%chk=000067183.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067183

0 1
 S    2.182600       1.711900     -0.3695000    
 S    2.673700      -1.978400       1.671200    
 O    2.408800       3.023000      0.2271000    
 O    2.490100       1.520400      -1.781600    
 O   -3.962200      -1.282800      -1.168200    
 N    3.032600      0.5434000      0.5691000    
 N   -3.494000      0.2608000      0.5512000    
 N    2.438400      -1.348200     -0.8249000    
 C   0.5116000       1.285000     -9.8399997E-02
 C  -0.1214000      0.3737000     -0.9437000    
 C  -0.1906000       1.855100      0.9637000    
 C   -2.158500      0.6025000      0.3346000    
 C   -1.456500      3.2499999E-02 -0.7273000    
 C   -1.525700       1.513800       1.180100    
 C    2.716500     -0.8452000      0.3691000    
 C   -4.290000     -0.6268000     -0.1847000    
 C    2.254900      -3.220900      0.5657000    
 C    2.176900      -2.699400     -0.7086000    
 C   -5.687200     -0.7206000      0.3753000    
 H   0.3944000     -6.6600002E-02  -1.791700    
 H   0.2839000       2.561100       1.639300    
 H   -1.879400     -0.6752000      -1.426500    
 H   -2.060300       1.964300       2.012600    
 H    3.286300      0.7999000       1.531000    
 H   -3.936100      0.7191000       1.345400    
 H    2.091500      -4.238900      0.8890000    
 H    1.929500      -3.266300      -1.595900    
 H   -5.649800      -1.105800       1.398100    
 H   -6.287800      -1.397900     -0.2381000    
 H   -6.155200      0.2679000      0.3734000    


%chk=000067183-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067183

0 1
S 1.985638 1.348917 -0.164899
S 4.965032 -1.726289 0.667367
O 2.376040 2.794229 0.482682
O 2.444547 0.910071 -1.661764
O -4.526686 -1.177998 -0.977636
N 2.737125 0.014086 1.193660
N -4.010331 0.631220 0.429111
N 2.355805 -2.072535 0.072356
C 0.144243 1.091334 0.012209
C -0.466791 0.055029 -0.711843
C -0.557385 1.960698 0.864266
C -2.606349 0.745944 0.257534
C -1.859748 -0.118920 -0.592260
C -1.946922 1.782641 0.978347
C 3.154457 -1.182406 0.664415
C -4.894323 -0.281888 -0.166160
C 4.413381 -3.225705 -0.127690
C 3.044367 -3.190434 -0.374943
C -6.355069 -0.105616 0.238283
H 0.127891 -0.603109 -1.351745
H -0.033763 2.758227 1.399942
H -2.375635 -0.909945 -1.138126
H -2.522830 2.451747 1.629328
H 3.460866 0.576688 1.674748
H -4.430434 1.307794 1.070326
H 5.112203 -4.034671 -0.329821
H 2.487601 -3.990430 -0.864331
H -6.739452 -1.069223 0.612929
H -6.945903 0.153980 -0.657449
H -6.520576 0.667962 1.007964


