%chk=000170641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170641

0 1
 S    1.871800      -1.076100       1.128400    
 O    2.551700      0.1951000      0.3535000    
 O    1.446400     -0.6475000       2.448900    
 O    2.751600      -2.219600      0.9560000    
 O    4.383100       1.416200      -1.372600    
 O   -4.029000     -0.2996000      -1.185700    
 N   -4.024100       2.021300      0.2731000    
 N   -4.867600       2.704000      0.3018000    
 C  -0.7081000     -0.5473000      0.2337000    
 C   0.4029000      -1.406300      0.2218000    
 C   -1.854300     -0.8876000     -0.5234000    
 C   0.3839000      -2.584100     -0.5259000    
 C  -0.7069000      0.6422000      0.9805000    
 C   -1.855600      -2.076800      -1.270500    
 C   -2.965300     -2.8700000E-02 -0.5116000    
 C  -0.7430000      -2.918600      -1.270700    
 C   -1.819800       1.483600      0.9809000    
 C   -2.946900       1.149000      0.2363000    
 C    3.776300      0.7248000      0.8376000    
 C    4.195800       1.886000     -4.3000001E-02
 C    4.757200       2.469800      -2.249100    
 H    1.227300      -3.266900     -0.5582000    
 H   0.1455000      0.9994000       1.544600    
 H   -2.708300      -2.387200      -1.870400    
 H  -0.7567000      -3.835200      -1.853500    
 H    3.647600       1.061100       1.871400    
 H    4.535600     -6.3900001E-02  0.8057000    
 H   -1.792800       2.404500       1.557800    
 H    5.128100       2.322000      0.3320000    
 H    3.410800       2.651200     -4.4300001E-02
 H    4.891400       2.052900      -3.250900    
 H    5.702100       2.918800      -1.928400    
 H    3.972500       3.231400      -2.290700    


%chk=000170641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170641

0 1
S 1.966615 -1.013013 1.801740
O 2.619249 0.766617 1.827958
O 1.156096 -1.132847 3.193629
O 3.203134 -2.010885 1.470294
O 3.381016 0.580358 -1.072453
O -3.286240 0.275177 -1.979170
N -4.047562 1.825340 0.176344
N -5.082820 2.327831 -0.062987
C -0.429248 -0.278509 0.355887
C 0.784194 -1.020833 0.323666
C -1.245956 -0.384441 -0.828158
C 1.213692 -1.800687 -0.753311
C -0.853604 0.551527 1.471005
C -0.836840 -1.187061 -1.925465
C -2.539660 0.341120 -0.949440
C 0.378045 -1.891244 -1.895040
C -2.040682 1.246672 1.417921
C -2.886318 1.161341 0.249519
C 3.965629 0.918626 1.241669
C 3.894232 1.576412 -0.131247
C 3.107255 1.144842 -2.393347
H 2.176469 -2.317702 -0.699953
H -0.232685 0.609142 2.367619
H -1.502285 -1.234585 -2.793213
H 0.685968 -2.508196 -2.744427
H 4.526163 1.549309 1.956377
H 4.462479 -0.070474 1.170734
H -2.362183 1.869022 2.258617
H 4.911939 1.913725 -0.435205
H 3.224406 2.463094 -0.095883
H 2.698228 0.322499 -3.000959
H 4.033063 1.530190 -2.870516
H 2.361411 1.965534 -2.337104


