%chk=000005331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005331

0 1
 S   -3.026400      -1.892300     -0.3184000    
 S    3.375700      -1.850000     -0.1715000    
 O  -0.9670000       2.574000     -0.3394000    
 O    1.281800       1.975100     -6.0899999E-02
 O   0.1760000      0.5563000       1.434100    
 O   -2.080300     -0.8273000      -1.123400    
 O   -3.088400      -1.070100       1.096500    
 O    2.353700     -0.6388000      0.2409000    
 O   -2.282300      -3.118900     -0.1173000    
 O   -4.346200      -1.889100     -0.9163000    
 O    2.660400      -3.109200     -7.3600002E-02
 O    4.014400      -1.473100      -1.419500    
 N    4.573500      -1.819800       1.054900    
 C  -0.7883000       1.204400     -0.7300000    
 C   0.4562000      0.8004000      5.1899999E-02
 C   -2.046900      0.4224000     -0.4133000    
 C   -2.169800      3.5300002E-02   1.069400    
 C   0.3642000       3.075300     -0.1536000    
 C  -0.8420000     -0.4049000       1.670300    
 C    1.220600     -0.3659000     -0.5638000    
 C   0.4065000       3.885200       1.135700    
 C   0.7547000       3.931300      -1.352800    
 H  -0.5922000       1.196100      -1.810000    
 H   -2.938900      0.9842000     -0.7181000    
 H   -2.580700      0.8739000       1.642000    
 H  -0.9566000     -0.5146000       2.754700    
 H  -0.5248000      -1.390400       1.313100    
 H    1.561600     -0.1101000      -1.573500    
 H   0.6049000      -1.268300     -0.6210000    
 H   0.1099000       3.268100       1.991100    
 H    1.416500       4.255900       1.339200    
 H  -0.2870000       4.731700       1.095700    
 H   0.7322000       3.338700      -2.274400    
 H   5.9500001E-02   4.766400      -1.488200    
 H    1.772100       4.322400      -1.247100    
 H    5.195700      -1.001600       1.070600    
 H    4.274800      -2.103200       1.996900    


%chk=000005331-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005331

0 1
S -3.845524 -1.629347 -0.309811
S 3.795954 -1.011939 -0.320833
O -0.589777 2.349736 -0.306646
O 1.474646 1.264745 0.114106
O 0.054375 0.080056 1.513065
O -2.361365 -0.754007 -1.140378
O -3.652786 -0.503580 1.228902
O 2.059357 -1.650400 0.212745
O -3.396499 -3.141393 -0.046860
O -5.241366 -1.282554 -1.004216
O 4.808447 -2.195957 0.059173
O 3.632152 -0.428795 -1.816081
N 4.088759 0.338446 0.794185
C -0.694869 0.940776 -0.718561
C 0.436720 0.250127 0.100717
C -2.134971 0.502570 -0.403043
C -2.364484 0.196528 1.109339
C 0.849040 2.635236 -0.060783
C -1.216071 -0.638052 1.707398
C 0.976046 -1.040742 -0.549132
C 0.954016 3.431381 1.234906
C 1.503912 3.270939 -1.286405
H -0.505056 0.827217 -1.804083
H -2.838500 1.281490 -0.750626
H -2.501758 1.153083 1.644592
H -1.331764 -0.732823 2.797033
H -1.185660 -1.652886 1.263930
H 1.303686 -0.816328 -1.584924
H 0.184836 -1.811269 -0.592506
H 0.547905 2.838469 2.069312
H 2.006842 3.685901 1.445634
H 0.381365 4.370252 1.141966
H 1.317884 2.664510 -2.188179
H 1.099764 4.284785 -1.445680
H 2.595374 3.341349 -1.140672
H 3.247189 0.950377 0.790338
H 4.389283 -0.018401 1.712977


