%chk=000095531.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095531

0 1
 S   1.5600000E-02   1.749400       1.007400    
 O   -1.376500      -1.867500      0.6445000    
 N   0.5750000      -1.041900     -0.1644000    
 C    1.680800     -7.2700001E-02 -0.2329000    
 C    1.190600       1.378400     -0.3171000    
 C   -1.232600      0.5058000      0.6071000    
 C    2.591900     -0.2838000      0.9926000    
 C    2.502600     -0.3756000      -1.499500    
 C  -0.6658000     -0.8849000      0.4031000    
 C   -2.053800      0.9143000     -0.6121000    
 C   -3.227800     -2.1700000E-02 -0.8286000    
 H    2.031300       2.076600     -0.2351000    
 H   0.7081000       1.582300      -1.278800    
 H   -1.888200      0.4574000       1.485100    
 H   0.8370000      -2.005600     -0.3508000    
 H    3.430000      0.4219000      0.9913000    
 H    2.049100     -0.1649000       1.936300    
 H    3.009800      -1.297800      0.9984000    
 H    1.885800     -0.2803000      -2.400800    
 H    3.352500      0.3091000      -1.596600    
 H    2.895100      -1.399100      -1.484800    
 H   -1.449500      0.9199000      -1.526500    
 H   -2.447800       1.929300     -0.4755000    
 H   -2.909200      -1.005700      -1.184300    
 H   -3.816000     -0.1493000      8.5900001E-02
 H   -3.892600      0.3912000      -1.595100    


%chk=000095531-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095531

0 1
S 0.016749 1.755362 1.098986
O -1.364537 -1.982004 0.551306
N 0.636526 -1.057026 -0.120600
C 1.762539 -0.076826 -0.220352
C 1.209875 1.361523 -0.302821
C -1.274650 0.442683 0.602918
C 2.696440 -0.247475 1.007897
C 2.539652 -0.388854 -1.526918
C -0.655820 -0.939477 0.369614
C -2.130098 0.916550 -0.606493
C -3.363987 0.026854 -0.880491
H 2.035081 2.086106 -0.210838
H 0.691634 1.532428 -1.261375
H -1.924405 0.345532 1.489751
H 0.907878 -2.038272 -0.257187
H 3.587880 0.399620 0.911479
H 2.161556 0.021782 1.934626
H 3.040390 -1.294599 1.090597
H 1.879786 -0.304040 -2.408332
H 3.386520 0.309891 -1.648037
H 2.953239 -1.414789 -1.500409
H -1.495125 0.964712 -1.512462
H -2.455545 1.951278 -0.389965
H -3.076175 -1.018758 -1.079601
H -4.045918 0.019673 -0.010517
H -3.924083 0.412926 -1.751975


