%chk=000043944.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043944

0 1
 S   -3.784100       2.110600      3.9600000E-02
 O   0.6992000      -2.054400       1.259200    
 O   -1.377700      -3.274800      5.3599998E-02
 O   -5.216400       1.968700      0.2609000    
 O   -2.999900       2.975200      0.9103000    
 N    4.275800       1.776300      0.1881000    
 N    1.112800      3.3799998E-02  0.3689000    
 N   -3.520700       2.580900      -1.581800    
 C    3.357300     -0.5644000     -0.4812000    
 C    2.524800      5.5199999E-02  0.6590000    
 C    3.362300      0.3970000      -1.683000    
 C    4.806800     -0.6624000      2.4100000E-02
 C    3.032400       1.484300      0.9390000    
 C    3.965800       1.745300      -1.257900    
 C    5.277900      0.7282000      0.4829000    
 C   0.2687000      -1.048200      0.6964000    
 C   -1.154500     -0.9065000      0.3615000    
 C   -1.715500      0.3640000      0.3598000    
 C   -1.919100      -2.024000      5.4299999E-02
 C   -3.065700      0.5192000      4.5299999E-02
 C   -3.269000      -1.868800     -0.2602000    
 C   -3.842300     -0.5973000     -0.2648000    
 C  -0.8191000      -3.737900      -1.173800    
 H    2.978500      -1.549500     -0.7742000    
 H    2.679600     -0.5487000       1.563100    
 H    2.343900      0.5422000      -2.061200    
 H    3.951600     -3.0500000E-02  -2.503100    
 H    5.458900      -1.035900     -0.7745000    
 H    4.872800      -1.372900      0.8565000    
 H    2.275500       2.242200      0.6985000    
 H    3.224500       1.600100       2.013500    
 H    4.876200       1.948500      -1.835800    
 H    3.273100       2.558900      -1.506900    
 H    5.493000      0.7157000       1.558800    
 H    6.229000      0.9777000     -3.8000001E-03
 H   0.7435000      0.8020000     -0.1824000    
 H   -1.129900       1.239900      0.6218000    
 H   -3.880100      -2.733900     -0.5035000    
 H   -4.893900     -0.4993000     -0.5190000    
 H   -1.597500      -3.823200      -1.938500    
 H  -0.3882000      -4.728100      -1.001800    
 H  -2.6100000E-02  -3.067400      -1.519900    
 H   -4.337200       2.627200      -2.203400    
 H   -2.821700       3.312700      -1.758400    


%chk=000043944-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043944

0 1
S -4.049709 2.104337 0.485438
O 0.628108 -1.971770 1.249578
O -1.544723 -3.204384 -0.932211
O -5.647401 1.825938 0.643471
O -3.153392 2.857411 1.618220
N 4.220574 1.722288 -0.272333
N 1.055773 0.019979 0.126768
N -3.782925 3.113858 -1.043712
C 3.443994 -0.757537 -0.193103
C 2.445858 0.136119 0.608859
C 3.522635 -0.277089 -1.666674
C 4.842474 -0.617554 0.468056
C 2.958454 1.622057 0.509839
C 3.991542 1.225149 -1.663902
C 5.277791 0.892522 0.385660
C 0.225050 -1.017404 0.508899
C -1.207979 -0.890332 0.042755
C -1.862960 0.340787 0.319280
C -1.985842 -1.956171 -0.518660
C -3.231002 0.474472 0.070985
C -3.385909 -1.785088 -0.723685
C -4.025036 -0.572956 -0.431180
C -0.119473 -3.534947 -1.104914
H 3.102909 -1.805939 -0.140162
H 2.443704 -0.216935 1.656922
H 2.539268 -0.390104 -2.161826
H 4.235994 -0.914248 -2.221991
H 5.564621 -1.267779 -0.060465
H 4.800576 -0.964989 1.517833
H 2.200963 2.268289 0.023357
H 3.139935 2.037167 1.516460
H 4.934920 1.350666 -2.224492
H 3.239586 1.883362 -2.137650
H 5.460922 1.312232 1.391292
H 6.208775 1.010879 -0.196762
H 0.700663 0.721877 -0.526887
H -1.316132 1.163769 0.792812
H -3.940459 -2.633377 -1.134218
H -5.102821 -0.442777 -0.568079
H 0.407929 -2.729246 -1.650662
H -0.126236 -4.454237 -1.709236
H 0.359930 -3.697860 -0.127223
H -4.672110 3.147094 -1.571549
H -3.473539 4.050173 -0.728909


