%chk=000103636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103636

1 1
 S    3.858200      -1.940300      0.6489000    
 N   -3.110900      -1.207000     -0.5543000    
 N   -2.574700      0.3956000      0.7973000    
 N    2.614600      0.2993000      6.4400002E-02
 N   0.1805000     -0.6811000      0.7254000    
 N    1.250100      -1.556400      0.8745000    
 C   -4.199400     -0.3600000     -0.5129000    
 C   -3.853200      0.6745000      0.3597000    
 C   -2.154400     -0.7333000      0.2369000    
 C   -5.430900     -0.4154000      -1.154900    
 C   -4.714500       1.725600      0.6513000    
 C   -3.029600      -2.425100      -1.341800    
 C   -1.812600       1.212400       1.726200    
 C  -0.9051000      -1.328600      0.4468000    
 C   -6.310900      0.6387000     -0.8707000    
 C   -5.961300       1.683600      1.0900000E-02
 C    3.973100      0.5449000     -0.2032000    
 C    4.808500     -0.5571000      5.4099999E-02
 C    2.351400     -0.9818000      0.5313000    
 C    4.543200       1.722700     -0.6773000    
 C    1.634300       1.344900     -0.1564000    
 C    6.180100     -0.5120000     -0.1479000    
 C    5.925600       1.782900     -0.8857000    
 C    6.738100      0.6731000     -0.6226000    
 H   -5.700900      -1.218100      -1.828800    
 H   -4.445600       2.529000       1.324800    
 H   -2.045600      -2.491500      -1.814700    
 H   -3.181100      -3.283400     -0.6816000    
 H   -3.782500      -2.438600      -2.132800    
 H   -2.473900       1.862500       2.304600    
 H   -1.279800      0.5792000       2.440100    
 H   -1.113600       1.833600       1.162700    
 H  -0.8874000      -2.426200      0.3193000    
 H   -7.291300      0.6520000      -1.341900    
 H   -6.679800       2.478700      0.1976000    
 H    3.967500       2.614200     -0.8947000    
 H    1.186200       1.646000      0.7956000    
 H   0.8553000       1.009500     -0.8496000    
 H    2.026500       2.260200     -0.6034000    
 H    6.811200      -1.370900      5.5199999E-02
 H    6.374800       2.701200      -1.254800    
 H    7.809600      0.7381000     -0.7900000    


%chk=000103636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103636

1 1
S 3.846326 -1.983860 0.147304
N -3.452603 -1.343021 -0.588698
N -2.669907 0.530135 0.366402
N 2.931226 0.479414 -0.232611
N 0.134306 -0.599845 -0.063186
N 1.254530 -1.393102 -0.169052
C -4.573599 -0.534292 -0.305261
C -4.073250 0.657196 0.295364
C -2.296513 -0.689552 -0.175642
C -5.953533 -0.728046 -0.514920
C -4.929441 1.697868 0.705179
C -3.494196 -2.669276 -1.228545
C -1.794998 1.542492 0.983583
C -0.995729 -1.277161 -0.313201
C -6.812399 0.313326 -0.104755
C -6.310653 1.504595 0.493861
C 4.340157 0.630906 -0.114705
C 5.018046 -0.600097 0.092187
C 2.468802 -0.820864 -0.102811
C 5.063138 1.842299 -0.186237
C 2.084259 1.650197 -0.549373
C 6.416010 -0.656210 0.225222
C 6.466281 1.789173 -0.051940
C 7.138168 0.556426 0.149915
H -6.356385 -1.637718 -0.968560
H -4.550938 2.615516 1.163752
H -2.815911 -2.702738 -2.096844
H -3.218342 -3.462781 -0.513137
H -4.516798 -2.858328 -1.584308
H -2.168904 1.780890 1.993632
H -0.774820 1.140949 1.045209
H -1.791220 2.461760 0.371633
H -0.943536 -2.329191 -0.627415
H -7.891287 0.202728 -0.248938
H -7.013781 2.286370 0.796201
H 4.558174 2.801017 -0.333919
H 2.038484 2.331484 0.318886
H 1.069430 1.309142 -0.786054
H 2.515439 2.186131 -1.411812
H 6.934305 -1.606442 0.382518
H 7.044065 2.717100 -0.102113
H 8.227399 0.541007 0.250788


