PM7 Accuracy

n-pentane    166 n-Pentane

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    #  Species Formula
   156 Spiropentane (Geo)C5H8
   157 SpiropentaneC5H8
   158 Cyclopentyl, cationC5H9
   159 2-Methyl-2-buteneC5H10
   160 cis-2-PenteneC5H10
   161 cis-DimethylcyclopropaneC5H10
   162 CyclopentaneC5H10
   163 trans-2-PenteneC5H10
   164 Neopentyl, anionC5H11
   165 IsopentaneC5H12
   166 n-Pentane C5H12
   167 Neopentane (Geo)C5H12
   168 NeopentaneC5H12
   169 Lithium cyclopentadienide (Geo)H5LiC5
   170 Cyclopentadienylberyllium hydrideH6BeC5
   171 C6H5 radicalC6H5
   172 BenzeneC6H6
   173 Benzene (Geo)C6H6
   174 FulveneC6H6
   175 Fulvene (Geo)C6H6
   176 (E)-1,3,5-HexatrieneC6H8


DHf: -35.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 10.3 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
n-Pentane
 H=-35.10,0.15 HR=C&P1970 I=10.3 IR=LLNBS82
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52839249  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53442316  1  110.9638828  1    0.0000000  0     2     1     0
  C     1.53388344  1  110.8907893  1  179.8870907  1     3     2     1
  C     1.52840031  1  110.9469141  1  179.9509795  1     4     3     2
  H     1.09571480  1  111.1990572  1  179.8987224  1     5     4     3
  H     1.09568749  1  111.4501295  1   59.9416396  1     5     4     3
  H     1.09567824  1  111.4404187  1  -60.1547744  1     5     4     3
  H     1.10650343  1  109.9085400  1   58.0389330  1     4     3     2
  H     1.10650718  1  109.9153701  1  -58.1162515  1     4     3     2
  H     1.10591826  1  109.9623481  1   57.9637860  1     3     2     1
  H     1.10595549  1  109.9477734  1  -58.1080052  1     3     2     1
  H     1.10648904  1  109.9229772  1   58.0073553  1     2     3     4
  H     1.10651879  1  109.9124772  1  -58.1460587  1     2     3     4
  H     1.09570272  1  111.1956864  1 -179.9197716  1     1     2     3
  H     1.09567007  1  111.4452166  1   60.1354857  1     1     2     3
  H     1.09568335  1  111.4552150  1  -59.9674714  1     1     2     3