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

benzyl alcohol    821 Benzyl alcohol

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   811 AcetophenoneC8H8O
   812 2,3-Dimethyl phenolC8H10O
   813 2,4-Dimethyl phenolC8H10O
   814 2,5-Dimethyl phenolC8H10O
   815 2,6-Dimethyl phenolC8H10O
   816 2-Ethyl phenolC8H10O
   817 3,4-Dimethyl phenolC8H10O
   818 3,5-Dimethyl phenolC8H10O
   819 3-Ethyl phenolC8H10O
   820 4-Ethyl phenolC8H10O
   821 Benzyl alcohol C8H10O
   822 EthoxybenzeneC8H10O
   823 PhenetoleC8H10O
   824 1-MethylnorcamphorC8H12O
   825 Bicyclo[2.2.2]octanoneC8H12O
   826 Bicyclo[3.2.1]octan-2-oneC8H12O
   827 Bicyclo[3.2.1]octan-3-oneC8H12O
   828 Bicyclo[3.2.1]octan-8-oneC8H12O
   829 cis-Bicyclo[3.3.0]-octan-2-oneC8H12O
   830 trans-Bicyclo[3.3.0]-octan-2-oneC8H12O
   831 3-Oxabicyclo[3,2,2]nonaneC8H14O


ΔHf: -22.6 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.
  
 PM7
Benzyl alcohol
 H=-22.6 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41121012 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53632970 +1  110.2754820 +1    0.0000000 +0     2     1     0
  C     1.49480460 +1  109.7757324 +1 -176.3723617 +1     3     2     1
  C     1.39709114 +1  119.9524713 +1   82.1007245 +1     4     3     2
  C     1.39253979 +1  120.0591560 +1 -179.4206577 +1     5     4     3
  C     1.39413320 +1  120.1401771 +1   -0.0219449 +1     6     5     4
  C     1.39364728 +1  119.8559141 +1    0.0612695 +1     7     6     5
  C     1.39325576 +1  120.1519842 +1   -0.0212058 +1     8     7     6
  H     0.97618537 +1  110.9749697 +1  -62.0734718 +1     1     2     3
  H     1.10368582 +1  109.5716112 +1  123.8535559 +1     2     1     3
  H     1.10663095 +1  102.8876716 +1  116.4453615 +1     2     1    11
  H     1.11101967 +1  109.2723015 +1  122.2128001 +1     3     2     4
  H     1.10748888 +1  110.1451921 +1  114.6147000 +1     3     2    13
  H     1.08817590 +1  119.9681725 +1 -179.9414594 +1     5     4     6
  H     1.08843325 +1  119.9031816 +1 -179.9306723 +1     6     5     7
  H     1.08745611 +1  120.0731094 +1 -179.9858421 +1     7     6     8
  H     1.08836190 +1  119.9621487 +1 -179.9630128 +1     8     7     9
  H     1.08749911 +1  119.8291632 +1  179.9978965 +1     9     8     7