%chk=000072892.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072892

0 1
 S    2.757800       1.395200      0.1996000    
 S   -2.774800       1.421300     -0.1680000    
 O    2.473500       1.654900       1.605100    
 O    3.241600       2.481200     -0.6424000    
 O   -2.568700       1.735000      -1.569000    
 O   -3.248800       2.442500      0.7463000    
 N    1.363000      0.7235000     -0.5246000    
 N   -1.351000      0.7091000      0.4585000    
 C   0.7480000     -0.4817000      4.9800001E-02
 C  -0.7560000     -0.4527000     -0.1901000    
 C    3.906300      8.4700003E-02  9.1300003E-02
 C   -3.916000      7.4699998E-02 -7.2999999E-02
 C    4.728300     -3.1300001E-02  -1.029600    
 C   -4.668400     -9.3199998E-02   1.076500    
 C    4.000900     -0.8471000       1.124900    
 C   -4.034800     -0.7876000      -1.149000    
 C    5.645000      -1.079100      -1.117000    
 C   -5.567900      -1.156800       1.152300    
 C    4.917600      -1.894900       1.037700    
 C   -4.934300      -1.851000      -1.073300    
 C    5.739600      -2.010900     -8.3400004E-02
 C   -5.700800      -2.035600      7.7299997E-02
 H    1.180400      -1.366200     -0.4288000    
 H   0.9416000     -0.5363000       1.126100    
 H  -0.9485000     -0.4305000      -1.267900    
 H   -1.204000      -1.362500      0.2227000    
 H    1.225900      0.8616000      -1.533600    
 H   -1.173900      0.8023000       1.466500    
 H    4.666900      0.6781000      -1.850000    
 H   -4.573700      0.5747000       1.927000    
 H    3.369400     -0.7784000       2.006100    
 H   -3.444900     -0.6635000      -2.051700    
 H    6.283700      -1.170700      -1.990600    
 H   -6.163300      -1.302000       2.049000    
 H    4.990800      -2.621000       1.842000    
 H   -5.037100      -2.536200      -1.909700    
 H    6.452700      -2.827100     -0.1516000    
 H   -6.400400      -2.864100      0.1366000    


%chk=000072892-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072892

0 1
S 2.023850 0.701675 0.238376
S -2.012097 0.741951 0.174038
O 1.503021 0.268943 1.749093
O 1.962632 2.236248 -0.278880
O -1.477627 0.879469 -1.387168
O -1.961154 1.990602 1.205641
N 1.137799 -0.318820 -1.030949
N -1.140265 -0.667851 1.008198
C 0.713283 -1.645886 -0.518025
C -0.733129 -1.739540 0.064333
C 3.794119 0.063015 0.119769
C -3.779053 0.097493 0.035776
C 4.564197 0.472615 -0.981264
C -4.552672 0.049913 1.207485
C 4.272762 -0.753217 1.156448
C -4.251811 -0.260865 -1.236150
C 5.898971 0.012609 -1.049356
C -5.884995 -0.407017 1.089284
C 5.611523 -1.202932 1.068197
C -5.588596 -0.714929 -1.331972
C 6.416767 -0.824434 -0.031246
C -6.397200 -0.790522 -0.174061
H 0.797115 -2.357814 -1.361966
H 1.439065 -1.974313 0.248971
H -1.460721 -1.770603 -0.768233
H -0.829386 -2.699412 0.607701
H 0.339662 0.277375 -1.376429
H -0.333296 -0.241036 1.535509
H 4.142982 1.132212 -1.746171
H -4.135131 0.364786 2.168732
H 3.627523 -0.997983 2.006455
H -3.602463 -0.160968 -2.111999
H 6.531162 0.310366 -1.892162
H -6.519789 -0.459425 1.979769
H 6.022198 -1.838480 1.859521
H -5.994792 -1.000038 -2.307907
H 7.453092 -1.174078 -0.091253
H -7.431845 -1.140711 -0.256107


