 $SIGMA-C-SP3-IN-CH4     1
  1
  6   0.00000   0.00000   0.00000    0

  1
  1
 19
   1  1  C     s  -0.14484
   2  1  C     s   0.41257
   3  1  C     x   0.00000
   4  1  C     y   0.00000
   5  1  C     z   0.55384
   6  1  C     s   0.26914
   7  1  C     x   0.00000
   8  1  C     y   0.00000
   9  1  C     z   0.16651
  10  1  C     s   0.02264
  11  1  C     x   0.00000
  12  1  C     y   0.00000
  13  1  C     z   0.02087
  14  1  C    xx  -0.04413
  15  1  C    yy  -0.04413
  16  1  C    zz   0.03498
  17  1  C    xy   0.00000
  18  1  C    xz   0.00000
  19  1  C    yz   0.00000

   0.00000   0.00000   1.00000

 $SIGMA-H-6-31PPG2STA    1
  1
  1   0.00000   0.00000  -1.00000    0

  1
  1
  6
   1  2  H     s   0.55394
   2  2  H     s   0.35306
   3  2  H     s   0.03835
   4  2  H     x   0.00000
   5  2  H     y   0.00000
   6  2  H     z  -0.00540

   0.00000   0.00000   1.00000

 $PI-C-IN-C2H4           1
  1
  6   0.00000   0.00000   0.58530    0

  1
  1
 19
   1  2  C     s   0.00000
   2  2  C     s   0.00000
   3  2  C     x   0.00000
   4  2  C     y   0.55426
   5  2  C     z   0.00000
   6  2  C     s   0.00000
   7  2  C     x   0.00000
   8  2  C     y   0.33260
   9  2  C     z   0.00000
  10  2  C     s   0.00000
  11  2  C     x   0.00000
  12  2  C     y   0.02201
  13  2  C     z   0.00000
  14  2  C    xx   0.00000
  15  2  C    yy   0.00000
  16  2  C    zz   0.00000
  17  2  C    xy   0.00000
  18  2  C    xz   0.00000
  19  2  C    yz  -0.03877

   0.00000   1.00000   0.00000

 $SIGMA-O-6-31PPG2STA    1
  1
  8   0.00000   0.00000  -0.63140    0

  1
  1
 19
   1  1  O     s  -0.08326
   2  1  O     s   0.25061
   3  1  O     x   0.00000
   4  1  O     y   0.00000
   5  1  O     z   0.70272
   6  1  O     s   0.10204
   7  1  O     x   0.00000
   8  1  O     y   0.00000
   9  1  O     z   0.24697
  10  1  O     s  -0.05605
  11  1  O     x   0.00000
  12  1  O     y   0.00000
  13  1  O     z   0.00982
  14  1  O    xx  -0.03319
  15  1  O    yy  -0.03141
  16  1  O    zz   0.04460
  17  1  O    xy   0.00000
  18  1  O    xz   0.00000
  19  1  O    yz   0.00000

   0.00000   0.00000   1.00000

 $PI-O-IN-CH2O           1
  1
  8   0.00000   0.00000  -0.63140    0

  1
  1
 19
   1  1  O     s   0.00000
   2  1  O     s   0.00000
   3  1  O     x   0.00000
   4  1  O     y   0.71579
   5  1  O     z   0.00000
   6  1  O     s   0.00000
   7  1  O     x   0.00000
   8  1  O     y   0.37761
   9  1  O     z   0.00000
  10  1  O     s   0.00000
  11  1  O     x   0.00000
  12  1  O     y  -0.00778
  13  1  O     z   0.00000
  14  1  O    xx   0.00000
  15  1  O    yy   0.00000
  16  1  O    zz   0.00000
  17  1  O    xy   0.00000
  18  1  O    xz   0.00000
  19  1  O    yz   0.03224

   0.00000   1.00000   0.00000

 $LP2-O-6-31PPG2STAR     1
  1
  8   0.00000   0.00000  -0.63140    0

  1
  1
 19
   1  1  O     s   0.00000
   2  1  O     s   0.00000
   3  1  O     x   0.64257
   4  1  O     y   0.00000
   5  1  O     z   0.00000
   6  1  O     s   0.00000
   7  1  O     x   0.44012
   8  1  O     y   0.00000
   9  1  O     z   0.00000
  10  1  O     s   0.00000
  11  1  O     x   0.03722
  12  1  O     y   0.00000
  13  1  O     z   0.00000
  14  1  O    xx   0.00000
  15  1  O    yy   0.00000
  16  1  O    zz   0.00000
  17  1  O    xy   0.00000
  18  1  O    xz   0.02958
  19  1  O    yz   0.00000

