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

neoc5r    167 Neopentane (Geo)

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    #  Species Formula
   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-PentaneC5H12
   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
   177 (Z)-1,3,5-HexatrieneC6H8


REF: 6-31G(d) basis set using the B3LYP Density Functional
  
 SYMMETRY PM7
Neopentane
 GWT=0.25 <C-C> <C-H> <H-C-C> GR=B3LYP
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54000000 +0  109.4712210 +0    0.0000000 +0     2     1     0
  H     1.09500000 +1  111.1000000 +1  180.0000000 +0     3     2     1
  C     1.54000000 +0  109.4712210 +0   60.0000000 +0     2     3     4
  C     1.54000000 +0  109.4712210 +0  -60.0000000 +0     2     3     4
  H     1.09500000 +0  111.1000000 +0   60.0000000 +0     3     2     1
  H     1.09500000 +0  111.1000000 +0  -60.0000000 +0     3     2     1
  H     1.09500000 +0  111.1000000 +0  180.0000000 +0     1     2     3
  H     1.09500000 +0  111.1000000 +0   60.0000000 +0     1     2     3
  H     1.09500000 +0  111.1000000 +0  -60.0000000 +0     1     2     3
  H     1.09500000 +0  111.1000000 +0  180.0000000 +0     5     2     6
  H     1.09500000 +0  111.1000000 +0   60.0000000 +0     5     2     6
  H     1.09500000 +0  111.1000000 +0  -60.0000000 +0     5     2     6
  H     1.09500000 +0  111.1000000 +0  180.0000000 +0     6     2     5
  H     1.09500000 +0  111.1000000 +0   60.0000000 +0     6     2     5
  H     1.09500000 +0  111.1000000 +0  -60.0000000 +0     6     2     5