Accuracy

anthone    773 Anthone

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    #  Species Formula
   763 Dipentyl ketoneC11H22O
   764 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   765 Decyl methyl etherC11H24O
   766 DibenzofuranC12H8O
   767 m-HydroxybiphenylC12H10O
   768 o-HydroxybiphenylC12H10O
   769 p-HydroxybiphenylC12H10O
   770 Isobutyl phenyl ketoneC12H16O
   771 2,6-DiisopropylphenolC12H18O
   772 BenzophenoneC13H10O
   773 Anthone C14H10O
   774 1,1'-DiadamantylketoneC21H30O
   775 Nitric oxide, cationNO
   776 Nitric oxideNO
   777 Nitrogen oxide (Geo)NO
   778 NCOCNO
   779 Hydrogen isocyanateHCNO
   780 FormamideCH3NO
   781 Formamide (Geo)CH3NO
   782 AcetaldoximeC2H5NO
   783 AcetamideC2H5NO


ΔHf: 5.6 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.
  

Anthone
 H=5.59 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47695439 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39526530 +1  121.3088850 +1    0.0000000 +0     2     1     0
  C     1.49498591 +1  122.0481636 +1   -0.0438132 +1     3     2     1
  C     1.49509029 +1  115.6781281 +1    0.0563845 +1     4     3     2
  C     1.47699367 +1  117.6084029 +1    0.0026907 +1     1     2     3
  C     1.39886541 +1  118.4614974 +1 -179.9888213 +1     6     1     2
  C     1.39894323 +1  118.4130206 +1  179.9864664 +1     2     1     6
  C     1.39962328 +1  119.3825747 +1  179.9704255 +1     3     2     1
  C     1.39974249 +1  118.5286190 +1  179.9653035 +1     5     4     3
  C     1.38993411 +1  120.1249013 +1 -179.9760585 +1     8     2     1
  C     1.39098705 +1  120.1708792 +1    0.0013563 +1     9     3     2
  C     1.38985080 +1  120.1354526 +1 -179.9910880 +1     7     6     1
  C     1.39095729 +1  120.1797148 +1  179.9981019 +1    10     5     4
  O     1.21219526 +1  121.2062833 +1 -179.9887933 +1     1     2     3
  H     1.11846155 +1  108.9445254 +1 -122.9990096 +1     4     3     2
  H     1.11845072 +1  108.9612201 +1  123.1491585 +1     4     3     2
  H     1.09454691 +1  119.1662539 +1    0.0072264 +1     7     6     1
  H     1.09455092 +1  119.1747164 +1    0.0229532 +1     8     2     1
  H     1.08735460 +1  119.9968379 +1 -179.9985766 +1     9     3     2
  H     1.08736016 +1  119.9882706 +1   -0.0024977 +1    10     5     4
  H     1.08759653 +1  120.2003235 +1  179.9999752 +1    11     8     2
  H     1.08949346 +1  119.8559871 +1 -179.9998877 +1    12     9     3
  H     1.08757640 +1  120.2120777 +1  179.9988698 +1    13     7     6
  H     1.08948718 +1  119.8683278 +1 -179.9997046 +1    14    10     5