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

o-xylene    233 o-Xylene

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   223 2-Methyl hexaneC7H16
   224 3,3-Dimethyl pentaneC7H16
   225 3-Ethyl pentaneC7H16
   226 3-Methyl hexaneC7H16
   227 n-HeptaneC7H16
   228 CubaneC8H8
   229 CyclooctatetraeneC8H8
   230 StyreneC8H8
   231 EthylbenzeneC8H10
   232 m-XyleneC8H10
   233 o-Xylene C8H10
   234 p-XyleneC8H10
   235 1,5-CyclooctadieneC8H12
   236 4-Vinyl cyclohexeneC8H12
   237 1-OctyneC8H14
   238 2,5-Dimethyl 2,4-hexadieneC8H14
   239 2-OctyneC8H14
   240 3,4-Dimethyl-(E,E)-2,4-hexadieneC8H14
   241 3,4-Dimethyl-(E,Z)-2,4-hexadieneC8H14
   242 3,4-Dimethyl-(Z,Z)-2,4-hexadieneC8H14
   243 3-OctyneC8H14


ΔHf: 4.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
o-Xylene
 H=4.56,0.26 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.79668297 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39309491 +1   59.8607419 +1    0.0000000 +0     1     2     0
  C     1.39238828 +1   59.9839487 +1  179.9755753 +1     1     2     3
  C     1.39560965 +1  120.5539547 +1    0.0084820 +1     3     1     2
  C     1.39309169 +1  119.9267067 +1    0.0099077 +1     4     1     2
  H     1.08731780 +1  179.8330737 +1  -22.5263370 +1     1     2     3
  H     1.08833368 +1  119.5323439 +1 -179.9839691 +1     3     1     2
  H     1.08777925 +1  120.0981522 +1  179.9881609 +1     4     1     2
  C     1.49180096 +1  119.6917105 +1  179.9828855 +1     5     3     1
  H     1.08805852 +1  119.5465404 +1  179.9852730 +1     6     4     1
  C     1.49175217 +1  179.2843018 +1  176.7091118 +1     2     1     3
  H     1.10040627 +1  111.2800694 +1   59.6747070 +1    12     2     5
  H     1.09821399 +1  112.6992727 +1  179.8792162 +1    12     2     5
  H     1.10039888 +1  111.2698835 +1  -59.9222345 +1    12     2     5
  H     1.10034481 +1  111.2754374 +1  120.2524986 +1    10     5     3
  H     1.10034293 +1  111.2592095 +1 -120.1496183 +1    10     5     3
  H     1.09816603 +1  112.6998332 +1    0.0449163 +1    10     5     3