PM7 Accuracy

benzophenone    913 Benzophenone

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    #  Species Formula
   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-HydroxybiphenylC12H10O
   911 Isobutyl phenyl ketoneC12H16O
   912 2,6-DiisopropylphenolC12H18O
   913 Benzophenone C13H10O
   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
   921 Hydrogen isocyanate (Geo)HCNO
   922 Hydrogen isocyanateHCNO
   923 FormamideCH3NO


DHf: 11.9 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
Benzophenone
 H=11.93 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39332745  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39403737  1  119.9256588  1    0.0000000  0     2     1     0
  C     1.39494123  1  120.2143852  1   -0.1026233  1     3     2     1
  C     1.39261497  1  120.0072051  1   -0.4039027  1     4     3     2
  C     1.39533165  1  119.7486518  1    0.8783558  1     1     2     3
  C     1.48430099  1  118.5958460  1 -179.7442939  1     6     1     2
  O     1.20919852  1  120.8602891  1   36.9348725  1     7     6     1
  C     1.48407724  1  118.2609715  1 -142.8882799  1     7     6     1
  C     1.39559622  1  118.5964774  1 -145.4002170  1     9     7     6
  C     1.39525804  1  120.9929141  1   36.3667466  1     9     7     6
  C     1.39253927  1  119.7151436  1  178.7687016  1    11     9     7
  C     1.39489456  1  119.9915989  1    0.1183760  1    12    11     9
  C     1.39329608  1  119.7367089  1 -179.1940062  1    10     9     7
  H     1.09198843  1  120.5061173  1 -178.7605757  1     1     2     3
  H     1.08810626  1  119.9756956  1 -179.5680494  1     2     1     6
  H     1.08877282  1  119.9220947  1  179.7056527  1     3     2     1
  H     1.08804379  1  120.0300856  1  179.5529847  1     4     3     2
  H     1.09031958  1  120.1297280  1  179.8167761  1     5     4     3
  H     1.09206224  1  119.7392584  1    0.3794599  1    10     9     7
  H     1.09039473  1  120.1989468  1   -0.9063532  1    11     9     7
  H     1.08803150  1  119.9681311  1 -179.8025423  1    12    11     9
  H     1.08878663  1  119.8678419  1  179.8241068  1    13    12    11
  H     1.08815683  1  119.9766727  1 -179.7225360  1    14    10     9