Accuracy

1-methylnorcamphor    822 1-Methylnorcamphor

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
   812 2,5-Dimethyl phenolC8H10O
   813 2,6-Dimethyl phenolC8H10O
   814 2-Ethyl phenolC8H10O
   815 3,4-Dimethyl phenolC8H10O
   816 3,5-Dimethyl phenolC8H10O
   817 3-Ethyl phenolC8H10O
   818 4-Ethyl phenolC8H10O
   819 Benzyl alcoholC8H10O
   820 EthoxybenzeneC8H10O
   821 PhenetoleC8H10O
   822 1-Methylnorcamphor C8H12O
   823 Bicyclo[2.2.2]octanoneC8H12O
   824 Bicyclo[3.2.1]octan-2-oneC8H12O
   825 Bicyclo[3.2.1]octan-3-oneC8H12O
   826 Bicyclo[3.2.1]octan-8-oneC8H12O
   827 cis-Bicyclo[3.3.0]-octan-2-oneC8H12O
   828 trans-Bicyclo[3.3.0]-octan-2-oneC8H12O
   829 3-Oxabicyclo[3,2,2]nonaneC8H14O
   830 6-Methyl-5-hepten-2-oneC8H14O
   831 8-Oxatricyclo[3,2,1,0(1,5)]octaneC8H14O
   832 Bicyclo(2.2.2)octan-2-olC8H14O


ΔHf: -48.9 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-Methylnorcamphor
 H=-48.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53962778 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.55629171 +1  104.2537837 +1    0.0000000 +0     2     1     0
  C     1.55398893 +1  103.7360866 +1   70.3287878 +1     3     2     1
  C     1.55272887 +1  103.6591488 +1   -1.2992835 +1     4     3     2
  C     1.52368525 +1  106.7798221 +1  -72.6076488 +1     1     2     3
  O     1.19585422 +1  126.8933387 +1  179.5328089 +1     1     2     6
  C     1.50089371 +1  115.0716259 +1 -128.0789469 +1     2     1     3
  H     1.09913880 +1  110.7532498 +1  119.8859186 +1     3     2     4
  H     1.09884252 +1  111.8897651 +1  118.7884158 +1     3     2     9
  H     1.09931891 +1  111.3857693 +1  119.4877835 +1     4     3     5
  H     1.09797552 +1  112.1060042 +1  119.4429531 +1     4     3    11
  H     1.09208873 +1  114.4440833 +1  161.2468664 +1     5     4     3
  H     1.09972273 +1  111.8437592 +1  123.9793608 +1     6     1     2
  H     1.10117856 +1  111.1994935 +1  118.6135388 +1     6     1    14
  C     1.55693877 +1  101.3950715 +1 -125.5188108 +1     5     4    13
  H     1.09430909 +1  114.0149454 +1 -173.7572477 +1    16     5     4
  H     1.09470403 +1  113.5733562 +1 -123.4995185 +1    16     5    17
  H     1.09863972 +1  111.6187042 +1  -60.3615018 +1     8     2     1
  H     1.10052234 +1  111.2028078 +1  118.8037637 +1     8     2    19
  H     1.09644506 +1  111.9845583 +1  120.5828949 +1     8     2    20