%chk=000066623.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066623

0 1
 S    2.101300      0.2841000      8.3099999E-02
 O    2.581300     -0.2150000      -1.396500    
 O    2.481000       1.682500      0.2064000    
 O    2.543500     -0.6972000       1.059400    
 N   0.3892000      -2.237800      1.0900000E-02
 N   -3.845700      0.1203000     -4.6500001E-02
 C   0.3525000      0.2057000      4.4599999E-02
 C  -0.3195000      -1.016100      1.2700000E-02
 C  -0.3697000       1.399000      4.5800000E-02
 C   -1.713800      -1.044700     -1.8100001E-02
 C   -2.436000      0.1487000     -1.6899999E-02
 C   -1.764000       1.370500      1.5200000E-02
 H   0.1212000       2.367300      6.7699999E-02
 H   -2.239500      -1.997100     -4.2900000E-02
 H   -2.315700       2.307100      1.6100001E-02
 H  -0.1202000      -3.111500     -1.4900000E-02
 H    1.399200      -2.254800      1.6300000E-02
 H   -4.369400      0.9855000     -4.7800001E-02
 H   -4.333900     -0.7649000     -7.1999997E-02
 H    2.275200      0.3417000      -2.150800    


%chk=000066623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066623

0 1
S 2.088208 0.335540 -0.002973
O 2.332307 0.305107 -1.859999
O 2.587465 1.782626 0.520973
O 2.801987 -1.014567 0.582172
N 0.330493 -2.281411 0.169979
N -3.924970 0.088662 -0.043691
C 0.270329 0.185580 0.046639
C -0.372996 -1.097823 0.088140
C -0.457444 1.394913 -0.028901
C -1.796346 -1.090489 0.060767
C -2.537006 0.114159 -0.014421
C -1.852040 1.374223 -0.049021
H 0.089998 2.342968 -0.055015
H -2.323824 -2.051382 0.104278
H -2.419861 2.308733 -0.098048
H -0.166596 -3.167394 0.189316
H 1.349820 -2.259072 0.299852
H -4.458023 0.952202 -0.090831
H -4.435968 -0.789224 -0.022808
H 3.311468 0.439950 -2.024607