%chk=000179004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000179004

0 1
 S  -0.8536000       1.177000     -0.1168000    
 O  -0.2434000     -0.9694000       1.236500    
 N    1.575900      1.2600000E-02  0.1184000    
 N   -2.399000     -0.7605000      -1.078700    
 C    2.517900     -0.9433000      0.7165000    
 C    2.150600       1.014800     -0.7358000    
 C    2.662000      -2.214800     -0.1131000    
 C    2.634700       2.234200      4.1800000E-02
 C    3.621600      -3.224700      0.5205000    
 C    3.222600       3.315800     -0.8672000    
 C   0.2139000     -9.6400000E-02  0.5020000    
 C    3.698900      -4.505100     -0.2965000    
 C    3.641000       4.542400     -7.1599998E-02
 C   -2.407000      0.3101000     -0.2502000    
 C   -3.524600      0.7285000      0.4579000    
 C   -4.702800      5.7000001E-03  0.3068000    
 C   -3.515900       1.911400       1.366000    
 C   -4.730400      -1.099800     -0.5363000    
 C   -3.562300      -1.438400      -1.200200    
 H    3.491000     -0.4558000      0.8463000    
 H    2.161100      -1.205600       1.719800    
 H    2.987100      0.5663000      -1.286200    
 H    1.429500       1.322200      -1.499300    
 H    3.014000      -1.958800      -1.120200    
 H    1.676000      -2.679400     -0.2405000    
 H    3.391400       1.930500      0.7758000    
 H    1.805000       2.659500      0.6196000    
 H    3.288300      -3.467000       1.536300    
 H    4.622000      -2.784500      0.6025000    
 H    2.481800       3.612000      -1.619000    
 H    4.090600       2.917100      -1.404500    
 H    4.055700      -4.301700      -1.311200    
 H    4.390900      -5.212000      0.1718000    
 H    2.718000      -4.985900     -0.3666000    
 H    4.402200       4.286400      0.6723000    
 H    4.060100       5.301900     -0.7390000    
 H    2.785200       4.983200      0.4495000    
 H   -5.607900      0.2889000      0.8372000    
 H   -4.495000       2.073200       1.830800    
 H   -2.796100       1.770800       2.179100    
 H   -3.270700       2.823800      0.8123000    
 H   -5.637400      -1.678200     -0.6695000    
 H   -3.531200      -2.292100      -1.869100    


%chk=000179004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179004

0 1
S -0.848585 1.135869 -0.885422
O -0.462583 -1.012088 0.848354
N 1.489121 -0.007596 0.048561
N -3.040222 -0.120923 -1.878499
C 2.334948 -0.938027 0.843338
C 2.172303 0.983304 -0.814091
C 2.672370 -2.239920 0.082113
C 2.464600 2.324053 -0.100253
C 3.573974 -3.180686 0.913255
C 3.228451 3.312050 -1.010475
C 0.123156 -0.146593 0.146787
C 3.913893 -4.487535 0.164673
C 3.527228 4.653581 -0.307265
C -2.548867 0.408632 -0.732624
C -3.265436 0.478162 0.497739
C -4.573015 -0.075188 0.482359
C -2.694121 1.090565 1.754851
C -5.101262 -0.640915 -0.697873
C -4.302487 -0.635422 -1.861894
H 3.262097 -0.398531 1.117464
H 1.792229 -1.183844 1.773064
H 3.122612 0.528059 -1.154330
H 1.561133 1.161128 -1.718226
H 3.175924 -1.993987 -0.875176
H 1.726692 -2.754834 -0.172146
H 3.055764 2.131994 0.818315
H 1.507498 2.777875 0.222221
H 3.064917 -3.423668 1.867954
H 4.512341 -2.653309 1.183174
H 2.633897 3.499405 -1.927489
H 4.180179 2.848750 -1.343527
H 4.454404 -4.277364 -0.777457
H 4.550042 -5.150952 0.778715
H 2.993951 -5.044162 -0.093885
H 4.146511 4.499079 0.596392
H 4.070344 5.346917 -0.975025
H 2.591370 5.151374 0.008302
H -5.170551 -0.053845 1.400903
H -3.485784 1.275531 2.501241
H -1.946926 0.406359 2.196108
H -2.177101 2.041856 1.537084
H -6.107969 -1.070182 -0.720370
H -4.665338 -1.050069 -2.808739


