Accuracy

2-tert-butyl-p-cresol    898 2-tert-Butyl-p-cresol

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


ΔHf: -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