%chk=000169851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169851

0 1
 S    1.582600      0.9989000       2.339300    
 O   0.7735000      0.6564000      -2.226000    
 O   -1.963200       1.995000      -1.485200    
 O    2.464900      -2.160100      -1.310500    
 O    4.186600     -0.8457000      -2.082300    
 N    2.064400      0.6848000     -0.2527000    
 N  -0.7392000       1.708200      0.4635000    
 N   -4.288700       1.987100     -6.4900003E-02
 C    1.834900       1.744500      0.7124000    
 C   0.5613000       2.074200     -9.6500002E-02
 C    1.104000       1.047200      -1.130900    
 C    3.013600     -0.2754000     -0.1081000    
 C    3.238900      0.2330000       2.368300    
 C    3.623800     -0.4931000       1.081200    
 C   -3.141800       1.286200      0.5056000    
 C   -3.285300     -0.2047000      0.4219000    
 C   -1.912100       1.699400     -0.2917000    
 C   -3.428500     -0.7820000     -0.9645000    
 C   -3.894600      -2.240300     -0.9759000    
 C   -3.166400      -3.060700      8.2000002E-02
 C   -3.388900      -2.478200       1.477900    
 C   -3.284600     -0.9820000       1.518800    
 C    4.742600      -1.482600       1.302100    
 C    3.302200      -1.110400      -1.283600    
 H    2.600300       2.528800      0.6750000    
 H   0.5526000       3.101000     -0.4813000    
 H  -0.8041000       1.442100       1.443200    
 H    3.233800     -0.4743000       3.204400    
 H    3.984700       1.004800       2.587800    
 H   -3.024800       1.621900       1.542500    
 H   -4.140000     -0.2116000      -1.569600    
 H   -2.457300     -0.7273000      -1.472100    
 H   -4.975200      -2.281900     -0.7880000    
 H   -3.727700      -2.673300      -1.968700    
 H   -2.092400      -3.074000     -0.1441000    
 H   -3.509700      -4.101000      5.6499999E-02
 H   -2.654500      -2.912300       2.165800    
 H   -4.381500      -2.764900       1.845300    
 H   -3.198700     -0.5290000       2.502900    
 H    5.070900      -1.972500      0.3814000    
 H    4.422800      -2.265900       1.997300    
 H    5.614400     -0.9743000       1.727700    
 H   -5.149700       1.669900      0.3777000    
 H   -4.378600       1.805300      -1.062200    
 H    2.627900      -2.744600      -2.081300    


%chk=000169851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169851

0 1
S 1.375561 0.661824 2.168355
O 0.802046 -0.819448 -2.023436
O -1.895583 2.982607 -0.723159
O 4.767577 -2.218659 -1.053689
O 3.973503 -0.576338 -2.489085
N 2.267471 0.326209 -0.432809
N -0.938130 1.002799 0.047255
N -4.404514 2.221264 -0.003794
C 1.627707 1.345607 0.417713
C 0.358828 1.269218 -0.517080
C 1.095285 0.064072 -1.206218
C 3.428781 -0.422882 -0.121206
C 3.217660 0.227406 2.339223
C 3.908377 -0.466396 1.170238
C -3.322752 1.420948 0.568144
C -3.546967 -0.091636 0.420011
C -2.000432 1.878515 -0.111194
C -3.878272 -0.611523 -0.969764
C -4.466194 -2.040717 -0.930650
C -3.627917 -2.954602 -0.006597
C -3.638388 -2.419048 1.446310
C -3.457700 -0.912686 1.505696
C 5.199566 -1.139611 1.590343
C 4.062779 -1.036238 -1.329363
H 2.166661 2.302658 0.476457
H 0.270403 2.160203 -1.163305
H -1.128397 0.104628 0.504372
H 3.267130 -0.426567 3.228366
H 3.757305 1.160309 2.590651
H -3.159409 1.619493 1.658621
H -4.581926 0.102615 -1.437287
H -2.962975 -0.599669 -1.600360
H -5.508099 -2.000269 -0.553615
H -4.507104 -2.459252 -1.953867
H -2.585340 -2.985876 -0.382145
H -4.010650 -3.992646 -0.029087
H -2.847632 -2.915313 2.044921
H -4.597634 -2.685388 1.940480
H -3.265952 -0.471555 2.497313
H 5.872829 -1.338149 0.745971
H 4.982377 -2.113970 2.070331
H 5.727638 -0.517893 2.338870
H -5.237029 2.315734 0.577625
H -4.081405 3.082323 -0.456576
H 5.134119 -2.565502 -1.912582


