Accuracy

m-hydroxybiphenyl    905 m-Hydroxybiphenyl

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    #  Species Formula
   895 Dipentyl etherC10H22O
   896 2,4,5-Trimethyl-acetophenoneC11H14O
   897 2,4,6-Trimethyl-acetophenoneC11H14O
   898 2-tert-Butyl-p-cresolC11H16O
   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-Hydroxybiphenyl C12H10O
   906 o-HydroxybiphenylC12H10O
   907 p-HydroxybiphenylC12H10O
   908 Isobutyl phenyl ketoneC12H16O
   909 2,6-DiisopropylphenolC12H18O
   910 BenzophenoneC13H10O
   911 AnthoneC14H10O
   912 1,1'-DiadamantylketoneC21H30O
   913 Nitric oxide, cationNO
   914 Nitric oxideNO
   915 Nitrogen oxide (Geo)NO


ΔHf: 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