Accuracy

tropylium, cation    131 Tropylium, cation

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

    

    #  Species Formula
   121 4-Methyl-1-penteneC6H12
   122 2,3-Dimethyl-2-buteneC6H12
   123 Cyclohexane (Geo)C6H12
   124 CyclohexaneC6H12
   125 2-Methyl pentaneC6H14
   126 2,2-Dimethyl butaneC6H14
   127 3-Methyl pentaneC6H14
   128 2,3-Dimethyl butaneC6H14
   129 n-HexaneC6H14
   130 Benzyl, cationC7H7
   131 Tropylium, cation C7H7
   132 CycloheptatrieneC7H8
   133 NorbornadieneC7H8
   134 TolueneC7H8
   135 1-Ethyl cyclopenteneC7H12
   136 1-Methyl cyclohexeneC7H12
   137 1,2-Dimethyl cyclopenteneC7H12
   138 NorbornaneC7H12
   139 1,1-Dimethyl cyclopentaneC7H14
   140 1,2-cis-Dimethyl cyclopentaneC7H14
   141 1-HepteneC7H14


ΔHf: 209.0 kcal/mol,     REF: G. Vincow, H. J. Dauben, F. R. Hunter, W. V. Volland, J. Am. Chem. Soc., 91, 2823 (1969).
  
 CHARGE=1
Tropylium, cation
 H=209 HR=VDHV1969
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.50788384 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39115240 +1  102.8508088 +1    0.0000000 +0     2     1     0
  C     1.39131356 +1   25.6670799 +1 -179.9970087 +1     1     2     3
  C     1.39085222 +1  102.8425455 +1    0.0084818 +1     1     2     3
  C     1.39117572 +1  128.5595225 +1   -0.0012179 +1     5     1     2
  C     1.39119744 +1  128.5727037 +1   -0.0067748 +1     3     2     1
  H     1.11393874 +1  115.6837565 +1  179.9995493 +1     7     3     2
  H     1.11363298 +1  141.3942471 +1  179.9990627 +1     2     1     3
  H     1.11394603 +1  115.6359427 +1  179.9985388 +1     4     1     2
  H     1.11386550 +1  115.6878921 +1  179.9924971 +1     6     5     1
  H     1.11356229 +1  141.3774004 +1 -179.9941985 +1     1     2     3
  H     1.11390131 +1  115.7194248 +1  179.9984211 +1     5     1     2
  H     1.11387184 +1  115.7250841 +1  179.9952964 +1     3     2     1