%chk=000164993.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164993

0 1
 S    2.272400     -0.3946000      -2.303300    
 P    2.392500     -0.4012000     -0.3567000    
 O    1.136800      -1.028100      0.4550000    
 O    2.592900       1.033800      0.3836000    
 O    3.629000      -1.251000      0.2766000    
 O   -4.498300       1.587500     -0.4312000    
 O   -5.102800     -0.4527000      0.1084000    
 N   -4.216400      0.4103000     -0.1011000    
 C  -0.1786000     -0.6746000      0.3187000    
 C    3.621500       1.909800     -4.5000002E-02
 C  -0.5088000      0.6256000     -4.8900001E-02
 C   -1.173800      -1.619000      0.5478000    
 C   -2.851800      4.3099999E-02  3.9299998E-02
 C   -1.849200      0.9856000     -0.1890000    
 C   -2.514200      -1.259200      0.4076000    
 C    3.598500       3.147800      0.7839000    
 C    3.650400      -2.663200      0.1543000    
 H    4.586300       1.401900      5.0500002E-02
 H    3.466900       2.169800      -1.096200    
 H   0.2419000       1.386700     -0.2267000    
 H  -0.9145000      -2.634300      0.8344000    
 H   -2.075400       2.009600     -0.4754000    
 H   -3.268300      -2.019600      0.5937000    
 H    4.382700       3.845300      0.4759000    
 H    2.630500       3.654000      0.7031000    
 H    3.740100       2.910500       1.843800    
 H    4.536100      -3.043600      0.6692000    
 H    3.703300      -2.950800     -0.8984000    
 H    2.760000      -3.097300      0.6158000    


%chk=000164993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164993

0 1
S 2.286806 -0.565403 -2.343367
P 2.400210 -0.474875 -0.292749
O 1.017179 -1.037887 0.629409
O 2.623108 1.049300 0.465947
O 3.616651 -1.403040 0.490225
O -4.671368 1.631341 -0.560512
O -5.299851 -0.455070 0.117843
N -4.402024 0.437669 -0.143539
C -0.306303 -0.621350 0.390487
C 3.799775 1.885186 0.050112
C -0.631998 0.683513 -0.055003
C -1.312658 -1.576563 0.670417
C -2.982214 0.071139 0.045607
C -1.982739 1.029975 -0.233409
C -2.663330 -1.228573 0.502263
C 3.629835 3.226781 0.753291
C 3.927151 -2.760252 -0.021268
H 4.719395 1.362145 0.368948
H 3.791687 1.985310 -1.052357
H 0.159327 1.416445 -0.237660
H -1.018942 -2.572246 1.013159
H -2.275866 2.025095 -0.577249
H -3.467751 -1.939358 0.706938
H 4.481034 3.886098 0.502260
H 2.697892 3.723694 0.435219
H 3.602319 3.093207 1.847532
H 4.892109 -3.015460 0.439935
H 4.013498 -2.754208 -1.123270
H 3.146767 -3.470517 0.300490


