PM7 Accuracy

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     1.53727586  0  109.4712210  0    0.0000000  0     2     1     0
  H     1.09500000  1  111.1000000  1  180.0000000  0     3     2     1
  C     1.53727586  0  109.4712210  0   60.0000000  0     2     3     4
  C     1.53727586  0  109.4712210  0  -60.0000000  0     2     3     4
  H     1.09458642  0  111.3090052  0   60.0000000  0     3     2     1
  H     1.09458642  0  111.3090052  0  -60.0000000  0     3     2     1
  H     1.09458642  0  111.3090052  0  180.0000000  0     1     2     3
  H     1.09458642  0  111.3090052  0   60.0000000  0     1     2     3
  H     1.09458642  0  111.3090052  0  -60.0000000  0     1     2     3
  H     1.09458642  0  111.3090052  0  180.0000000  0     5     2     6
  H     1.09458642  0  111.3090052  0   60.0000000  0     5     2     6
  H     1.09458642  0  111.3090052  0  -60.0000000  0     5     2     6
  H     1.09458642  0  111.3090052  0  180.0000000  0     6     2     5
  H     1.09458642  0  111.3090052  0   60.0000000  0     6     2     5
  H     1.09458642  0  111.3090052  0  -60.0000000  0     6     2     5
 
   2  1    3    5    6
   4  1    7    8    9   10   11   12   13   14   15   16
   4  1   17
   4  2    7    8    9   10   11   12   13   14   15   16
   4  2   17