PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

1,1'-diadamantylketone    914 1,1'-Diadamantylketone

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    #  Species Formula
   904 Dipentyl ketoneC11H22O
   905 Decyl methyl etherC11H24O
   906 DibenzofuranC12H8O
   907 m-HydroxybiphenylC12H10O
   908 o-HydroxybiphenylC12H10O
   909 p-HydroxybiphenylC12H10O
   910 Isobutyl phenyl ketoneC12H16O
   911 2,6-DiisopropylphenolC12H18O
   912 BenzophenoneC13H10O
   913 AnthoneC14H10O
   914 1,1'-Diadamantylketone C21H30O
   915 Nitric oxide, cationNO
   916 Nitric oxideNO
   917 Nitrogen oxide (Geo)NO
   918 Lithium oxynitride (Geo)LiNO
   919 NCOCNO
   920 Hydrogen isocyanate (Geo)HCNO
   921 Hydrogen isocyanateHCNO
   922 FormamideCH3NO
   923 Formamide (Geo)CH3NO
   924 AcetaldoximeC2H5NO


ΔHf: -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