%chk=000044659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044659

0 1
 S  -0.8929000      0.1820000       1.364300    
 S   -2.272200     -0.2897000     -0.1477000    
 O   -3.164000      -1.496800      0.4895000    
 O   -3.142200      0.8589000     -0.3123000    
 O   -1.537400     -0.8330000      -1.273200    
 N    1.257600     -9.3999997E-02 -0.5084000    
 N    2.353200      -2.013300      -1.193400    
 N    1.794300      -1.882300       1.005400    
 C   0.6242000      0.7889000      0.4860000    
 C   0.2101000       2.078300     -0.2822000    
 C    1.655500       1.143000       1.574900    
 C    1.353000       2.807600     -0.9880000    
 C    1.760700      -1.249700     -0.2148000    
 H  -0.5269000       1.833400      -1.056700    
 H  -0.2698000       2.792000      0.4005000    
 H    2.633200       1.372800       1.135000    
 H    1.823900      0.3493000       2.307100    
 H    1.340800       2.027800       2.142500    
 H    1.858600       2.162800      -1.712900    
 H    2.094100       3.178900     -0.2743000    
 H   0.9596000       3.672800      -1.532100    
 H    2.407500      -1.685500      -2.151700    
 H    2.753500      -2.922100     -0.9880000    
 H    1.301700      -1.524600       1.814500    
 H    2.237800      -2.788600       1.110200    
 H   -3.620300      -1.282000       1.336700    


%chk=000044659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044659

0 1
S -1.170812 -1.661257 2.111670
S -2.056933 -0.319266 0.544003
O -3.853745 -0.818492 0.518456
O -2.104297 1.263343 0.964589
O -1.440064 -0.619071 -0.930415
N 1.826616 0.148318 -0.426877
N 3.443829 -1.460673 -0.845761
N 1.491479 -2.084961 0.330633
C 1.382388 1.079780 0.380027
C 0.717040 2.299828 -0.205754
C 1.456069 0.979878 1.887492
C 0.550682 2.294160 -1.732356
C 2.241870 -1.130723 -0.262924
H -0.282706 2.348204 0.284983
H 1.267395 3.196088 0.150683
H 1.518501 1.980416 2.345121
H 2.297082 0.353482 2.230844
H 0.517452 0.503714 2.253050
H -0.048150 1.419977 -2.040185
H 1.525126 2.246424 -2.250614
H 0.025622 3.209361 -2.058124
H 3.916793 -0.756565 -1.407856
H 3.841695 -2.393989 -0.777710
H 0.587506 -1.865723 0.837408
H 1.693221 -3.075779 0.184802
H -4.350060 0.050425 0.445714


