%chk=000148616.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148616

0 1
 S   -5.775800      0.2309000      0.8499000    
 O    1.200000       4.328600     -0.6001000    
 O   -7.050000     -0.1991000       1.394900    
 O   -4.855800       1.010700       1.653900    
 N   0.4102000     -0.6205000      -1.344500    
 N    3.939100     -0.2384000      0.8844000    
 N   -4.986800      -1.138600      0.1655000    
 C    1.606800     -0.4907000     -0.5888000    
 C    2.069200      0.7809000     -0.2353000    
 C    2.311600      -1.636100     -0.2051000    
 C    3.256300      0.8615000      0.5122000    
 C    3.489200      -1.460900      0.5412000    
 C    1.381200       1.949000     -0.6075000    
 C  -0.9334000     -0.7499000     -0.9685000    
 C    1.870100      -2.926300     -0.5467000    
 C    3.721900       2.124800      0.8673000    
 C    4.195400      -2.597500      0.9262000    
 C    1.867700       3.199900     -0.2398000    
 C    3.040600       3.287500      0.4992000    
 C   -1.932200     -0.8617000      -1.942500    
 C   -1.290200     -0.7679000      0.3847000    
 C    2.594400      -4.046200     -0.1496000    
 C   -3.617800      -1.006600     -0.2177000    
 C    3.759500      -3.881100      0.5884000    
 C   -3.269900     -0.9896000      -1.568400    
 C   -2.627900     -0.8960000      0.7588000    
 C   -6.132300       1.158100     -0.6257000    
 C    1.758800       5.575000     -0.1863000    
 H   0.5771000     -0.6190000      -2.346500    
 H   0.4636000       1.910100      -1.189600    
 H   0.9660000      -3.091200      -1.127100    
 H    4.639100       2.218600       1.446400    
 H    5.111500      -2.494300       1.505100    
 H    3.482700       4.223400      0.8233000    
 H   -1.676600     -0.8494000      -2.999300    
 H  -0.5403000     -0.6861000       1.167200    
 H    2.252000      -5.041500     -0.4157000    
 H    4.332400      -4.748300      0.9031000    
 H   -4.032900      -1.074000      -2.338000    
 H   -2.881600     -0.9208000       1.815400    
 H   -5.554600      -1.683100     -0.4976000    
 H   -6.726200      0.5390000      -1.300600    
 H   -6.705500       2.041800     -0.3359000    
 H   -5.196300       1.466500      -1.094000    
 H    2.743900       5.742600     -0.6349000    
 H    1.779700       5.663600      0.9052000    
 H    1.098700       6.365000     -0.5591000    


%chk=000148616-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148616

0 1
S -5.421276 1.561660 0.471705
O -0.124774 3.566690 -0.309485
O -6.928073 1.841864 -0.090288
O -5.002889 1.958725 1.989980
N 0.321672 -1.515545 -1.185499
N 3.947855 -0.167659 0.714565
N -5.071159 -0.460757 0.238689
C 1.488782 -1.055114 -0.524247
C 1.651620 0.321481 -0.148367
C 2.563586 -1.972500 -0.299027
C 2.902801 0.694189 0.509718
C 3.794899 -1.464395 0.299519
C 0.688375 1.342805 -0.420742
C -1.018647 -1.276678 -0.821503
C 2.483137 -3.374484 -0.615430
C 3.073980 2.057145 0.935433
C 4.901176 -2.364663 0.490259
C 0.898078 2.657252 0.001585
C 2.100530 3.021598 0.704784
C -2.047206 -1.457139 -1.791487
C -1.376574 -0.874844 0.500718
C 3.573019 -4.217765 -0.409400
C -3.745901 -0.752609 -0.154473
C 4.800287 -3.706103 0.135221
C -3.384646 -1.176210 -1.470069
C -2.715197 -0.627116 0.827540
C -4.171249 2.485268 -0.680277
C 0.039762 4.964124 0.107644
H 0.470266 -2.149808 -1.973548
H -0.232091 1.120423 -0.963002
H 1.542161 -3.794687 -0.988512
H 4.011699 2.301326 1.443303
H 5.811481 -1.945740 0.929814
H 2.260523 4.048549 1.045614
H -1.784918 -1.777256 -2.807267
H -0.599893 -0.775128 1.264252
H 3.491927 -5.283905 -0.647867
H 5.648045 -4.383040 0.285934
H -4.161594 -1.286062 -2.237527
H -2.999543 -0.340326 1.845012
H -5.774440 -0.665143 -0.501486
H -4.368990 2.148910 -1.706925
H -4.414556 3.547256 -0.535334
H -3.159321 2.239381 -0.332364
H 0.931211 5.422887 -0.361041
H 0.105800 5.051078 1.208809
H -0.867135 5.474763 -0.247433


