%chk=000078379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078379

0 1
 S   -4.580800     -0.7692000     -0.8985000    
 S   -2.585500      -2.724300      0.1895000    
 O   -2.678200       2.354900      0.2682000    
 O    6.226100      1.3000000E-02  0.3557000    
 O    4.994200      7.4299999E-02  -1.551200    
 N   -2.440800      2.4200000E-02  0.3428000    
 C  -5.1000002E-03 -2.2100000E-02  9.6000001E-02
 C    1.350500     -2.9400000E-02  0.8063000    
 C   -1.190900      1.3000000E-03   1.053800    
 C    2.540200     -2.1700000E-02 -0.1555000    
 C    3.866500     -1.5600000E-02  0.6045000    
 C   -3.085200       1.225900      7.1000000E-03
 C   -4.375500       1.008200     -0.7317000    
 C   -3.088900      -1.148800     -5.6699999E-02
 C    5.053300      2.9400000E-02 -0.3303000    
 H  -6.6100001E-02 -0.8975000     -0.5614000    
 H  -5.6800000E-02  0.8543000     -0.5633000    
 H    1.411800     -0.9151000       1.450800    
 H    1.413300      0.8463000       1.464300    
 H   -1.127400      0.9036000       1.674000    
 H   -1.147100     -0.8514000       1.738700    
 H    2.491800     -0.9001000     -0.8108000    
 H    2.480800      0.8604000     -0.8051000    
 H    3.917200      0.8626000       1.257700    
 H    3.947300     -0.9212000       1.215900    
 H   -5.202500       1.433600     -0.1577000    
 H   -4.317000       1.477500      -1.716900    
 H    7.001100      4.1499998E-02 -0.2450000    


%chk=000078379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078379

0 1
S -4.686054 -0.852863 -0.915751
S -2.538087 -2.753176 0.230459
O -2.660883 2.353144 0.302509
O 6.298653 -0.053469 0.402222
O 5.091786 0.051952 -1.578167
N -2.495487 0.002987 0.335669
C 0.002410 0.019863 0.056739
C 1.351291 0.002914 0.809034
C -1.187883 0.023421 1.039257
C 2.556406 0.009400 -0.156032
C 3.899477 -0.017432 0.596922
C -3.132066 1.226524 0.012713
C -4.452277 1.009690 -0.721752
C -3.109898 -1.196231 -0.049173
C 5.099548 -0.000984 -0.329298
H -0.068777 -0.868746 -0.598731
H -0.053039 0.917756 -0.588256
H 1.399349 -0.896790 1.457144
H 1.410338 0.883124 1.482765
H -1.176889 0.939643 1.655657
H -1.155128 -0.867074 1.691490
H 2.498874 -0.862119 -0.835556
H 2.516376 0.905592 -0.803872
H 3.990668 0.848370 1.282388
H 3.980304 -0.915265 1.240680
H -5.282247 1.433400 -0.135195
H -4.417468 1.490747 -1.711528
H 7.067003 -0.039776 -0.231138


