PM7 Accuracy

2-tert-butyl-p-cresol    901 2-tert-Butyl-p-cresol

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    #  Species Formula
   891 CamphorC10H16O
   892 Octahydro-3a-methyl-cis-2H-inden-2-oneC10H16O
   893 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O
   894 Beta-caran-3-olC10H18O
   895 CyclodecanoneC10H18O
   896 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   897 DecanolC10H22O
   898 Dipentyl etherC10H22O
   899 2,4,5-Trimethyl-acetophenoneC11H14O
   900 2,4,6-Trimethyl-acetophenoneC11H14O
   901 2-tert-Butyl-p-cresol C11H16O
   902 3-Methyl-2-phenylbutane-2-olC11H16O
   903 CycloundecanoneC11H20O
   904 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   905 Dipentyl ketoneC11H22O
   906 Decyl methyl etherC11H24O
   907 DibenzofuranC12H8O
   908 m-HydroxybiphenylC12H10O
   909 o-HydroxybiphenylC12H10O
   910 p-HydroxybiphenylC12H10O
   911 Isobutyl phenyl ketoneC12H16O


DHf: -49.5 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
2-tert-Butyl-p-cresol
 H=-49.47 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40321036  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39693720  1  116.5276061  1    0.0000000  0     2     1     0
  C     1.39499273  1  121.8661276  1    0.1478944  1     3     2     1
  C     1.39768300  1  120.0109161  1   -0.0048538  1     4     3     2
  C     1.38626127  1  119.8339618  1   -0.1183587  1     5     4     3
  O     1.36011376  1  124.6034232  1 -179.8833276  1     1     2     3
  C     1.49205093  1  120.4217588  1 -179.9382644  1     4     3     5
  C     1.51318223  1  121.8361534  1 -179.9975329  1     2     1     3
  C     1.54128476  1  109.5690091  1   60.6033715  1     9     2     1
  C     1.54168654  1  112.6791759  1  119.1739656  1     9     2    10
  C     1.54136566  1  109.3931110  1  119.0896988  1     9     2    11
  H     1.08952306  1  120.0282683  1  179.9667733  1     3     2     4
  H     1.08814663  1  120.0824919  1 -179.9041355  1     5     4     6
  H     1.08777268  1  121.6620764  1 -179.8891817  1     6     5     4
  H     0.99185570  1  112.9051036  1   -2.3064773  1     7     1     2
  H     1.09987153  1  111.1665370  1  118.1925606  1     8     4     3
  H     1.09969558  1  111.2984143  1  119.5647406  1     8     4    17
  H     1.09748021  1  112.8156155  1  120.2444458  1     8     4    18
  H     1.09462885  1  113.2398970  1  -61.6060349  1    10     9     2
  H     1.09755649  1  110.5383229  1  119.6389291  1    10     9    20
  H     1.09529279  1  111.1789039  1  119.4915071  1    10     9    21
  H     1.09535654  1  111.5554676  1  -61.0096213  1    11     9     2
  H     1.09536535  1  111.6033145  1  121.3084402  1    11     9    23
  H     1.09587245  1  110.8850224  1  119.3283411  1    11     9    24
  H     1.09755280  1  110.5226145  1  -60.1092752  1    12     9     2
  H     1.09421969  1  113.2242364  1  119.4979593  1    12     9    26
  H     1.09511713  1  111.1940521  1  121.0668670  1    12     9    27