Accuracy

benzophenone    910 Benzophenone

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    #  Species Formula
   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-HydroxybiphenylC12H10O
   908 Isobutyl phenyl ketoneC12H16O
   909 2,6-DiisopropylphenolC12H18O
   910 Benzophenone C13H10O
   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
   918 Hydrogen isocyanate (Geo)HCNO
   919 Hydrogen isocyanateHCNO
   920 FormamideCH3NO


ΔHf: 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