%chk=000093196.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093196

0 1
 I    3.877400     -0.6990000       2.751600    
 S  -0.3330000      -1.993400     -0.5030000    
 O   0.5911000      -1.866700      0.8350000    
 O  -0.6845000      -3.392800     -0.6561000    
 O   0.3064000      -1.255800      -1.575600    
 O    4.891800       1.379200     -4.6200000E-02
 N   0.4786000      0.6954000     -0.4241000    
 N    3.242700     -0.1141000     -0.7178000    
 C   -1.934500      0.2718000      4.4399999E-02
 C  -0.8314000       1.127500     -0.1093000    
 C   -3.198700      0.8227000      0.3625000    
 C   -1.810400      -1.118400     -0.1107000    
 C    1.468100       1.566400     -0.9724000    
 C  -0.9729000       2.506500      4.8400000E-02
 C   -3.322700       2.212900      0.5176000    
 C   -4.301700     -3.3100002E-02  0.5162000    
 C   -2.916800      -1.953600      4.5600001E-02
 C    2.571400      0.7612000      -1.641100    
 C   -2.216200       3.048100      0.3612000    
 C   -4.160100      -1.412000      0.3584000    
 C    4.359900      0.2719000      1.1300000E-02
 C    4.895500     -0.8248000      0.9039000    
 H    1.039900       2.221600      -1.741100    
 H    1.900400       2.194400     -0.1840000    
 H   0.8348000     -3.0800000E-02  0.1868000    
 H  -0.1465000       3.205300     -3.8400002E-02
 H   -4.284600       2.658200      0.7634000    
 H   -5.282900      0.3683000      0.7610000    
 H    2.184000      0.1471000      -2.459500    
 H    3.307500       1.448200      -2.074200    
 H   -2.871900      -3.032800     -5.8600001E-02
 H   -2.325600       4.121200      0.4891000    
 H   -5.021500      -2.062100      0.4814000    
 H    2.865900      -1.049000     -0.5915000    
 H   0.2120000      -2.268600       1.651800    
 H    5.973700     -0.6788000       1.026300    
 H    4.750000      -1.801200      0.4299000    


%chk=000093196-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093196

0 1
I 4.166130 -2.692074 1.680511
S -0.598815 -2.095038 -0.965420
O 0.980336 -1.896525 0.117817
O -0.978309 -3.664473 -0.828122
O -0.165545 -1.490295 -2.390395
O 4.937691 1.332087 -0.025222
N 0.448006 0.807242 -0.384719
N 3.251308 -0.209273 -0.495533
C -1.941575 0.377947 0.053595
C -0.835791 1.291222 -0.214173
C -3.224523 0.946599 0.470502
C -1.931310 -1.054852 -0.029972
C 1.547469 1.576811 -0.980292
C -1.111880 2.679994 -0.293892
C -3.424753 2.361138 0.437884
C -4.285648 0.082127 0.901078
C -2.970145 -1.896027 0.371904
C 2.628674 0.623832 -1.540665
C -2.392212 3.201741 0.012759
C -4.157806 -1.304923 0.892961
C 4.352713 0.218201 0.187278
C 4.968480 -0.638613 1.294962
H 1.155363 2.182829 -1.819117
H 2.014644 2.271329 -0.249992
H 0.712544 -0.081345 0.060900
H -0.298352 3.371782 -0.528546
H -4.393356 2.766702 0.747355
H -5.221218 0.544847 1.235052
H 2.171530 -0.045378 -2.289503
H 3.420793 1.227498 -2.015352
H -2.888394 -2.980106 0.247132
H -2.550757 4.284188 -0.039360
H -4.973988 -1.950061 1.230863
H 2.785421 -1.096434 -0.259065
H 1.035504 -2.692308 0.717899
H 4.870088 -0.117859 2.259616
H 6.032884 -0.801633 1.071469


