Accuracy

p-hydroxybiphenyl    907 p-Hydroxybiphenyl

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    #  Species Formula
   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-HydroxybiphenylC12H10O
   906 o-HydroxybiphenylC12H10O
   907 p-Hydroxybiphenyl C12H10O
   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
   916 Lithium oxynitride (Geo)LiNO
   917 NCOCNO


ΔHf: 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