PM7 Accuracy

1,1'-diadamantylketone    915 1,1'-Diadamantylketone

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    #  Species Formula
   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 BenzophenoneC13H10O
   914 AnthoneC14H10O
   915 1,1'-Diadamantylketone C21H30O
   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
   924 Formamide (Geo)CH3NO
   925 AcetaldoximeC2H5NO


DHf: -87.9 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
1,1'-Diadamantylketone
 H=-87.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53915986  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54008307  1  109.5629109  1    0.0000000  0     2     1     0
  C     1.54005817  1  109.5992829  1   59.7230058  1     3     2     1
  C     1.53919576  1  109.4954248  1  -59.7524486  1     4     3     2
  C     1.53848005  1  109.2229901  1  -59.8843094  1     1     2     3
  C     1.53816705  1  109.3989624  1   60.1446687  1     2     1     6
  C     1.53839009  1  109.5243938  1   60.2517207  1     4     3     2
  C     1.54423493  1  109.5334397  1  -59.8347647  1     6     1     2
  C     1.54873561  1  109.9234288  1  -60.3594627  1     7     2     1
  C     1.53249639  1  105.8321117  1 -172.4893974  1    10     7     2
  C     7.29599088  1   87.6999373  1 -119.3712899  1     1     2     3
  C     1.53868118  1   62.8946728  1  112.1668990  1    12     1     2
  C     1.53862033  1  109.5783867  1 -136.9416956  1    13    12     1
  C     1.53914503  1  109.2057748  1   60.5355225  1    14    13    12
  C     1.54006184  1  109.5149244  1  -59.9963364  1    15    14    13
  C     1.53927990  1  109.2134193  1  -60.5149565  1    12    13    14
  C     1.54413989  1  109.5503972  1   59.7717670  1    13    12    17
  C     1.53821672  1  109.4443349  1   60.0208249  1    15    14    13
  C     1.53833178  1  109.4326356  1  -60.0807559  1    17    12    13
  C     1.53238288  1  129.6908751  1 -122.9892489  1    11    10     7
  O     1.21457095  1  115.1512354  1   57.0965475  1    11    10     7
  H     1.10352939  1  110.3320631  1  178.6129207  1     1     2     3
  H     1.10327584  1  110.3137325  1   61.5628363  1     1     2     3
  H     1.11263223  1  109.5621117  1 -179.9639560  1     2     1     6
  H     1.10312690  1  110.2793289  1  -61.8704193  1     3     2     1
  H     1.10437381  1  110.1499584  1 -178.9238961  1     3     2     1
  H     1.11267320  1  109.4497127  1 -179.8853711  1     4     3     2
  H     1.10331034  1  110.3079363  1  -61.3936770  1     5     4     3
  H     1.10349208  1  110.3539926  1 -178.4598620  1     5     4     3
  H     1.11250285  1  109.5254449  1 -179.4219381  1     6     1     2
  H     1.10304421  1  110.4181734  1   61.4950712  1     7     2     1
  H     1.10814469  1  109.8681858  1  178.5486973  1     7     2     1
  H     1.10310400  1  110.3948759  1  178.4788539  1     8     4     3
  H     1.10803544  1  109.8678491  1   61.3990855  1     8     4     3
  H     1.10497423  1  108.9880553  1  -61.3522926  1     9     6     1
  H     1.10509965  1  108.8613498  1 -178.4216183  1     9     6     1
  H     1.10344100  1  110.4036847  1  178.0020881  1    12    13    14
  H     1.10328875  1  110.3300687  1   60.9000205  1    12    13    14
  H     1.11254712  1  109.5155000  1  179.3510944  1    13    12    17
  H     1.10329807  1  110.3166515  1  -60.8517332  1    14    13    12
  H     1.10345346  1  110.4010108  1 -177.9546473  1    14    13    12
  H     1.11268788  1  109.5654604  1  179.9196790  1    15    14    13
  H     1.10311977  1  110.2865960  1  -61.8685181  1    16    15    14
  H     1.10437151  1  110.1541732  1 -178.9314092  1    16    15    14
  H     1.11267522  1  109.5547786  1 -179.9701596  1    17    12    13
  H     1.10502185  1  108.8915138  1   61.2962332  1    18    13    12
  H     1.10504770  1  108.9575704  1  178.3610674  1    18    13    12
  H     1.10809999  1  109.8669365  1  178.5234632  1    19    15    14
  H     1.10309293  1  110.3999314  1   61.4617005  1    19    15    14
  H     1.10304259  1  110.4088177  1  -61.4748311  1    20    17    12
  H     1.10807076  1  109.8700029  1 -178.5473360  1    20    17    12