%chk=000038421.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038421

0 1
 S  -0.7637000       2.001800     -0.4453000    
 O   -1.426900       2.494000      0.7467000    
 O  -0.6938000       2.800500      -1.653400    
 O   -4.126400     -0.6440000       1.264900    
 O   -3.996100      0.8202000     -0.4628000    
 N   -1.381100      0.4410000     -0.8246000    
 C   -1.981300     -0.3494000      0.2479000    
 C   -1.776300      -1.845500     -3.5999998E-02
 C  -0.3180000      -2.230400     -0.1343000    
 C   0.9545000       1.786600      1.8100001E-02
 C   -3.452100      2.7600000E-02  0.2956000    
 C   0.3145000      -2.180100      -1.365500    
 C   0.3572000      -2.625200       1.008800    
 C    1.907900       1.858000     -0.9661000    
 C    1.248800       1.558400       1.338800    
 C    1.660300      -2.535000      -1.456300    
 C    1.703200      -2.980000      0.9179000    
 C    2.354700      -2.934900     -0.3147000    
 C    3.244900       1.689900     -0.6057000    
 C    2.585800       1.390400       1.699200    
 C    3.583800       1.456200      0.7269000    
 H   -1.526100     -9.0300001E-02   1.210300    
 H   -2.289500      -2.128900     -0.9656000    
 H   -2.256800      -2.447500      0.7466000    
 H   -1.681000      0.2452000      -1.787500    
 H  -0.2167000      -1.873900      -2.262100    
 H  -0.1413000      -2.660200       1.973200    
 H    1.664000       2.026300      -2.009400    
 H   0.4848000       1.494400       2.106100    
 H    2.167800      -2.499500      -2.415900    
 H    2.244400      -3.289900       1.807000    
 H    3.403000      -3.210000     -0.3852000    
 H    4.021900       1.737300      -1.363200    
 H    2.849700       1.205100       2.736400    
 H    4.624600       1.323300       1.007200    
 H   -5.078200     -0.4071000       1.279100    


%chk=000038421-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038421

0 1
S -0.607876 1.868951 0.435096
O -0.818616 1.278059 1.944010
O -1.176324 3.334294 0.006628
O -4.505820 -0.929485 0.462060
O -4.090309 0.679640 -1.162666
N -1.321292 0.538576 -0.730869
C -2.190318 -0.422710 -0.018993
C -1.817844 -1.894476 -0.407181
C -0.434004 -2.300352 0.073819
C 1.227789 1.825656 0.010559
C -3.665115 -0.137598 -0.316316
C 0.599650 -2.596227 -0.848858
C -0.158106 -2.415765 1.462026
C 1.736505 2.914224 -0.715122
C 1.998229 0.741194 0.457332
C 1.877084 -3.005704 -0.400624
C 1.116517 -2.821264 1.915157
C 2.139922 -3.120887 0.983702
C 3.118979 2.908399 -1.013479
C 3.377296 0.756714 0.145949
C 3.932944 1.833082 -0.586042
H -2.033635 -0.298500 1.074791
H -1.887213 -1.995299 -1.505063
H -2.586378 -2.550653 0.043233
H -1.859489 1.085933 -1.438031
H 0.404115 -2.500382 -1.923186
H -0.943384 -2.190397 2.194324
H 1.077468 3.735407 -1.014924
H 1.553365 -0.080456 1.026556
H 2.662247 -3.234676 -1.130043
H 1.309275 -2.909302 2.990172
H 3.125578 -3.447723 1.334149
H 3.554397 3.741861 -1.574249
H 4.008837 -0.074798 0.475035
H 5.003005 1.835859 -0.820459
H -5.456978 -0.726796 0.248609


