%chk=000177209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177209

0 1
 S    3.042400      0.2675000     -0.3569000    
 O    1.973500      9.6400000E-02  0.8796000    
 O    4.499000      8.3600000E-02  0.3566000    
 O    2.862500     -0.8273000      -1.292500    
 O    2.958600       1.639500     -0.8230000    
 O   -4.092100       1.236500     -0.2452000    
 O   -4.065500     -0.9436000     -0.5015000    
 N   0.6658000      -2.330700      0.3171000    
 N   -3.483500      0.1392000     -0.2502000    
 C   0.6393000      9.0499997E-02  0.6014000    
 C  -2.8700000E-02  -1.101300      0.3199000    
 C   -2.092900      0.1225000      3.6899999E-02
 C   -1.394700      -1.085300      3.7900001E-02
 C  -5.8699999E-02   1.298200      0.6011000    
 C   -1.424800       1.314200      0.3187000    
 H   -1.894800      -2.026800     -0.1789000    
 H   0.4542000       2.230400      0.8220000    
 H   -1.936000       2.273500      0.3278000    
 H   0.1747000      -3.190800      0.1129000    
 H    1.654800      -2.350700      0.5275000    
 H    4.625700      0.5917000       1.192000    


%chk=000177209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177209

0 1
S 3.834329 0.354675 -0.106096
O 1.408087 0.963426 1.580358
O 5.396889 -0.273826 -0.841423
O 3.541550 -1.242836 0.709026
O 2.712274 0.456568 -1.267827
O -4.489511 0.727887 -0.613790
O -3.816494 -1.370247 -1.216566
N 0.943397 -1.600538 0.561720
N -3.617463 -0.219910 -0.674416
C 0.266428 0.680498 1.110909
C -0.013935 -0.695391 0.489339
C -2.277506 0.046576 -0.065084
C -1.322781 -0.938249 -0.123594
C -0.848421 1.644583 1.122341
C -2.064168 1.348944 0.557916
H -1.544211 -1.893114 -0.613425
H -0.647220 2.615757 1.584193
H -2.892663 2.062365 0.546819
H 0.712740 -2.512523 0.118244
H 2.500121 -1.356974 0.830028
H 5.297359 -1.270472 -0.885470


