%chk=000117983.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117983

0 1
 S   -2.601000     -0.7526000     -0.5723000    
 S   0.1971000      -1.925000     -0.1121000    
 O   -3.061800      -1.948000      0.2372000    
 N   -3.004800      0.7363000      0.1117000    
 N  -0.2430000      0.6041000     -0.3618000    
 C    1.556200     -0.8687000     -1.1000000E-02
 C    1.122100      0.4510000     -0.1685000    
 C  -0.8234000     -0.5732000     -0.3502000    
 C    2.908900      -1.185100      0.1928000    
 C    2.077900       1.489000     -0.1196000    
 C   -2.618000      0.9769000       1.505200    
 C   -2.770500       1.953300     -0.6714000    
 C    3.834200     -0.1392000      0.2370000    
 C    3.426300       1.181200      8.2999997E-02
 H    3.234700      -2.213700      0.3139000    
 H    1.769800       2.523900     -0.2385000    
 H   -2.846500      0.1074000       2.132500    
 H   -3.204500       1.806800       1.917200    
 H   -1.561100       1.225400       1.639600    
 H   -1.754400       2.350100     -0.6043000    
 H   -3.447300       2.744600     -0.3272000    
 H   -3.007300       1.791700      -1.729500    
 H    4.886300     -0.3624000      0.3938000    
 H    4.160200       1.981600      0.1203000    


%chk=000117983-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117983

0 1
S -2.563159 -0.460860 -1.005029
S 0.048616 -1.599195 0.482863
O -2.922127 -1.866069 -0.213470
N -3.301867 0.893191 0.144741
N 0.077192 0.622817 -1.075362
C 1.595225 -0.668116 0.258255
C 1.399405 0.467570 -0.599637
C -0.702668 -0.324094 -0.621724
C 2.861399 -0.956369 0.806555
C 2.485449 1.320210 -0.909316
C -3.097669 0.534526 1.563354
C -2.820775 2.236404 -0.254346
C 3.934596 -0.095098 0.488514
C 3.748686 1.031020 -0.360605
H 3.017129 -1.820746 1.458917
H 2.323433 2.180022 -1.565862
H -3.228597 -0.559802 1.666007
H -3.887626 1.029295 2.157143
H -2.101035 0.829051 1.960874
H -1.761545 2.436468 0.017332
H -3.463915 2.980871 0.250009
H -2.938019 2.366900 -1.344556
H 4.927020 -0.301539 0.903125
H 4.600952 1.678943 -0.589982


