%chk=000006662.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006662

0 1
 S  -0.3297000      -1.004800       1.264100    
 O    1.315700       1.303900     -0.9103000    
 O   0.1869000     -0.1602000       2.333800    
 O  -0.6592000      -2.397400       1.543200    
 O   8.8500001E-02  -3.002000      -1.066100    
 N   0.7429000     -0.9715000     -9.2200004E-02
 N    2.386000       2.187800     -0.8449000    
 N   -5.157700       1.726500     -0.8775000    
 C    1.646600      0.1938000     -0.2343000    
 C   -1.747700     -0.2031000      0.6357000    
 C    2.891000      0.2781000      0.2888000    
 C    3.314700       1.553300     -0.1239000    
 C   0.8132000      -2.009200      -1.095600    
 C   -2.750700     -0.9463000      1.3400000E-02
 C   -1.876900       1.180700      0.7547000    
 C    3.633100     -0.7085000       1.091800    
 C   -3.883000     -0.3056000     -0.4898000    
 C   -3.009300       1.821300      0.2517000    
 C   -4.012400       1.078100     -0.3705000    
 C    4.603100       2.213400      0.1454000    
 C    1.804700      -1.828400      -2.217300    
 H   -2.668200      -2.024000     -9.5200002E-02
 H   -1.105500       1.781600       1.228000    
 H    4.692900     -0.7207000      0.8170000    
 H    3.559500     -0.4642000       2.156400    
 H    3.247200      -1.722900      0.9502000    
 H   -4.657200     -0.8954000     -0.9737000    
 H   -3.097500       2.900300      0.3492000    
 H    5.410200       1.711700     -0.3982000    
 H    4.594700       3.265000     -0.1604000    
 H    4.838500       2.180900       1.214200    
 H    2.825400      -1.828300      -1.827800    
 H    1.710700      -2.663500      -2.918500    
 H    1.600100     -0.9042000      -2.763800    
 H   -5.884700       1.188900      -1.330700    
 H   -5.250500       2.730000     -0.7930000    


%chk=000006662-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006662

0 1
S -0.211994 -0.693534 1.120898
O 2.128147 1.110373 -1.446198
O 0.521390 0.522997 1.923133
O -0.332017 -2.159685 1.800945
O -0.511207 -2.203187 -1.448397
N 1.128168 -0.864880 -0.498652
N 3.267634 1.972100 -1.161745
N -5.609828 1.352884 -0.650242
C 2.147258 0.037756 -0.498569
C -1.864116 -0.075009 0.544304
C 3.218575 0.223812 0.380021
C 3.867948 1.430492 -0.067517
C 0.617159 -1.645031 -1.544610
C -2.825548 -1.005536 0.104701
C -2.093906 1.314563 0.580459
C 3.590727 -0.638408 1.547748
C -4.083132 -0.521203 -0.284509
C -3.353004 1.789769 0.181822
C -4.366150 0.880891 -0.256450
C 5.079866 2.095275 0.518864
C 1.521044 -1.785713 -2.766479
H -2.586533 -2.071003 0.064939
H -1.312708 1.995380 0.932363
H 4.683393 -0.795048 1.602800
H 3.264429 -0.167128 2.493413
H 3.092275 -1.620692 1.487426
H -4.851236 -1.224667 -0.624836
H -3.560342 2.865417 0.210864
H 5.946989 1.409776 0.522511
H 5.344579 2.992017 -0.064300
H 4.891083 2.398863 1.564581
H 2.547406 -2.066067 -2.472434
H 1.095268 -2.556880 -3.425000
H 1.576997 -0.825651 -3.309123
H -6.334505 0.714588 -0.967011
H -5.818705 2.347468 -0.641817


