%chk=000127382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127382

0 1
 S    4.928900      0.2325000      0.1755000    
 O   -3.366300      0.6599000     -0.2106000    
 O    3.692700      -2.328800     -0.6624000    
 O   -2.419800      -1.270900      0.6108000    
 N    1.082200       1.102500     -3.7799999E-02
 N    1.548700      -1.912500      5.2400000E-02
 N  -0.9789000       1.873000     -0.4323000    
 C   0.2117000      8.6300001E-02  0.2878000    
 C   0.6521000      -1.169800      0.9303000    
 C   -4.671200      8.4100001E-02 -8.6800002E-02
 C    2.499800       1.047000      3.9500002E-02
 C   -1.042600      0.5772000      9.9999997E-05
 C    3.246500     -0.1225000      2.3600001E-02
 C    2.875400      -1.521500     -0.2091000    
 C   0.3009000       2.171900     -0.4104000    
 C   -2.289000     -0.1080000      0.1695000    
 C   -4.909900     -0.2681000       1.380800    
 C   -5.681100       1.127400     -0.5601000    
 C   -4.737200      -1.164700     -0.9646000    
 C    3.317800       2.217800      9.1600001E-02
 C    1.084500      -3.226500     -0.3777000    
 C    4.654900       1.913700      0.1899000    
 H    1.201000     -0.9378000       1.851900    
 H  -0.1801000      -1.813900       1.223500    
 H   0.7140000       3.132500     -0.6875000    
 H   -4.599500      0.5538000       2.036400    
 H   -5.974800     -0.4581000       1.560900    
 H   -4.387600      -1.165500       1.721300    
 H   -5.481600       1.418000      -1.598000    
 H   -5.603100       2.042600      3.7799999E-02
 H   -6.709800      0.7581000     -0.4955000    
 H   -4.205200      -2.029700     -0.5612000    
 H   -5.777000      -1.487400      -1.095200    
 H   -4.319200     -0.9662000      -1.958400    
 H    2.957100       3.238700      9.1899998E-02
 H    1.036300      -3.883200      0.4958000    
 H    1.756800      -3.666800      -1.118600    
 H   8.9299999E-02  -3.124800     -0.8206000    
 H    5.482800       2.604300      0.2661000    


%chk=000127382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127382

0 1
S 5.056556 0.218851 0.140471
O -3.389298 0.582986 -0.180751
O 3.748914 -2.301474 -0.897442
O -2.318997 -1.315573 0.699602
N 1.141390 1.129640 -0.054669
N 1.630004 -1.939534 0.028567
N -0.936726 1.888941 -0.568596
C 0.252334 0.109747 0.314045
C 0.767519 -1.149060 0.944089
C -4.806247 0.016398 -0.048978
C 2.554829 1.065366 0.074501
C -1.026932 0.595007 -0.008853
C 3.290579 -0.126381 0.009874
C 2.914298 -1.532231 -0.315685
C 0.367967 2.181674 -0.583411
C -2.288239 -0.146907 0.209696
C -5.109966 -0.246195 1.439307
C -5.653220 1.172537 -0.605904
C -4.931116 -1.250391 -0.918328
C 3.362697 2.247267 0.252138
C 1.145375 -3.261747 -0.410272
C 4.714659 1.963093 0.313282
H 1.338151 -0.905345 1.863190
H -0.101361 -1.763160 1.224725
H 0.808905 3.090062 -0.985410
H -4.939564 0.668546 2.034169
H -6.171639 -0.534288 1.548850
H -4.480773 -1.057542 1.837199
H -5.377770 1.384882 -1.652841
H -5.492349 2.089473 -0.013973
H -6.724882 0.906779 -0.566560
H -4.315414 -2.070788 -0.518191
H -5.987458 -1.575710 -0.937437
H -4.618922 -1.037252 -1.956017
H 2.950059 3.253715 0.349559
H 1.090357 -3.966646 0.441072
H 1.853316 -3.661398 -1.151952
H 0.140587 -3.163783 -0.857710
H 5.541880 2.655040 0.459241


