%chk=000017521.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017521

0 1
 S    3.608100      0.2780000      0.1456000    
 O   -2.235800     -6.2600002E-02 -0.9569000    
 O    4.184000      -1.055500     -0.2277000    
 O   -2.625000     -1.2200000E-02   1.334800    
 N   -4.388000     -0.1499000     -0.1668000    
 C    1.836500      0.1745000     -0.1896000    
 C    1.089000       1.340400     -0.3565000    
 C    1.215300      -1.071200     -0.2803000    
 C  -0.2795000       1.260700     -0.6141000    
 C  -0.1533000      -1.150800     -0.5379000    
 C  -0.9006000      1.5100000E-02 -0.7048000    
 C    1.708700       2.698100     -0.2664000    
 C    1.974300      -2.347800     -0.1095000    
 C    3.492400      0.3283000       1.952000    
 C   -3.057000     -6.9100000E-02  0.1872000    
 C   -5.469000     -0.1759000      0.7909000    
 H  -0.8732000       2.162300     -0.7458000    
 H  -0.6492000      -2.115600     -0.6135000    
 H    2.080300       2.890500      0.7446000    
 H    2.527400       2.801400     -0.9861000    
 H   0.9867000       3.489500     -0.4978000    
 H    2.601800      -2.559100     -0.9806000    
 H    2.536600      -2.381200      0.8279000    
 H    1.280300      -3.195900     -4.0800001E-02
 H    2.948500     -0.5414000       2.327200    
 H    2.989800       1.245100       2.267400    
 H    4.505800      0.3198000       2.360800    
 H   -4.620500     -0.1921000      -1.154300    
 H   -5.094600     -0.1335000       1.816400    
 H   -6.035700      -1.097900      0.6405000    
 H   -6.117100      0.6822000      0.5968000    


%chk=000017521-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017521

0 1
S 3.667726 0.563925 -0.186807
O -2.332678 -0.623509 -0.005780
O 4.414460 -0.581077 -1.160014
O -3.315830 1.539896 0.291109
N -4.573620 -0.426373 0.023791
C 1.799879 0.152638 -0.034205
C 0.935819 1.277640 0.038306
C 1.314989 -1.182442 -0.085717
C -0.464612 1.063202 0.066523
C -0.088023 -1.362509 -0.073867
C -0.960111 -0.257747 0.004966
C 1.452517 2.709456 0.079806
C 2.221839 -2.400691 -0.131090
C 4.184106 0.076477 1.607763
C -3.413314 0.301464 0.120714
C -5.894968 0.200601 0.112160
H -1.151182 1.908260 0.131142
H -0.511794 -2.370477 -0.122824
H 2.102926 2.894595 0.955372
H 2.044477 2.956340 -0.820419
H 0.610113 3.417711 0.136831
H 3.151106 -2.183518 -0.688433
H 2.506236 -2.712513 0.893641
H 1.700500 -3.254518 -0.595967
H 3.981108 -0.996730 1.723289
H 3.603375 0.683258 2.319026
H 5.261750 0.286829 1.671594
H -4.484554 -1.432732 -0.118274
H -5.750496 1.281834 0.263348
H -6.472140 -0.202308 0.964452
H -6.472605 0.047218 -0.817733


