%chk=000090061.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090061

0 1
 S    2.405700     -7.5300001E-02  0.4437000    
 O    3.111400       1.061800       1.017100    
 O    2.453300      -1.367900       1.113200    
 O   -2.233000      -2.438100      0.1073000    
 O   -3.784600     -0.9129000     -0.1850000    
 N   -2.586200      -1.243100     -2.5300000E-02
 N   -3.274900       1.518100     -0.3185000    
 C   0.7361000      0.3850000      0.2207000    
 C    3.019400     -0.3237000      -1.207000    
 C  -0.2581000     -0.5929000      0.1851000    
 C   0.3964000       1.730300      7.8299999E-02
 C   -1.591800     -0.2255000      7.0000002E-03
 C    4.475100     -0.7337000      -1.201600    
 C   -1.931600       1.119900     -0.1354000    
 C  -0.9373000       2.097800     -9.9600002E-02
 H    2.407600      -1.099700      -1.676800    
 H    2.890600      0.6146000      -1.754700    
 H   2.6500000E-02  -1.636700      0.2902000    
 H    1.154700       2.508100      9.5700003E-02
 H    4.833200     -0.8785000      -2.225500    
 H    5.099900      2.9999999E-02 -0.7275000    
 H    4.621300      -1.670700     -0.6548000    
 H   -1.187600       3.149900     -0.2110000    
 H   -4.031600      0.8521000     -0.3493000    
 H   -3.488600       2.502400     -0.4172000    


%chk=000090061-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090061

0 1
S 2.454633 -0.050208 0.422045
O 3.209060 1.298246 0.974270
O 2.474652 -1.468552 1.240695
O -2.245700 -2.506090 0.019694
O -3.927349 -0.982174 -0.168175
N -2.656337 -1.286558 -0.053898
N -3.369153 1.583985 -0.247751
C 0.648546 0.426076 0.149744
C 3.175447 -0.413082 -1.354717
C -0.314773 -0.576232 0.128427
C 0.323384 1.801932 0.074364
C -1.675157 -0.203542 -0.015810
C 4.643217 -0.796245 -1.197378
C -2.065484 1.184721 -0.114025
C -1.016861 2.167287 -0.057691
H 2.534404 -1.223521 -1.736914
H 3.008290 0.527871 -1.902975
H -0.055305 -1.633246 0.247249
H 1.118333 2.551590 0.153198
H 5.074277 -1.008837 -2.193044
H 5.220979 0.024105 -0.738122
H 4.751863 -1.700205 -0.573907
H -1.292162 3.226354 -0.112415
H -4.092370 0.854275 -0.266586
H -3.600538 2.573352 -0.307177


