%chk=000078858.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078858

0 1
 S    1.526200      0.4767000     -0.3271000    
 O    1.984000     -0.1714000      -1.549500    
 O    1.776400       1.899400     -0.1376000    
 N    2.163300     -0.3723000       1.012500    
 C  -0.1911000      0.2107000     -0.1591000    
 C  -0.9656000       1.102600      0.5827000    
 C  -0.7884000     -0.8944000     -0.7653000    
 C   -2.337500      0.8894000      0.7183000    
 C   -2.160200      -1.107600     -0.6299000    
 C   -2.934700     -0.2157000      0.1120000    
 C    1.927700      -1.817300       1.142900    
 H  -0.5210000       1.965800       1.069900    
 H  -0.2043000      -1.604200      -1.344200    
 H    2.307800      0.1396000       1.891600    
 H   -2.940400       1.582600       1.297500    
 H   -2.625300      -1.968800      -1.100900    
 H   -4.002700     -0.3821000      0.2181000    
 H    2.736100      -2.253000       1.737100    
 H    1.921500      -2.312400      0.1689000    
 H   0.9830000      -1.998100       1.661600    


%chk=000078858-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078858

0 1
S 1.543241 0.424362 -0.280328
O 2.023319 -0.427950 -1.576846
O 1.848887 2.002030 -0.048921
N 2.334304 -0.408808 1.148437
C -0.344205 0.191965 -0.140292
C -1.074688 1.163812 0.564272
C -0.922835 -0.924707 -0.765888
C -2.474223 0.985889 0.663862
C -2.324012 -1.085752 -0.651951
C -3.092662 -0.137491 0.063981
C 2.236291 -1.878633 1.187441
H -0.569923 2.038914 0.987297
H -0.304798 -1.619502 -1.344075
H 2.102462 0.114206 2.006262
H -3.077851 1.726354 1.198980
H -2.811374 -1.942220 -1.129347
H -4.177548 -0.266170 0.142972
H 2.998852 -2.244790 1.897426
H 2.498903 -2.266681 0.188754
H 1.242660 -2.275326 1.487463


