%chk=000075837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075837

0 1
 S   0.8147000      -1.356700      0.5983000    
 O    1.485900     -0.2763000     -0.4282000    
 O   0.7042000     -0.7557000       1.916400    
 O    1.480300      -2.634300      0.4024000    
 O   -5.268800      8.6499996E-02 -0.7001000    
 O    5.087100       2.416200      -2.030500    
 O    5.709700     -0.3726000       1.793200    
 N   -4.679400       2.500600      0.4577000    
 N   -5.404900       3.301800      0.5571000    
 C   -1.798200     -0.5297000      0.1246000    
 C  -0.8323000      -1.543000      1.4000000E-02
 C   -3.103200     -0.7602000     -0.3719000    
 C   -1.148500      -2.766500     -0.5774000    
 C   -1.497300      0.7078000      0.7169000    
 C   -3.403900      -1.997500     -0.9644000    
 C   -4.069000      0.2535000     -0.2614000    
 C   -2.431900      -2.993200      -1.065700    
 C   -2.469200       1.703600      0.8185000    
 C   -3.752800       1.476800      0.3305000    
 C    2.786000      0.1553000     -0.3252000    
 C    3.591800     -0.3356000      0.6936000    
 C    3.276500       1.076100      -1.241700    
 C    4.596700       1.513900      -1.137200    
 C    4.912000      0.1023000      0.7980000    
 C    5.414500       1.027000     -0.1174000    
 H  -0.4244000      -3.568500     -0.6813000    
 H  -0.5129000      0.9822000       1.074800    
 H   -4.389400      -2.228600      -1.362700    
 H   -2.677400      -3.945500      -1.527100    
 H   -2.211200       2.657800       1.271100    
 H    3.249100      -1.052700       1.429900    
 H    2.637100       1.453700      -2.035100    
 H    6.444400       1.364100     -3.0200001E-02
 H    6.014900       2.606600      -1.809300    
 H    5.203000      -1.002000       2.334300    


%chk=000075837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075837

0 1
S 0.837029 -1.601037 0.454170
O 1.460474 0.132207 -0.381931
O 0.858102 -1.391978 2.068796
O 1.617785 -2.872061 -0.188194
O -5.412938 0.241841 -0.614476
O 5.733523 0.268475 -2.574678
O 5.433702 1.589023 2.086318
N -4.873565 2.082519 1.374095
N -5.831207 2.737977 1.558322
C -1.871082 -0.595725 0.205357
C -0.911835 -1.539100 -0.261629
C -3.159343 -0.658873 -0.440820
C -1.144148 -2.474818 -1.275791
C -1.618822 0.382720 1.248886
C -3.415971 -1.607087 -1.465039
C -4.263881 0.266856 -0.066978
C -2.424799 -2.510877 -1.881762
C -2.601097 1.266053 1.637403
C -3.902545 1.232693 1.012496
C 2.828166 0.357700 -0.302081
C 3.394550 0.835776 0.913909
C 3.619631 0.146606 -1.458628
C 4.993690 0.464995 -1.400788
C 4.774822 1.116661 0.942258
C 5.583269 0.944745 -0.208313
H -0.346949 -3.161937 -1.577944
H -0.643233 0.404997 1.738211
H -4.412913 -1.606019 -1.916762
H -2.631298 -3.239565 -2.670877
H -2.411659 2.002655 2.424139
H 2.751230 0.970462 1.790029
H 3.172791 -0.241811 -2.376170
H 6.650449 1.184337 -0.142466
H 6.686853 0.496261 -2.440376
H 4.814415 1.642530 2.855818


