%chk=000076606.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076606

0 1
 S   0.8770000       1.715000     -5.4200001E-02
 O   0.7189000       2.085900      -1.447200    
 O    1.439300       2.653600      0.8975000    
 O   -1.462400      0.1941000      -1.418000    
 N   -2.702100      7.5999998E-02  0.5297000    
 N  -0.6105000       1.125200      0.5473000    
 C   -3.831700     -0.6347000     -2.1500001E-02
 C    1.873000      0.2565000      1.7000001E-02
 C   -5.112900     -0.2305000      0.6963000    
 C   -3.606600      -2.139600      5.6499999E-02
 C   -1.600000      0.4349000     -0.2224000    
 C    1.913600     -0.5885000      -1.078700    
 C    2.593900     -1.4300000E-02   1.167400    
 C    2.699100      -1.739800      -1.022300    
 C    3.379400      -1.165500       1.223600    
 C    3.432000      -2.028300      0.1288000    
 H   -3.926900     -0.3570000      -1.078300    
 H   -2.693700      0.2799000       1.524700    
 H   -5.981500     -0.7368000      0.2625000    
 H   -5.068900     -0.4813000       1.762100    
 H   -5.276900      0.8500000      0.6187000    
 H   -2.701600      -2.429300     -0.4886000    
 H   -4.450900      -2.684900     -0.3778000    
 H   -3.484400      -2.469100       1.094500    
 H  -0.8237000       1.320700       1.533600    
 H    1.347700     -0.3837000      -1.982000    
 H    2.560200      0.6397000       2.033200    
 H    2.739200      -2.412400      -1.874100    
 H    3.948700      -1.391400       2.120600    
 H    4.043000      -2.925100      0.1730000    


%chk=000076606-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076606

0 1
S 0.883703 1.675251 0.236319
O 0.666114 2.380488 -1.200246
O 1.396415 2.537082 1.519972
O -1.196023 -0.308035 -0.959216
N -2.878703 0.158700 0.600970
N -0.713798 1.028571 0.902827
C -3.889169 -0.713391 -0.048705
C 1.982152 0.148131 0.057239
C -5.291511 -0.112932 0.173927
C -3.784792 -2.169495 0.461661
C -1.589466 0.258967 0.104874
C 1.864722 -0.642359 -1.096241
C 2.910454 -0.069320 1.087592
C 2.751517 -1.738095 -1.212223
C 3.784120 -1.172349 0.947003
C 3.702361 -2.000794 -0.197159
H -3.645292 -0.702678 -1.126335
H -3.138962 0.623935 1.472242
H -6.052653 -0.730242 -0.334207
H -5.550565 -0.087964 1.250889
H -5.354023 0.913946 -0.227115
H -2.767072 -2.561091 0.293117
H -4.499028 -2.818355 -0.077670
H -4.013523 -2.228629 1.542428
H -1.006783 1.580663 1.718571
H 1.102872 -0.423319 -1.848727
H 2.954347 0.606534 1.947624
H 2.692956 -2.384594 -2.093681
H 4.525776 -1.377257 1.725832
H 4.384156 -2.852070 -0.299661


