PM7 Accuracy

m-hydroxybiphenyl    908 m-Hydroxybiphenyl

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    #  Species Formula
   898 Dipentyl etherC10H22O
   899 2,4,5-Trimethyl-acetophenoneC11H14O
   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-Hydroxybiphenyl C12H10O
   909 o-HydroxybiphenylC12H10O
   910 p-HydroxybiphenylC12H10O
   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


DHf: 5.1 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
m-Hydroxybiphenyl
 H=5.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39402739  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39270227  1  120.0898947  1    0.0000000  0     2     1     0
  C     1.39718345  1  119.8909496  1   -0.2334261  1     3     2     1
  C     1.39717551  1  119.9998545  1    0.1727373  1     4     3     2
  C     1.39262259  1  119.8969342  1    0.0869238  1     5     4     3
  C     1.46931876  1  120.0420617  1  179.9492724  1     4     3     5
  C     1.39660687  1  119.9847937  1  122.8579455  1     7     4     3
  C     1.39607703  1  120.2056443  1 -179.9593494  1     8     7     4
  C     1.38925242  1  120.6650991  1   -0.2299089  1     9     8     7
  C     1.39946622  1  118.0813756  1    0.1065878  1    10     9     8
  C     1.39438761  1  122.5686662  1    0.1110263  1    11    10     9
  O     1.35868771  1  115.1730499  1  179.9723482  1    11    10    12
  H     1.08782476  1  119.9884905  1 -179.9052435  1     1     2     3
  H     1.08819367  1  119.9982733  1 -179.9810844  1     2     1     3
  H     1.08873311  1  120.2282833  1 -179.5265746  1     3     2     4
  H     1.08885412  1  119.8642017  1  179.6515008  1     5     4     6
  H     1.08825804  1  119.8921448  1  179.7911729  1     6     5     4
  H     1.08719766  1  119.8155817  1  179.5307521  1     8     7     9
  H     1.09011281  1  119.5855173  1  179.9879051  1     9     8    10
  H     1.08418171  1  121.3357359  1 -179.7061767  1    12    11    10
  H     0.98734637  1  112.2470489  1  179.6454599  1    13    11    10
  H     1.08596558  1  121.9652510  1 -179.9974504  1    10     9    11