%chk=000006622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006622

0 1
 S    1.449200      -1.786600      0.1041000    
 O    1.728000      -2.579400      -1.085100    
 O    1.514800      -2.408700       1.420200    
 O   -6.156100       2.230000     -0.4898000    
 N   -4.112800      0.2674000     -0.3488000    
 N    5.185400       2.836700     -5.0200000E-02
 C  -0.2091000      -1.174500     -3.0999999E-02
 C    2.546000     -0.4290000      5.8699999E-02
 C   -2.793700     -0.2206000     -0.2411000    
 C  -0.9004000     -0.8509000       1.120700    
 C  -0.7726000      -1.034800      -1.284900    
 C   -2.205200     -0.3694000       1.014600    
 C   -2.077300     -0.5533000      -1.390900    
 C    2.920000      0.2054000       1.243400    
 C    3.048400      2.1500001E-02  -1.162200    
 C   -4.902500      0.6280000      0.7875000    
 C    3.796200       1.290100       1.207300    
 C    3.924700       1.106200      -1.198200    
 C    4.298500       1.740500     -1.3400000E-02
 C   -6.281400       1.081400      0.3393000    
 H  -0.4572000     -0.9499000       2.106600    
 H  -0.2278000      -1.281900      -2.190700    
 H   -2.725200     -0.1192000       1.934400    
 H   -2.523900     -0.4400000      -2.375500    
 H    2.536000     -0.1251000       2.204400    
 H    2.765600     -0.4509000      -2.098600    
 H   -4.519600      0.2858000      -1.277400    
 H   -4.420700       1.451000       1.328800    
 H   -5.021800     -0.2232000       1.467400    
 H    4.079000       1.776900       2.137100    
 H    4.308100       1.449000      -2.155900    
 H   -6.895300       1.351800       1.203600    
 H   -6.803200      0.3010000     -0.2245000    
 H    5.455700       3.298100      0.8081000    
 H    5.548600       3.164400     -0.9354000    
 H   -5.645100       1.976800      -1.276500    


%chk=000006622-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006622

0 1
S 1.505649 -1.817857 0.180111
O 1.795133 -2.720266 -1.160363
O 1.643854 -2.399286 1.708847
O -5.784562 2.615428 -0.142272
N -4.245142 0.111587 -0.395777
N 5.255515 2.950145 -0.150414
C -0.260001 -1.184369 0.013469
C 2.634534 -0.319721 0.073452
C -2.927713 -0.340338 -0.226406
C -0.976668 -0.866495 1.177145
C -0.838000 -1.132232 -1.267867
C -2.315600 -0.442959 1.058830
C -2.170394 -0.703360 -1.383889
C 3.011171 0.326620 1.263842
C 3.129221 0.064184 -1.185269
C -5.192610 0.357327 0.704592
C 3.887589 1.423581 1.187471
C 4.005335 1.161567 -1.259598
C 4.391137 1.862729 -0.075686
C -6.308225 1.294719 0.210864
H -0.504807 -0.984699 2.158508
H -0.261080 -1.448640 -2.143178
H -2.881021 -0.214728 1.966379
H -2.638551 -0.649515 -2.374611
H 2.645672 -0.044203 2.227410
H 2.854404 -0.506149 -2.078960
H -4.672430 -0.099726 -1.301986
H -4.659315 0.861817 1.529322
H -5.628479 -0.585012 1.104978
H 4.195172 1.940107 2.104223
H 4.404086 1.475700 -2.231304
H -7.044210 1.465834 1.013219
H -6.838575 0.833748 -0.653789
H 5.547318 3.443634 0.688221
H 5.631076 3.258259 -1.042593
H -4.936184 2.477169 -0.640820


