%chk=000060996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060996

0 1
 S   -4.909400       1.521200     -7.5199999E-02
 S    6.133400      0.3670000     -0.2180000    
 O   -5.404600       1.628700       1.477800    
 O   -4.094900       2.694800     -0.3464000    
 O   -6.064200       1.208200     -0.8998000    
 O    6.754800      0.5229000       1.286400    
 O    6.688600     -0.8551000     -0.7816000    
 O    6.291300       1.639200     -0.9055000    
 N  -0.2591000     -0.5881000     -0.5368000    
 N   -5.750500      -1.394800      0.2082000    
 N   0.3103000     -0.4585000      0.5723000    
 C   -3.860800      0.1195000     -0.1220000    
 C   -4.368600      -1.171900      2.0400001E-02
 C   -2.492000      0.3140000     -0.3070000    
 C   -1.638000     -0.7837000     -0.3487000    
 C    4.420700      0.1237000      1.6200000E-02
 C   -3.507800      -2.268500     -2.2299999E-02
 C   -2.138900      -2.074000     -0.2073000    
 C    1.682700     -0.2640000      0.3856000    
 C    3.560300       1.220900      5.8699999E-02
 C    3.912000      -1.167300      0.1585000    
 C    2.191400       1.026900      0.2433000    
 C    2.543100      -1.361100      0.3432000    
 H   -2.071200       1.309400     -0.4192000    
 H   -3.889900      -3.280300      8.6900003E-02
 H   -1.475300      -2.934000     -0.2404000    
 H    3.933900       2.236000     -4.1999999E-02
 H    4.564000      -2.036000      0.1356000    
 H    1.529100       1.888200      0.2776000    
 H    2.156500      -2.370700      0.4555000    
 H   -6.400800     -0.6237000      0.2620000    
 H   -6.094700      -2.340400      0.3125000    
 H   -4.688900       1.770500       2.141300    
 H    6.646000     -0.2628000       1.872200    


%chk=000060996-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060996

0 1
S -4.790467 0.587137 1.855447
S 6.354890 -0.044025 0.351801
O -4.859555 -0.997027 2.821191
O -3.886488 1.649280 2.665460
O -6.321528 0.981931 1.447536
O 6.558364 1.555330 -0.574838
O 6.874031 0.168175 1.869175
O 6.948445 -1.240734 -0.562266
N -0.323102 -0.626935 -0.699315
N -5.992748 -0.677666 -0.785139
N 0.286230 -0.070419 0.319701
C -3.881782 -0.111359 0.371323
C -4.622511 -0.670677 -0.726085
C -2.492346 -0.065691 0.440238
C -1.737901 -0.607564 -0.637251
C 4.485713 -0.052944 0.301114
C -3.825968 -1.219362 -1.787299
C -2.431911 -1.190646 -1.738186
C 1.715326 -0.103783 0.240800
C 3.860193 -0.667166 -0.800659
C 3.797163 0.535791 1.373916
C 2.455384 -0.692887 -0.826109
C 2.389060 0.501948 1.335294
H -1.968330 0.380295 1.293006
H -4.339296 -1.661097 -2.648268
H -1.835026 -1.609677 -2.554435
H 4.459210 -1.120130 -1.596810
H 4.341495 0.987162 2.208699
H 1.911645 -1.156124 -1.653887
H 1.789835 0.940783 2.138501
H -6.540597 -0.184698 -0.065856
H -6.464289 -1.096816 -1.583460
H -5.245521 -0.787657 3.721947
H 7.540882 1.723452 -0.673287


