%chk=000022795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022795

0 1
 S    1.745000      3.3000000E-03  0.4521000    
 O    2.109300       1.266200       1.078500    
 O    2.136600      -1.252700       1.077200    
 N   -4.144800     -4.1999999E-03 -0.3653000    
 C    2.419100     -4.9000001E-03  -1.193800    
 C   1.5600000E-02  1.0000000E-03  0.2123000    
 C  -0.6759000       1.208100      0.1102000    
 C  -0.6746000      -1.207900      0.1229000    
 C    3.931300     -3.8000001E-03  -1.173700    
 C   -2.057600       1.206500     -8.1200004E-02
 C   -2.056400      -1.209500     -6.8599999E-02
 C   -2.747700     -2.2000000E-03 -0.1706000    
 H    2.046200     -0.8991000      -1.702300    
 H    2.045000      0.8837000      -1.711000    
 H  -0.1580000       2.161200      0.1697000    
 H  -0.1551000      -2.159400      0.1932000    
 H    4.325200     -6.0000001E-03  -2.194700    
 H    4.320000      0.8819000     -0.6612000    
 H    4.321800     -0.8863000     -0.6570000    
 H   -2.584900       2.153800     -0.1610000    
 H   -2.582800      -2.157900     -0.1383000    
 H   -4.647000      0.8706000     -0.4378000    
 H   -4.645800     -0.8805000     -0.4286000    


%chk=000022795-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022795

0 1
S 1.783737 0.002912 0.448682
O 2.189142 1.437352 1.127633
O 2.190944 -1.426170 1.138141
N -4.244156 -0.005036 -0.334465
C 2.571731 -0.002719 -1.336117
C -0.081416 0.000430 0.164277
C -0.751870 1.233882 0.092803
C -0.750233 -1.234619 0.106904
C 4.088618 -0.003462 -1.184329
C -2.147721 1.230219 -0.076514
C -2.146093 -1.234526 -0.062512
C -2.863934 -0.003173 -0.165002
H 2.161295 -0.913206 -1.800623
H 2.162670 0.906309 -1.804620
H -0.193732 2.170156 0.197804
H -0.190776 -2.168757 0.223024
H 4.561577 -0.005579 -2.183284
H 4.429616 0.893742 -0.640596
H 4.428538 -0.899030 -0.637256
H -2.693398 2.179189 -0.130793
H -2.690582 -2.184738 -0.105956
H -4.765274 0.865382 -0.387991
H -4.764182 -0.876656 -0.378210


