%chk=000126122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126122

0 1
 S   -3.777100      -1.481400     -0.2724000    
 O    3.896600      -1.585800     -0.6061000    
 O    3.035800     -0.7376000       1.314200    
 N   0.7581000      0.2103000      6.5499999E-02
 N    1.234300       1.435000      0.4758000    
 N  -0.4858000       2.105000     -0.5769000    
 N   0.4816000       2.504100      0.1235000    
 C  -0.3779000      0.6364000     -0.7503000    
 C   -1.627600     -6.3000001E-02 -0.2921000    
 C    1.768000     -0.4949000     -0.7177000    
 C   -2.128900     -1.5400000E-02   1.044600    
 C   -2.433600     -0.8298000      -1.110700    
 C    2.946200     -0.9408000      0.1095000    
 C   -3.289700     -0.7421000       1.193200    
 H  -0.2174000      0.4483000      -1.820800    
 H    2.148100      0.1274000      -1.538400    
 H    1.322500      -1.402500      -1.142600    
 H    2.018400       1.553900       1.104900    
 H   -1.667200      0.5253000       1.861300    
 H   -2.299600      -1.040100      -2.162800    
 H   -3.875200     -0.8736000       2.092200    
 H    4.652000      -1.864700     -4.6000000E-02


%chk=000126122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126122

0 1
S -3.872765 -1.461412 -0.371079
O 3.647194 -1.938288 -0.321456
O 3.300933 -0.232430 1.219268
N 0.812371 0.379943 0.016724
N 1.457060 1.708142 0.205578
N -0.587795 2.245759 -0.530284
N 0.491945 2.699055 0.035544
C -0.422886 0.724362 -0.776829
C -1.629405 -0.062394 -0.339392
C 1.717308 -0.564161 -0.659247
C -1.990091 -0.269042 1.047942
C -2.529294 -0.640218 -1.222355
C 2.938125 -0.857763 0.200714
C -3.154381 -0.994787 1.210685
H -0.263444 0.604291 -1.875949
H 2.074300 -0.197165 -1.650839
H 1.171878 -1.509164 -0.827560
H 2.020626 1.769854 1.065882
H -1.386816 0.105185 1.877501
H -2.517119 -0.631858 -2.311657
H -3.656729 -1.296998 2.127475
H 4.460585 -2.106910 0.227235


