%chk=000128554.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128554

0 1
 S   -4.395500     -0.7181000      0.2199000    
 O   -4.208800      -1.242100       1.754200    
 O   -5.628300      4.8000000E-02  0.1728000    
 O   -4.173200      -1.837500     -0.6768000    
 N    2.305600      -1.219300     -0.4319000    
 C   -1.727900     -1.6100001E-02 -0.1356000    
 C  -0.7150000      0.9500000     -0.3440000    
 C   -3.065400      0.4010000     -3.8600001E-02
 C   0.9570000     -0.8171000     -0.3338000    
 C   0.6226000      0.5331000     -0.4410000    
 C   -1.373100      -1.370900     -3.0200001E-02
 C   -1.069500       2.304900     -0.4498000    
 C  -3.9000001E-02  -1.767200     -0.1287000    
 C   -3.399400       1.751400     -0.1455000    
 C   -2.403500       2.701400     -0.3508000    
 C    3.517100     -0.5821000     -0.1015000    
 C    4.679400     -0.8738000     -0.8176000    
 C    3.558800      0.3429000      0.9434000    
 C    5.879600     -0.2429000     -0.4899000    
 C    4.759100      0.9738000       1.271000    
 C    5.919300      0.6807000      0.5544000    
 H    1.394200       1.278500     -0.6246000    
 H   -2.079100      -2.165000      0.1782000    
 H  -0.3078000       3.065100     -0.6099000    
 H   0.2119000      -2.820600     -3.2099999E-02
 H   -4.423100       2.105000     -7.1400002E-02
 H   -2.663500       3.752800     -0.4334000    
 H    2.425900      -2.151800     -0.8176000    
 H    4.661500      -1.591200      -1.634200    
 H    2.676300      0.5743000       1.533400    
 H    6.783100     -0.4710000      -1.047700    
 H    4.791500       1.689300       2.087400    
 H   -4.263500     -0.5449000       2.449500    
 H    6.854000       1.171000      0.8104000    


%chk=000128554-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128554

0 1
S -4.558674 -0.670347 0.053403
O -4.277224 -1.152875 1.830960
O -5.936488 0.170735 -0.056487
O -4.386300 -2.012159 -0.839825
N 2.339936 -1.236182 -0.220062
C -1.752435 0.008168 -0.098322
C -0.700921 1.010737 -0.187482
C -3.089445 0.505911 -0.062650
C 1.021093 -0.754799 -0.166429
C 0.667743 0.605037 -0.223653
C -1.371389 -1.374403 -0.060377
C -1.061224 2.399876 -0.248698
C -0.031412 -1.737410 -0.087999
C -3.443377 1.850114 -0.114444
C -2.393777 2.812653 -0.217381
C 3.565078 -0.542139 -0.043847
C 4.727710 -1.065205 -0.676189
C 3.689880 0.605078 0.787478
C 5.982332 -0.451094 -0.488449
C 4.949218 1.218585 0.956947
C 6.102299 0.702178 0.321955
H 1.434786 1.375911 -0.335225
H -2.142446 -2.147743 -0.014983
H -0.260335 3.144393 -0.323443
H 0.239608 -2.799826 -0.044401
H -4.495221 2.150216 -0.081493
H -2.647508 3.875955 -0.265965
H 2.432930 -2.224486 -0.462221
H 4.640605 -1.947539 -1.322795
H 2.822606 0.988489 1.331871
H 6.865683 -0.868917 -0.983946
H 5.030152 2.098183 1.605547
H -4.977728 -1.829343 2.065770
H 7.075545 1.183848 0.460833


