%chk=000124146.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124146

1 1
 S   0.8729000     -0.2593000       1.884600    
 O   -4.558100      -1.231900      -1.004300    
 O   -5.491000      0.8238000      -1.539600    
 N   -2.982600     -0.3474000      0.5016000    
 N   -3.438600      -1.587100     -0.1228000    
 C   -1.880000     -0.3587000       1.462900    
 C  -0.5464000     -0.2274000      0.7431000    
 C    2.240600     -8.8500001E-02  0.7452000    
 C    2.839600      -1.222900      0.1881000    
 C    2.720200       1.180500      0.4051000    
 C   -3.674600      0.6139000      1.9200001E-02
 C    4.381200      0.1784000      -1.035200    
 C    3.907200      -1.089700     -0.6997000    
 C    3.787800       1.313600     -0.4829000    
 C    2.373700      -2.606800      0.5125000    
 C    2.122500       2.431500      0.9667000    
 C   -4.701300      0.1205000     -0.9496000    
 C   -3.496400       2.036600      0.3889000    
 C    5.523200      0.3209000      -1.983700    
 H   -2.035800      0.4665000       2.166900    
 H   -1.941700      -1.295800       2.028500    
 H  -0.4254000      -1.043500      2.1400001E-02
 H  -0.5128000      0.7081000      0.1736000    
 H    4.376300      -1.970000      -1.133100    
 H    4.164100       2.298800     -0.7480000    
 H   -2.744300      -1.903100     -0.7995000    
 H    2.441000      -2.798900       1.588500    
 H    1.344900      -2.762000      0.1728000    
 H    2.988500      -3.368700      1.9600000E-02
 H    2.180500       2.434600       2.060200    
 H    2.654200       3.326000      0.6225000    
 H    1.080300       2.541800      0.6513000    
 H   -3.897500       2.681500     -0.3979000    
 H   -2.440500       2.285100      0.5250000    
 H   -4.036700       2.241000       1.317800    
 H    6.469800      0.3217000      -1.434300    
 H    5.539400     -0.4992000      -2.709600    
 H    5.448400       1.252200      -2.555500    


%chk=000124146-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124146

1 1
S 1.056543 -1.257156 2.381270
O -4.620691 0.072402 0.066555
O -4.329751 0.365652 -2.286796
N -2.399056 0.223360 0.628877
N -3.707310 0.181468 1.177697
C -1.227275 0.132771 1.541298
C -0.682574 -1.318914 1.649007
C 1.916478 -0.402645 0.976466
C 2.134124 -1.089871 -0.259217
C 2.416225 0.920533 1.195713
C -2.415545 0.372565 -0.702734
C 3.293530 0.925796 -1.125842
C 2.810298 -0.395145 -1.293257
C 3.085802 1.560934 0.125560
C 1.713318 -2.531064 -0.496429
C 2.287937 1.636311 2.529523
C -3.812791 0.288561 -1.179198
C -1.243538 0.643486 -1.578701
C 4.061927 1.621272 -2.230949
H -0.445214 0.790907 1.122332
H -1.534493 0.528728 2.523412
H -1.277008 -1.946781 2.333231
H -0.631236 -1.799663 0.659226
H 2.993804 -0.916155 -2.241064
H 3.472156 2.575407 0.280359
H -3.874999 -0.595571 1.846333
H 1.617044 -3.092309 0.447886
H 0.748454 -2.604819 -1.038454
H 2.459147 -3.048146 -1.123348
H 2.923028 1.159157 3.298633
H 2.606903 2.687652 2.440967
H 1.257263 1.616766 2.927918
H -1.478003 0.324098 -2.607235
H -0.317576 0.146675 -1.240878
H -1.040015 1.732822 -1.621168
H 5.149167 1.447816 -2.114047
H 3.779571 1.245414 -3.229006
H 3.906957 2.713786 -2.213642