   1.00000   0.00000   0.00000

 $LP1-O-6-31PPG2STAR     1
  1
  8   0.00000   0.00000   0.63140    0

  1
  1
 19
   1  1  O     s  -0.12458
   2  1  O     s   0.49248
   3  1  O     x   0.00000
   4  1  O     y   0.00000
   5  1  O     z   0.23986
   6  1  O     s   0.55712
   7  1  O     x   0.00000
   8  1  O     y   0.00000
   9  1  O     z   0.13064
  10  1  O     s   0.02155
  11  1  O     x   0.00000
  12  1  O     y   0.00000
  13  1  O     z   0.00506
  14  1  O    xx   0.00721
  15  1  O    yy   0.00438
  16  1  O    zz  -0.00390
  17  1  O    xy   0.00000
  18  1  O    xz   0.00000
  19  1  O    yz   0.00000

   0.00000   0.00000   1.00000

 $SIGMA-S-6-31PPG2STA    1
  1
 16   0.00000   0.00000  -0.63830    0

  1
  1
 23
   1  1  S     s   0.01816
   2  1  S     s  -0.07648
   3  1  S     x   0.00000
   4  1  S     y   0.00000
   5  1  S     z  -0.27793
   6  1  S     s   0.17618
   7  1  S     x   0.00000
   8  1  S     y   0.00000
   9  1  S     z   0.72901
  10  1  S     s  -0.16061
  11  1  S     x   0.00000
  12  1  S     y   0.00000
  13  1  S     z   0.11311
  14  1  S     s  -0.08618
  15  1  S     x   0.00000
  16  1  S     y   0.00000
  17  1  S     z  -0.00713
  18  1  S    xx  -0.04220
  19  1  S    yy  -0.03513
  20  1  S    zz   0.08152
  21  1  S    xy   0.00000
  22  1  S    xz   0.00000
  23  1  S    yz   0.00000

   0.00000   0.00000   1.00000

 $PI-S-IN-CH2S           1
  1
 16   0.00000   0.00000  -0.63830    0

  1
  1
 23
   1  1  S     s   0.00000
   2  1  S     s   0.00000
   3  1  S     x   0.00000
   4  1  S     y  -0.27189
   5  1  S     z   0.00000
   6  1  S     s   0.00000
   7  1  S     x   0.00000
   8  1  S     y   0.73912
   9  1  S     z   0.00000
  10  1  S     s  -0.00199
  11  1  S     x   0.00000
  12  1  S     y   0.33323
  13  1  S     z   0.00000
  14  1  S     s   0.00000
  15  1  S     x   0.00000
  16  1  S     y  -0.01094
  17  1  S     z   0.00000
  18  1  S    xx   0.00000
  19  1  S    yy   0.00000
  20  1  S    zz   0.00000
  21  1  S    xy   0.00000
  22  1  S    xz   0.00000
  23  1  S    yz   0.03581

   0.00000   1.00000   0.00000

 $LP2-S-6-31PPG2STAR     1
  1
 16   0.00000   0.00000  -0.63830    0

  1
  1
 23
   1  1  S     s   0.00000
   2  1  S     s   0.00000
   3  1  S     x  -0.21989
   4  1  S     y   0.00000
   5  1  S     z   0.00000
   6  1  S     s   0.00000
   7  1  S     x   0.70011
   8  1  S     y   0.00000
   9  1  S     z   0.00000
  10  1  S     s   0.00000
  11  1  S     x   0.39573
  12  1  S     y   0.00000
  13  1  S     z   0.00000
  14  1  S     s   0.00000
  15  1  S     x   0.04634
  16  1  S     y   0.00000
  17  1  S     z   0.00000
  18  1  S    xx   0.00000
  19  1  S    yy   0.00000
  20  1  S    zz   0.00000
  21  1  S    xy   0.00000
  22  1  S    xz   0.01231
  23  1  S    yz   0.00000

   1.00000   0.00000   0.00000

 $LP1-S-6-31PPG2STAR     1
  1
 16   0.00000   0.00000   0.63830    0

  1
  1
 23
   1  1  S     s   0.05811
   2  1  S     s  -0.21096
   3  1  S     x   0.00000
   4  1  S     y   0.00000
   5  1  S     z   0.02376
   6  1  S     s   0.69844
   7  1  S     x   0.00000
   8  1  S     y   0.00000
   9  1  S     z   0.17420
  10  1  S     s   0.38613
  11  1  S     x   0.00000
  12  1  S     y   0.00000
  13  1  S     z   0.05554
  14  1  S     s   0.02516
  15  1  S     x   0.00000
  16  1  S     y   0.00000
  17  1  S     z  -0.00380
  18  1  S    xx   0.00643
  19  1  S    yy   0.00340
  20  1  S    zz  -0.00140
  21  1  S    xy   0.00000
  22  1  S    xz   0.00000
  23  1  S    yz   0.00000

   0.00000   0.00000   1.00000

