Accuracy

n-hexane    199 n-Hexane

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    #  Species Formula
   189 2,3-Dimethyl-1-buteneC6H12
   190 2,3-Dimethyl-2-buteneC6H12
   191 (Z)-3-Methyl-2-penteneC6H12
   192 4-Methyl-1-penteneC6H12
   193 Cyclohexane (Geo)C6H12
   194 CyclohexaneC6H12
   195 2,2-Dimethyl butaneC6H14
   196 2,3-Dimethyl butaneC6H14
   197 2-Methyl pentaneC6H14
   198 3-Methyl pentaneC6H14
   199 n-Hexane C6H14
   200 Phenyl lithiumH5LiC6
   201 TriethylboraneH15BC6
   202 Benzyl, cationC7H7
   203 Tropylium, cationC7H7
   204 CycloheptatrieneC7H8
   205 NorbornadieneC7H8
   206 TolueneC7H8
   207 1,2-Dimethyl cyclopenteneC7H12
   208 1-Ethyl cyclopenteneC7H12
   209 1-Methyl cyclohexeneC7H12


ΔHf: -39.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
n-Hexane
 H=-39.92,0.18 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52864870 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53511802 +1  110.8906085 +1    0.0000000 +0     2     1     0
  C     1.53365495 +1  110.7550871 +1  179.9832728 +1     3     2     1
  C     1.53465587 +1  110.7689816 +1 -179.9130945 +1     4     3     2
  C     1.52870280 +1  110.8637973 +1 -179.9672207 +1     5     4     3
  H     1.09555505 +1  111.2230449 +1 -179.9037147 +1     6     5     4
  H     1.09559659 +1  111.4283929 +1   60.1547916 +1     6     5     4
  H     1.09560984 +1  111.4372934 +1  -59.9533414 +1     6     5     4
  H     1.10627845 +1  109.9347666 +1   58.1552983 +1     5     4     3
  H     1.10628363 +1  109.9278384 +1  -58.0982166 +1     5     4     3
  H     1.10579332 +1  110.0436433 +1   58.2556444 +1     4     3     2
  H     1.10581346 +1  110.0530892 +1  -58.0693505 +1     4     3     2
  H     1.10572967 +1  109.9215649 +1   58.1255135 +1     3     2     1
  H     1.10578421 +1  109.9105612 +1  -58.0537925 +1     3     2     1
  H     1.10622738 +1  109.9356456 +1   58.1568709 +1     2     3     4
  H     1.10628434 +1  109.9246043 +1  -58.0826864 +1     2     3     4
  H     1.09553767 +1  111.2136374 +1 -179.9066710 +1     1     2     3
  H     1.09559392 +1  111.4348896 +1   60.1576889 +1     1     2     3
  H     1.09561082 +1  111.4446865 +1  -59.9637111 +1     1     2     3