%chk=000158980.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158980

0 1
 S   -2.754000     -0.6432000      9.3999997E-02
 O    2.646800      -1.379100      0.7445000    
 O   -2.832400     -0.7341000      -1.397700    
 O    3.297500      0.1364000     -0.8213000    
 N    1.209300       1.745700     -0.3161000    
 C  -1.4700000E-02 -0.3344000      0.1096000    
 C    1.235200      0.4906000      0.4363000    
 C   -1.305100      0.3858000      0.4911000    
 C    2.496000     -0.2388000      2.2900000E-02
 C   -3.978500      0.5712000      0.6367000    
 H   3.2900002E-02  -1.294400      0.6405000    
 H  -2.6100000E-02 -0.5896000     -0.9592000    
 H    1.294000      0.7184000       1.505900    
 H   -1.323000      0.5935000       1.565900    
 H   -1.410200       1.329600     -5.2700002E-02
 H    1.187300       1.556100      -1.317400    
 H    2.060100       2.277100     -0.1369000    
 H   -3.857200      0.7601000       1.705800    
 H   -4.976000      0.1646000      0.4537000    
 H   -3.859000       1.500800      7.5199999E-02
 H    3.465200      -1.861400      0.4997000    


%chk=000158980-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158980

0 1
S -2.760970 -0.403736 0.052103
O 2.904769 -0.818792 0.552533
O -1.971507 -0.620434 -1.427155
O 2.695480 0.452494 -1.379992
N 0.043118 1.281317 -0.625168
C 0.027763 -0.801635 0.718241
C 0.836975 0.452561 0.285421
C -1.292110 -0.456271 1.406389
C 2.204012 0.045665 -0.306682
C -3.103346 1.478632 0.130601
H 0.649932 -1.413430 1.393477
H -0.184735 -1.406297 -0.189395
H 1.089925 1.028422 1.203575
H -1.628531 -1.232958 2.112447
H -1.302253 0.538250 1.879807
H -0.537453 0.701677 -1.265238
H 0.597208 1.989578 -1.119233
H -3.556865 1.708854 1.107971
H -3.799626 1.692012 -0.693348
H -2.121097 1.961024 -0.015994
H 3.797412 -1.022032 0.160141


