%chk=000101012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101012

0 1
 S    1.726000      0.9915000     -0.1932000    
 S  -0.9648000      -2.261400      0.1952000    
 O    2.995800      0.7788000     -0.8938000    
 O   0.8138000       2.022800     -0.6964000    
 O   -2.688600     -2.7799999E-02 -0.3313000    
 O   -1.321500       1.545100      0.6263000    
 N    2.077300       1.351400       1.445900    
 C   0.8897000     -0.5013000     -5.7999998E-02
 C  -0.4742000     -0.6239000      9.2000000E-02
 C    1.540500      -1.768500     -8.8799998E-02
 C   0.6494000      -2.811100      3.9000001E-02
 C   -1.472900      0.3941000      0.1701000    
 C   -3.770600      0.9102000     -0.3068000    
 H    2.607200      -1.919100     -0.1964000    
 H   0.8691000      -3.869300      4.8700001E-02
 H    2.870800       1.981400       1.619700    
 H    1.275800       1.550100       2.058500    
 H   -3.994400       1.199600      0.7241000    
 H   -4.651100      0.4253000     -0.7362000    
 H   -3.521500       1.788000     -0.9101000    


%chk=000101012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101012

0 1
S 1.975320 0.919917 -0.114320
S -1.010847 -2.428966 -0.160461
O 3.518571 0.426075 0.029616
O 1.532588 1.801467 -1.404924
O -2.734460 -0.029874 -0.152798
O -1.155601 1.559259 0.490333
N 1.536245 1.673828 1.473697
C 0.915203 -0.646195 -0.061659
C -0.473646 -0.704128 -0.039452
C 1.589372 -1.901028 -0.161183
C 0.695342 -2.961099 -0.217523
C -1.441460 0.386756 0.124806
C -3.794626 0.996737 0.008848
H 2.677341 -1.987452 -0.186209
H 0.915844 -4.024615 -0.291395
H 2.277039 2.334479 1.755013
H 0.578215 2.062444 1.389501
H -3.819628 1.354104 1.051677
H -4.725102 0.478625 -0.258294
H -3.599911 1.845564 -0.666772


