%chk=000041841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041841

0 1
 S    4.213300      6.6799998E-02  0.2236000    
 O    1.585100       1.709100      0.5589000    
 O    4.993700      -1.094600      0.6188000    
 O    4.347200       1.327700      0.9349000    
 O   -5.459600      0.6966000      5.2999998E-03
 O   -4.693900      -1.328500      0.3935000    
 N    2.580500     -0.3556000      0.1206000    
 N   0.3302000     -0.1880000     -0.1522000    
 N   -2.077800     -0.4448000      4.8300002E-02
 N   -1.322400       1.587300     -0.4337000    
 N   -4.493100     -0.1103000      0.1208000    
 C    2.207600      -1.636600     -0.5072000    
 C   0.6842000      -1.585400     -0.4093000    
 C    1.468400      0.5440000      0.2139000    
 C  -0.9772000      0.3386000     -0.1859000    
 C    4.557200      0.3823000      -1.491900    
 C   -3.184000      0.3506000     -5.6299999E-02
 C   -2.066700      -1.859300      0.3516000    
 C   -2.692500       1.599900     -0.3537000    
 H    2.622000      -2.498600      2.1600001E-02
 H    2.514100      -1.655300      -1.556500    
 H   0.2111000      -1.955000      -1.323200    
 H   0.4326000      -2.207500      0.4488000    
 H    5.582300      0.7539000      -1.562400    
 H    4.468600     -0.5430000      -2.062100    
 H    3.867400       1.143500      -1.861000    
 H   -1.898900      -2.426500     -0.5649000    
 H   -1.309600      -2.031600       1.116100    
 H   -2.946200      -2.231000      0.8599000    
 H   -3.249600       2.511800     -0.5161000    


%chk=000041841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041841

0 1
S 4.044753 -0.576131 0.248081
O 1.151627 0.831232 0.485889
O 5.145373 -1.329777 -0.671079
O 3.759882 -1.086228 1.758511
O -5.397087 0.658277 0.037433
O -4.030419 0.838403 1.871672
N 2.459525 -0.693367 -0.808208
N 0.205450 -0.929330 -0.846840
N -1.854778 -0.199950 0.287232
N -1.906366 -0.567316 -1.976789
N -4.245887 0.544209 0.622319
C 2.222392 -1.976740 -1.523095
C 0.728773 -1.820702 -1.923358
C 1.263373 -0.157349 -0.283467
C -1.138878 -0.557322 -0.846760
C 4.282447 1.310494 0.226301
C -3.159992 0.068871 -0.179270
C -1.364798 -0.241547 1.682964
C -3.165369 -0.181226 -1.562912
H 2.373019 -2.845205 -0.853735
H 2.886001 -2.069969 -2.394101
H 0.614863 -1.328565 -2.904723
H 0.185009 -2.777284 -1.936183
H 5.163999 1.499768 0.854996
H 4.440628 1.574912 -0.827392
H 3.347198 1.717044 0.637246
H -2.179617 -0.567132 2.342967
H -0.523123 -0.949767 1.730376
H -1.011417 0.750348 1.999134
H -4.002580 -0.078151 -2.247007


