112.1327822  1  117.8088001  1     5     4     7
  H     1.10365830  1  112.1766976  1  124.3327408  1     5     4    16
  H     0.97465923  1  110.4975303  1  179.9029116  1     6     1     2
  H     0.97468091  1  110.4937248  1  179.8924292  1     7     5     4