%chk=000077323.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077323

0 1
 S   -1.739600      0.2846000     -0.6614000    
 P   -3.727000      0.3869000      1.2900000E-02
 O   0.9551000      -2.230200      0.3787000    
 O    1.225200       2.394800      0.4398000    
 O   -4.726700      0.3875000      -1.269700    
 O   -4.140400     -0.9789000      0.7918000    
 O   -3.918400       1.601800      0.8836000    
 N   0.6714000      0.1047000      0.5023000    
 C    2.725100     -0.7017000     -9.1000004E-03
 C    2.804800      0.6830000      9.3999999E-03
 C    1.349800      -1.080900      0.3123000    
 C    1.481500       1.209100      0.3429000    
 C  -0.7377000      0.1814000      0.8329000    
 C    3.819600      -1.492300     -0.2932000    
 C    3.983200       1.350100     -0.2551000    
 C    5.024500     -0.8381000     -0.5650000    
 C    5.105600      0.5694000     -0.5460000    
 C   -6.126100      0.3995000      -1.044200    
 C   -4.029900      -2.230800      0.1370000    
 H   -1.027400     -0.7112000       1.395200    
 H  -0.9167000       1.071100       1.443700    
 H    3.757700      -2.574100     -0.3073000    
 H    4.046000       2.431800     -0.2404000    
 H    5.913100      -1.420500     -0.7940000    
 H    6.055700       1.051900     -0.7608000    
 H   -6.439900     -0.5270000     -0.5575000    
 H   -6.634400      0.4838000      -2.007800    
 H   -6.398100       1.256700     -0.4227000    
 H   -2.985700      -2.552900      0.1361000    
 H   -4.399700      -2.172500     -0.8895000    
 H   -4.625200      -2.964700      0.6860000    


%chk=000077323-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077323

0 1
S -1.954392 0.967205 -0.577427
P -3.914558 0.213276 0.363577
O 0.266137 -1.866498 0.318463
O 1.407859 2.689295 0.722707
O -4.760711 -0.062428 -1.128482
O -3.572914 -1.360629 0.991562
O -4.654000 1.110482 1.443301
N 0.507096 0.483186 0.623503
C 2.410657 -0.663809 -0.075128
C 2.755553 0.705634 0.042796
C 0.969870 -0.828742 0.288080
C 1.548730 1.468046 0.488084
C -0.848643 0.797941 1.004523
C 3.352228 -1.624003 -0.474645
C 4.053341 1.160129 -0.235542
C 4.667529 -1.174049 -0.759957
C 5.012555 0.196625 -0.642493
C -6.180715 0.364709 -1.216460
C -3.056978 -2.425843 0.088300
H -1.275511 -0.012864 1.614779
H -0.862829 1.765181 1.524753
H 3.075046 -2.679191 -0.560505
H 4.308230 2.220167 -0.141241
H 5.429614 -1.894107 -1.076099
H 6.035611 0.513948 -0.870209
H -6.820055 -0.255598 -0.564219
H -6.443488 0.207995 -2.273003
H -6.290967 1.428207 -0.943322
H -2.010872 -2.216316 -0.188898
H -3.697997 -2.516272 -0.805197
H -3.110026 -3.339375 0.699299


