%chk=000121708.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121708

0 1
 S   0.9034000     -0.8414000      -2.529500    
 O  -0.6621000       2.318500      -1.303800    
 N  -0.7226000       2.657600      0.9634000    
 C  -0.6056000     -0.5655000      0.2136000    
 C   0.8365000     -0.4148000      0.2380000    
 C   -1.444000      0.5318000      1.6600000E-02
 C   -1.150900      -1.837000      0.3907000    
 C    1.614400     -0.5166000     -0.9164000    
 C    1.445900     -0.1602000       1.467300    
 C   -2.827800      0.3575000     -3.1000001E-03
 C   -2.534700      -2.011400      0.3709000    
 C   -3.373200     -0.9140000      0.1742000    
 C    2.998800     -0.3644000     -0.8413000    
 C    2.830400     -7.7999998E-03   1.542400    
 C  -0.9153000       1.877900     -0.1711000    
 C    3.606800     -0.1101000      0.3880000    
 H  -0.5132000      -2.704400      0.5453000    
 H   0.8584000     -7.6600000E-02   2.379000    
 H   -3.492500       1.204100     -0.1557000    
 H   -2.959500      -3.001400      0.5087000    
 H   -4.450600      -1.049900      0.1588000    
 H    3.627300     -0.4368000      -1.725600    
 H    3.304000      0.1906000       2.499400    
 H    4.684700      9.1000004E-03  0.4467000    
 H    2.015400      -1.312600      -3.113200    
 H  -0.9301000       2.313600       1.895700    
 H  -0.3624000       3.603300      0.8917000    


%chk=000121708-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121708

0 1
S 0.955852 -1.571195 -2.438141
O 0.010434 2.397405 -0.615628
N -1.399646 2.868161 1.166498
C -0.549460 -0.539457 0.120718
C 0.944029 -0.418743 0.138673
C -1.404904 0.595172 0.255219
C -1.141207 -1.827508 0.051527
C 1.761776 -0.881629 -0.930265
C 1.581372 0.135515 1.279391
C -2.811361 0.414776 0.319708
C -2.540973 -1.999422 0.108640
C -3.382802 -0.873312 0.245291
C 3.171325 -0.782753 -0.844791
C 2.984170 0.238868 1.367558
C -0.853827 2.005220 0.220950
C 3.782218 -0.223740 0.297512
H -0.488433 -2.702608 -0.035920
H 0.954854 0.485006 2.108231
H -3.463545 1.293756 0.380630
H -2.969335 -3.005831 0.049924
H -4.470822 -0.994839 0.281129
H 3.797918 -1.134068 -1.673062
H 3.448696 0.673787 2.258643
H 4.874245 -0.150759 0.345826
H 2.120511 -1.647125 -3.184942
H -2.029315 2.541367 1.897131
H -1.100269 3.843055 1.160249


