%chk=000178426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178426

0 1
 S    3.196900       1.034600      0.2863000    
 O   0.7943000      -2.687300     -0.1392000    
 O   -1.339000      -1.470200       1.869500    
 N    2.845200      -1.615400     -0.1465000    
 N  -0.5784000     -0.4267000     -5.6200001E-02
 N    5.008600     -0.8594000     -0.1579000    
 C   0.8058000     -0.3170000      0.3489000    
 C    1.478600      0.8913000     -0.3181000    
 C    1.450400      -1.649400     -2.9700000E-02
 C    3.608200      -2.793400     -0.4497000    
 C    3.753000     -0.5697000     -2.7200000E-02
 C   0.7531000       2.209300     -0.1058000    
 C    5.049500      -2.320900     -0.3902000    
 C   0.8281000       3.206900      -1.075500    
 C   1.4900000E-02   2.415800       1.057700    
 C   -1.544200      -1.002700      0.7524000    
 C   0.1619000       4.416900     -0.8807000    
 C  -0.6514000       3.625800       1.252300    
 C   -2.914100      -1.063400      0.1807000    
 C  -0.5778000       4.626300      0.2830000    
 C   -3.770100      -2.057600      0.6069000    
 C   -3.286500     -0.1232000     -0.7575000    
 C   -5.056400      -2.114500      7.0299998E-02
 C   -4.572900     -0.1802000      -1.294000    
 C   -5.457800      -1.175800     -0.8799000    
 H   0.8525000     -0.2607000       1.444300    
 H    1.530100      0.7050000      -1.400000    
 H    3.330300      -3.155700      -1.445200    
 H    3.391200      -3.582800      0.2773000    
 H    5.590200      -2.806400      0.4293000    
 H    5.577700      -2.539300      -1.324000    
 H  -0.7945000     -0.1821000      -1.017100    
 H    1.401000       3.056700      -1.986400    
 H  -4.8599999E-02   1.675200       1.847800    
 H   0.2194000       5.196000      -1.635100    
 H   -1.223100       3.791500       2.160800    
 H   -1.095400       5.568800      0.4353000    
 H   -3.471500      -2.799000       1.342000    
 H   -2.640500      0.6869000      -1.079700    
 H   -5.745300      -2.890200      0.3919000    
 H   -4.888800      0.5553000      -2.028100    
 H   -6.459900      -1.219100      -1.296400    


%chk=000178426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178426

0 1
S 3.168109 0.970424 0.681303
O 1.010585 -2.589581 -1.155577
O -1.383795 -0.374353 1.831002
N 2.971908 -1.642031 -0.378757
N -0.577914 -0.574791 -0.346703
N 5.087094 -0.967306 0.287996
C 0.812602 -0.466500 0.086235
C 1.488420 0.888505 -0.290295
C 1.595445 -1.651061 -0.532967
C 3.830335 -2.788322 -0.805248
C 3.828446 -0.637114 0.184652
C 0.726372 2.153870 0.040416
C 5.217757 -2.383474 -0.200194
C 0.688724 3.199872 -0.917460
C 0.085177 2.341066 1.292453
C -1.609214 -0.568642 0.593360
C 0.016361 4.409535 -0.637847
C -0.586324 3.550583 1.571067
C -2.992966 -0.811765 0.061436
C -0.623255 4.588020 0.610326
C -3.983401 -1.244998 0.979958
C -3.345548 -0.604179 -1.298120
C -5.300652 -1.491524 0.542721
C -4.666500 -0.846823 -1.733214
C -5.644912 -1.296885 -0.816409
H 0.815324 -0.563738 1.191816
H 1.767480 0.889396 -1.358868
H 3.840134 -2.861029 -1.906589
H 3.420617 -3.727773 -0.400812
H 5.504021 -3.028526 0.650108
H 6.028030 -2.429325 -0.946770
H -0.730458 -1.070343 -1.230873
H 1.189328 3.065663 -1.884584
H 0.081799 1.538390 2.036637
H -0.006775 5.207823 -1.387793
H -1.085616 3.679692 2.537316
H -1.146127 5.525208 0.831505
H -3.695272 -1.376233 2.028027
H -2.608459 -0.216553 -2.010738
H -6.058224 -1.832677 1.256534
H -4.934836 -0.676675 -2.781556
H -6.669118 -1.485628 -1.156895


