PM7 Accuracy

p-hydroxybiphenyl    910 p-Hydroxybiphenyl

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    #  Species Formula
   900 2,4,6-Trimethyl-acetophenoneC11H14O
   901 2-tert-Butyl-p-cresolC11H16O
   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-Hydroxybiphenyl C12H10O
   911 Isobutyl phenyl ketoneC12H16O
   912 2,6-DiisopropylphenolC12H18O
   913 BenzophenoneC13H10O
   914 AnthoneC14H10O
   915 1,1'-DiadamantylketoneC21H30O
   916 Nitric oxide, cationNO
   917 Nitric oxideNO
   918 Nitrogen oxide (Geo)NO
   919 Lithium oxynitride (Geo)LiNO
   920 NCOCNO


DHf: 0.0 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
p-Hydroxybiphenyl
 H=0.0 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39396938  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39255691  1  120.1029397  1    0.0000000  0     2     1     0
  C     1.39748227  1  119.9287071  1    0.1508744  1     3     2     1
  C     1.39749299  1  119.9263475  1   -0.0118682  1     4     3     2
  C     1.39257839  1  119.9376223  1   -0.1509849  1     5     4     3
  C     1.46682941  1  120.0227802  1  179.9598199  1     4     3     5
  C     1.39647366  1  120.0012637  1 -119.4596270  1     7     4     3
  C     1.39253923  1  120.4002677  1  179.8331358  1     8     7     4
  C     1.39566132  1  118.2446181  1    0.2249882  1     9     8     7
  C     1.39982087  1  122.4665537  1   -0.1130653  1    10     9     8
  C     1.38762990  1  118.2533088  1   -0.1245121  1    11    10     9
  O     1.35878006  1  122.4407373  1 -179.9886252  1    10     9    11
  H     1.08748238  1  120.0052031  1  179.8779558  1     1     2     3
  H     1.08814584  1  119.9762607  1  179.9873636  1     2     1     3
  H     1.08843299  1  120.2404175  1  179.6419392  1     3     2     4
  H     1.08831205  1  119.8312666  1 -179.5696078  1     5     4     6
  H     1.08814388  1  119.8977548  1 -179.7624792  1     6     5     4
  H     1.09033378  1  119.7007389  1 -179.6996351  1     8     7     9
  H     1.08385787  1  120.6157241  1 -179.9796120  1     9     8    10
  H     1.09055496  1  120.0211676  1  179.9081865  1    12    11    10
  H     1.08679172  1  119.9240083  1  179.9782001  1    11    10    12
  H     0.98681286  1  112.2910405  1   -0.0140917  1    13    10     9