%chk=000005109.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005109

0 1
 S   -3.235700     -0.7995000       1.331900    
 S   -1.263000       1.339900       1.565600    
 O   -1.434100      -1.139300      -1.683900    
 O   -3.426600     -0.5239000       2.742600    
 O   -4.359200      -1.079800      0.4595000    
 N   2.4000000E-02  -2.887000      -1.086100    
 N   -2.063200      -2.037900       1.152100    
 N    2.008500     -0.3061000      -1.039000    
 N    4.231700       1.875200      0.9415000    
 N   -2.017100       3.455600      -1.611000    
 C   -2.085500      -2.839300     -8.3499998E-02
 C   -1.450200      -4.208100      0.1346000    
 C   2.4599999E-02  -3.986500     -0.1501000    
 C   -1.166300      -2.161500      -1.069000    
 C    1.214700      -2.521100      -1.821800    
 C    2.134600      -1.653500      -1.004600    
 C    3.148100      -2.004400     -0.1742000    
 C   -2.530500      0.6980000      0.6435000    
 C    3.689900     -0.7953000      0.3445000    
 C    2.956600      0.2528000     -0.2143000    
 C   -2.822400       1.406500     -0.4706000    
 C   -1.972400       2.546400     -0.5981000    
 C   -1.061300       2.636600      0.4553000    
 C    4.730200     -0.4885000       1.232900    
 C    3.226800       1.582100      8.3499998E-02
 C    4.943200      0.8605000       1.483900    
 C  -0.1425000       3.694600      0.4997000    
 C  -0.1836000       4.625100     -0.5307000    
 C   -1.119300       4.458400      -1.534300    
 H   -3.091000      -2.957800     -0.4926000    
 H   -1.854000      -4.913800     -0.6026000    
 H   -1.624600      -4.627500       1.130200    
 H   0.5680000      -3.681300      0.7498000    
 H   0.4960000      -4.870300     -0.5892000    
 H   0.9090000      -1.978600      -2.724600    
 H    1.726300      -3.435200      -2.142800    
 H   -1.133200      -1.875600       1.559900    
 H    3.477300      -3.010100      4.8900001E-02
 H    1.328500      0.2146000      -1.576800    
 H   -3.600600       1.143300      -1.175600    
 H    5.337400      -1.254400       1.701200    
 H    2.676800       2.412400     -0.3385000    
 H    5.732200       1.171300       2.162200    
 H   0.5771000       3.788100       1.306400    
 H   0.5048000       5.463000     -0.5463000    
 H   -1.170800       5.172700      -2.351300    


%chk=000005109-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005109

0 1
S -3.425926 -0.697801 1.174866
S -1.961717 1.912221 2.191267
O -0.999370 -1.268676 -1.706732
O -3.896138 -0.561955 2.716899
O -4.462058 -1.032873 -0.030963
N 0.047311 -3.265814 -1.031345
N -2.177255 -2.086003 1.133329
N 1.707406 -0.582507 -1.150050
N 3.666543 2.203857 0.435237
N -0.902018 3.228792 -1.466110
C -2.106925 -2.878471 -0.113497
C -1.696680 -4.350039 0.177280
C -0.170716 -4.416295 -0.121880
C -0.998567 -2.369804 -1.065232
C 1.326598 -3.001560 -1.737568
C 2.150023 -1.912087 -1.096646
C 3.370492 -1.967893 -0.413434
C -2.491281 0.869159 0.802041
C 3.696294 -0.616383 -0.016296
C 2.627104 0.231160 -0.489447
C -2.149242 1.317750 -0.448036
C -1.395452 2.556008 -0.376380
C -1.192422 3.012839 0.970695
C 4.760151 0.005396 0.690423
C 2.644192 1.623764 -0.248057
C 4.692742 1.398218 0.886093
C -0.462933 4.192174 1.218025
C 0.038734 4.878548 0.092650
C -0.204046 4.366925 -1.214300
H -3.095506 -2.795832 -0.598508
H -2.241662 -5.023529 -0.505882
H -1.939555 -4.632093 1.212546
H 0.448270 -4.311044 0.790724
H 0.113987 -5.359326 -0.622067
H 1.074379 -2.721442 -2.778609
H 1.902900 -3.940166 -1.766614
H -1.283776 -1.742465 1.524138
H 3.959241 -2.865922 -0.231963
H 0.792820 -0.326716 -1.544788
H -2.377794 0.799339 -1.379892
H 5.608899 -0.567557 1.077613
H 1.847080 2.286970 -0.603316
H 5.488022 1.922693 1.427149
H -0.280413 4.561538 2.231330
H 0.622908 5.794831 0.216616
H 0.184556 4.892869 -2.093106


