%chk=000126344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126344

0 1
 S   0.5862000      -1.085600     -5.3700000E-02
 O    3.666800      -1.406700     -0.8390000    
 O    3.995600      0.8111000      -1.184500    
 O   -5.063400      0.7256000     -9.1100000E-02
 N    3.539400       1.295500       1.481900    
 C    2.918300      0.1203000      0.8678000    
 C    1.409600      0.3355000      0.7337000    
 C   -1.116800     -0.5401000     -6.4499997E-02
 C    3.588700     -0.1017000     -0.4751000    
 C   -1.465000      0.6244000     -0.7430000    
 C   -2.085300      -1.282400      0.6051000    
 C   -2.793200       1.050400     -0.7517000    
 C   -3.413500     -0.8563000      0.5962000    
 C   -3.767300      0.3100000     -8.2199998E-02
 H    3.129900     -0.7425000       1.510800    
 H   0.9602000      0.4941000       1.720700    
 H    1.217000       1.228600      0.1286000    
 H  -0.7253000       1.211700      -1.280500    
 H   -1.827200      -2.193400       1.139000    
 H    4.525700       1.107700       1.659200    
 H    3.116000       1.469000       2.392900    
 H   -3.063400       1.958500      -1.283800    
 H   -4.163200      -1.441800       1.121700    
 H    4.089300      -1.517000      -1.717400    
 H   -5.599800      9.5600002E-02  0.4203000    


%chk=000126344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126344

0 1
S 0.471548 -1.531120 0.925116
O 3.779026 -0.672749 -1.281086
O 2.094380 0.925594 -1.223525
O -4.740696 1.009087 -0.879784
N 3.751700 0.966165 1.507022
C 2.909790 -0.086494 0.907559
C 1.510883 -0.058924 1.544405
C -1.099656 -0.708562 0.412847
C 2.824224 0.105103 -0.617738
C -1.115144 0.354145 -0.526277
C -2.315910 -1.211495 0.928159
C -2.340231 0.918946 -0.932391
C -3.548327 -0.663719 0.505958
C -3.555744 0.405692 -0.421195
H 3.391119 -1.059688 1.100683
H 1.609059 -0.134511 2.637588
H 0.967408 0.862403 1.277247
H -0.175893 0.734518 -0.942742
H -2.301823 -2.024873 1.660615
H 3.432246 1.922886 1.327256
H 4.759416 0.842581 1.381366
H -2.371589 1.741466 -1.652921
H -4.488995 -1.061806 0.908407
H 3.746862 -0.481564 -2.258435
H -5.534353 0.577417 -0.476735


