%chk=000003235.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003235

0 1
 S   0.6350000     -0.9768000      0.6960000    
 S    2.990500      -2.827400      0.9720000    
 O    2.696200       2.192900      0.1807000    
 O    4.144600     -0.4154000      -1.824500    
 O    6.289000     -0.2598000      -1.099700    
 N    3.054800     -0.1031000      0.5363000    
 C   0.8527000      0.7032000      0.4283000    
 C    2.291400       1.052100      0.3615000    
 C    4.514400     -6.1099999E-02  0.5146000    
 C   -1.568100       1.345800      0.3477000    
 C  -0.1262000       1.599600      0.2958000    
 C    2.367500      -1.295300      0.7321000    
 C   -2.051300      0.2334000     -0.2440000    
 C   -3.461000     -0.1680000     -0.2994000    
 C   -2.426600       2.347900       1.078300    
 C    5.086500     -0.2530000     -0.8664000    
 C   -3.988200     -0.9594000      0.7129000    
 C   -4.250800      0.2482000      -1.363100    
 C   -5.328700      -1.341500      0.6603000    
 C   -5.591400     -0.1338000      -1.415600    
 C   -6.130300     -0.9286000     -0.4038000    
 H    4.938500     -0.8162000       1.180700    
 H    4.831700      0.9297000      0.8583000    
 H   0.1302000       2.648000      0.1512000    
 H   -1.430400     -0.4148000     -0.8556000    
 H   -3.485900       2.078500       1.105200    
 H   -2.350700       3.329700      0.5983000    
 H   -2.088800       2.446100       2.115900    
 H   -3.374400      -1.288200       1.547600    
 H   -3.843500      0.8676000      -2.158100    
 H   -5.748400      -1.960400       1.448000    
 H   -6.215800      0.1876000      -2.244200    
 H   -7.174100      -1.226000     -0.4446000    
 H    4.541800     -0.5375000      -2.713000    


%chk=000003235-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003235

0 1
S 0.735558 -1.285886 -0.170301
S 3.351446 -2.881941 -0.682478
O 2.754131 1.881683 1.067660
O 4.397185 0.464440 -1.999768
O 6.508040 -0.110883 -1.205538
N 3.150150 -0.307493 0.273098
C 0.874679 0.420382 0.461531
C 2.296176 0.787340 0.640065
C 4.603040 -0.141564 0.342258
C -1.580187 1.208502 0.744158
C -0.127501 1.306711 0.799437
C 2.566889 -1.482768 -0.180988
C -2.211025 0.202024 0.021770
C -3.633805 -0.107584 -0.146163
C -2.327427 2.308938 1.487423
C 5.286302 0.043946 -1.013219
C -4.682558 0.326978 0.723841
C -3.992685 -0.948158 -1.247769
C -6.020868 -0.043009 0.481856
C -5.330803 -1.307396 -1.493370
C -6.355857 -0.851895 -0.629721
H 5.067271 -1.012888 0.831351
H 4.790950 0.765329 0.947772
H 0.273261 2.246630 1.209952
H -1.561471 -0.450205 -0.578498
H -3.237496 2.624034 0.949058
H -1.683010 3.195848 1.614853
H -2.630060 1.983203 2.501615
H -4.451627 0.920212 1.610783
H -3.202524 -1.310427 -1.917013
H -6.806461 0.293420 1.167525
H -5.576535 -1.944697 -2.349612
H -7.398463 -1.133353 -0.813302
H 4.885486 0.584528 -2.858566


