%chk=000163333.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163333

0 1
 S   -3.349700      0.3009000     -0.2005000    
 O   -3.755500       1.505400     -0.9006000    
 O   -3.811000      2.7000001E-02   1.148000    
 N   -1.658500      0.1633000     -0.2540000    
 C  -0.9616000     -0.6435000      0.7590000    
 C  -0.8398000      0.8563000      0.7519000    
 C   0.2380000      -1.457900      0.3597000    
 C   0.4752000       1.462600      0.3460000    
 C    1.473400     -0.8429000      7.7000000E-03
 C    1.594900      0.6529000      7.9999998E-04
 C   0.1340000      -2.864300      0.3414000    
 C   0.5997000       2.867000      0.3145000    
 C   -3.794400      -1.088200      -1.215100    
 C    2.547700      -1.690300     -0.3390000    
 C    2.791700       1.312500     -0.3530000    
 C    1.212100      -3.670200     -7.1999999E-03
 C    1.793500       3.485000     -4.0800001E-02
 C    2.419900      -3.081900     -0.3457000    
 C    2.890200       2.706300     -0.3732000    
 H   -1.610700      -1.066500       1.518500    
 H   -1.429200       1.390200       1.491500    
 H  -0.8097000      -3.337000      0.6071000    
 H  -0.2548000       3.488600      0.5755000    
 H   -3.368100     -0.9519000      -2.210700    
 H   -3.422400      -2.003400     -0.7506000    
 H   -4.884000      -1.123200      -1.280400    
 H    3.519900      -1.294700     -0.6179000    
 H    3.687000      0.7626000     -0.6274000    
 H    1.107800      -4.750600     -1.2600000E-02
 H    1.865000       4.568000     -5.6299999E-02
 H    3.269100      -3.701700     -0.6191000    
 H    3.828100       3.178300     -0.6518000    


%chk=000163333-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163333

0 1
S -3.474052 -0.077490 0.008803
O -3.877756 1.406976 0.558338
O -3.931193 -1.401837 0.847878
N -1.538853 -0.149925 -0.328732
C -0.841767 -0.784788 0.911939
C -0.813037 0.714595 0.746179
C 0.381672 -1.568378 0.598553
C 0.437255 1.364436 0.273803
C 1.533966 -0.917191 0.053220
C 1.562024 0.567034 -0.111271
C 0.385197 -2.962819 0.836863
C 0.493980 2.776101 0.201678
C -4.028655 -0.252878 -1.796095
C 2.657219 -1.729370 -0.265284
C 2.713494 1.247300 -0.595146
C 1.511493 -3.746841 0.516938
C 1.647523 3.428470 -0.277246
C 2.648578 -3.121101 -0.045601
C 2.757903 2.652710 -0.684927
H -1.538022 -1.220238 1.640440
H -1.489634 1.324392 1.359009
H -0.509474 -3.431798 1.262537
H -0.380712 3.359911 0.511126
H -3.588622 0.599128 -2.330186
H -3.627061 -1.214031 -2.141982
H -5.126661 -0.227950 -1.780410
H 3.560530 -1.278889 -0.686465
H 3.597523 0.682149 -0.904035
H 1.503795 -4.826999 0.696358
H 1.681123 4.521264 -0.338000
H 3.530069 -3.716831 -0.306499
H 3.659954 3.143589 -1.066083


