%chk=000128115.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128115

0 1
 S  -0.2122000      0.2425000       1.630700    
 S    5.806600     -0.3080000      0.5815000    
 N    4.953300       1.746800     -0.8992000    
 N   -5.459400     -6.2600002E-02  -1.200900    
 N   -6.409800     -0.3313000     -0.4339000    
 N   -7.281400     -0.5765000      0.2608000    
 C    2.298000      0.3794000      0.5048000    
 C    3.299100     -3.7700001E-02 -0.5760000    
 C   0.9332000     -0.2818000      0.3216000    
 C    4.655100      0.6019000     -0.3804000    
 C   -1.784700      0.1512000      0.7820000    
 C   -2.216900      -1.063200      0.2579000    
 C   -2.566200       1.295000      0.6514000    
 C    7.153000     -0.5481000     -0.5972000    
 C   -3.442700      -1.134300     -0.4038000    
 C   -3.792100       1.223600     -1.0200000E-02
 C   -4.230300      8.8999998E-03 -0.5379000    
 C    8.297600      -1.305600      4.8599999E-02
 H    2.707500      0.1212000       1.490000    
 H    2.193000       1.472200      0.4873000    
 H    3.402800      -1.128900     -0.5942000    
 H    2.921700      0.2637000      -1.560800    
 H    1.025700      -1.372500      0.3500000    
 H   0.5285000     -1.8000000E-03 -0.6572000    
 H   -1.619800      -1.966300      0.3550000    
 H   -2.239900       2.249700       1.055900    
 H    6.778400      -1.105100      -1.461900    
 H    7.514900      0.4224000     -0.9501000    
 H   -3.775400      -2.085500     -0.8113000    
 H   -4.398100       2.120400     -0.1103000    
 H    8.711100     -0.7589000      0.9028000    
 H    7.982300      -2.297800      0.3892000    
 H    9.106500      -1.447100     -0.6760000    
 H    5.913100       1.995000     -0.6382000    


%chk=000128115-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128115

0 1
S 0.021241 0.923833 0.857374
S 5.606154 -1.083456 0.098895
N 5.361093 0.805096 -2.037607
N -5.803357 -0.553394 -0.181132
N -6.766283 -0.111137 0.509388
N -7.793343 0.187513 1.027927
C 2.483870 0.330785 -0.316876
C 3.328907 -0.403705 -1.396329
C 0.990523 -0.000226 -0.479096
C 4.809025 -0.083174 -1.269076
C -1.709967 0.445924 0.502053
C -2.099519 -0.427352 -0.543721
C -2.707023 1.003374 1.345926
C 7.366047 -0.381401 0.069295
C -3.459156 -0.737552 -0.742972
C -4.065948 0.697377 1.152263
C -4.448011 -0.178992 0.100759
C 8.200178 -1.058173 1.166924
H 2.830087 0.035776 0.691217
H 2.644292 1.420178 -0.416506
H 3.171488 -1.496541 -1.312202
H 3.010271 -0.082393 -2.403697
H 0.809422 -1.082457 -0.353423
H 0.617422 0.326231 -1.465799
H -1.357468 -0.873370 -1.211584
H -2.418970 1.680551 2.157723
H 7.791055 -0.576027 -0.931467
H 7.298581 0.708651 0.234353
H -3.766966 -1.410703 -1.548749
H -4.821391 1.137515 1.813552
H 7.772522 -0.872905 2.167578
H 8.258303 -2.149652 1.012273
H 9.229888 -0.656091 1.155029
H 6.369529 0.996795 -1.882293


