%chk=000033329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033329

0 1
 S   0.6763000      0.8933000      -1.871100    
 O    2.645200       2.261200      0.4170000    
 N   -4.154000     -0.3717000     -0.2136000    
 C   0.5586000       1.205400     -6.5800004E-02
 C    1.277400     -0.8445000      -1.715700    
 C    1.061900     -4.1299999E-02  0.6146000    
 C    1.432400      -1.098800     -0.2332000    
 C  -0.8940000       1.517500      0.2918000    
 C   -1.826600      0.3946000     -0.1544000    
 C    1.438900       2.388400      0.2127000    
 C   0.2320000      -1.768800      -2.347800    
 C    2.618100     -0.9554000      -2.448600    
 C    1.169700     -0.1849000       2.000600    
 C    1.905300      -2.295200      0.3129000    
 C   -3.271800      0.6986000      0.2364000    
 C    1.644200      -1.381100       2.538400    
 C   0.7739000       3.738200      0.2272000    
 C    2.010300      -2.433000       1.697400    
 C   -5.545300     -7.0900001E-02  0.1284000    
 C   -3.752400      -1.651500      0.3728000    
 H   -1.001900       1.674000       1.373500    
 H   -1.257300       2.433300     -0.1894000    
 H   -1.813600      0.2548000      -1.239000    
 H   -1.494400     -0.5327000      0.3185000    
 H   0.5695000      -2.812200      -2.324700    
 H  -0.7265000      -1.742600      -1.819100    
 H   5.0200000E-02  -1.516500      -3.399100    
 H    3.013300      -1.977200      -2.401900    
 H    2.520300     -0.6994000      -3.510300    
 H    3.379800     -0.2992000      -2.009500    
 H   0.8889000      0.6265000       2.665900    
 H    2.192100      -3.123500     -0.3285000    
 H   -3.343000      0.8418000       1.322900    
 H   -3.572600       1.642700     -0.2354000    
 H    1.728700      -1.494700       3.615400    
 H   0.2591000       3.930900     -0.7171000    
 H   0.1004000       3.835000       1.081600    
 H    1.548400       4.505500      0.3332000    
 H    2.377900      -3.362700       2.122400    
 H   -5.859000      0.8735000     -0.3301000    
 H   -5.698200      3.4000000E-03   1.211300    
 H   -6.214900     -0.8448000     -0.2631000    
 H   -2.842100      -2.046000     -8.9100003E-02
 H   -4.515100      -2.415700      0.1774000    
 H   -3.615900      -1.592900       1.458800    


%chk=000033329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033329

0 1
S 0.507127 0.734308 -2.048814
O 2.545390 2.044101 0.548074
N -4.535956 -0.304159 0.232927
C 0.406489 1.038976 -0.138226
C 1.683493 -0.794602 -1.867078
C 0.937395 -0.250228 0.477325
C 1.562212 -1.175694 -0.390941
C -1.047684 1.391271 0.272673
C -2.077241 0.260467 0.060791
C 1.392447 2.225690 0.073583
C 1.166996 -1.885978 -2.829236
C 3.131495 -0.365948 -2.210169
C 0.854653 -0.523971 1.861467
C 2.094692 -2.378819 0.128863
C -3.480260 0.691870 0.535340
C 1.381960 -1.726878 2.378429
C 0.919955 3.618721 -0.331569
C 2.000295 -2.657263 1.510132
C -5.888009 0.259114 0.426670
C -4.368817 -1.575030 0.967331
H -1.033002 1.679540 1.346505
H -1.374688 2.289745 -0.284532
H -2.127403 -0.005961 -1.010648
H -1.743276 -0.640403 0.606439
H 1.817433 -2.779866 -2.776899
H 0.136518 -2.185527 -2.575020
H 1.180799 -1.524535 -3.873229
H 3.814146 -1.232155 -2.108437
H 3.192407 0.004412 -3.248720
H 3.477037 0.428046 -1.527575
H 0.386933 0.199935 2.538393
H 2.579919 -3.099881 -0.539087
H -3.443235 0.929410 1.634785
H -3.756998 1.631388 0.016391
H 1.315973 -1.937827 3.451431
H 0.375277 3.603812 -1.291332
H 0.237014 4.024460 0.439687
H 1.793080 4.285212 -0.409148
H 2.408640 -3.592396 1.909285
H -6.010401 1.159312 -0.202036
H -6.104098 0.546688 1.488480
H -6.647481 -0.480390 0.114996
H -3.412515 -2.053795 0.699321
H -5.181442 -2.268756 0.687035
H -4.393066 -1.445015 2.080946


