%chk=000048725.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048725

0 1
 S   -1.163500      0.1102000     -0.1052000    
 O    1.048800       2.283000      0.8939000    
 O    1.244700      -2.231600     -0.3826000    
 O    4.125700      0.8472000      -2.192800    
 N    2.650000       1.545400     -0.5740000    
 N    2.747400     -0.7097000      -1.212100    
 C    1.435400     -0.1077000      0.7719000    
 C   -4.003600     -7.4900001E-02 -6.8099998E-02
 C  -1.7600000E-02 -0.3003000       1.229900    
 C    2.382800     -0.3998000       1.949300    
 C   -2.720200     -0.2255000      0.7760000    
 C    1.655300       1.347800      0.3721000    
 C    1.762000      -1.116400     -0.3249000    
 C   -4.036000     -0.9769000      -1.324200    
 C   -4.314600       1.380500     -0.4884000    
 C    2.260400      -1.838500       2.398100    
 C   -3.868700      -2.460300      -1.026100    
 C   -4.436200       2.350400      0.6785000    
 C    3.248000      0.5769000      -1.371200    
 H   -4.833500     -0.3977000      0.5770000    
 H  -0.2325000      -1.334400       1.511400    
 H  -0.2431000      0.3377000       2.092200    
 H    2.161100      0.2667000       2.792700    
 H    3.426100     -0.2035000       1.670100    
 H   -2.768000      0.4279000       1.652700    
 H   -2.670500      -1.249100       1.163100    
 H   -3.274900     -0.6650000      -2.048600    
 H   -5.003700     -0.8447000      -1.825200    
 H   -3.551300       1.750100      -1.183300    
 H   -5.264700       1.394300      -1.037700    
 H    1.257000      -2.113800       2.729200    
 H    2.605300      -2.555700       1.649000    
 H    2.912200      -1.986600       3.268100    
 H    2.914400       2.508700     -0.7606000    
 H    3.083600      -1.408600      -1.868800    
 H   -4.026200      -3.045100      -1.938200    
 H   -2.864000      -2.688900     -0.6598000    
 H   -4.596200      -2.795600     -0.2802000    
 H   -4.793000       3.321900      0.3212000    
 H   -5.147600       1.982700       1.424400    
 H   -3.471700       2.516800       1.166700    


%chk=000048725-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048725

0 1
S -1.228829 1.130862 0.533857
O 2.113417 2.291480 0.686147
O 0.175280 -2.137418 0.446278
O 2.765811 -0.446919 -3.012793
N 2.458423 0.882797 -1.114113
N 1.559345 -1.301287 -1.201779
C 1.343757 -0.028088 0.947837
C -3.704756 -0.075256 -0.246854
C 0.102543 0.472960 1.718809
C 2.486622 -0.505451 1.946271
C -2.572342 -0.207067 0.794698
C 1.966251 1.152965 0.175266
C 0.947057 -1.218463 0.061284
C -3.246373 -0.430601 -1.689111
C -4.399413 1.316021 -0.220734
C 2.080973 -1.608709 2.943286
C -2.792999 -1.895050 -1.877628
C -4.955829 1.736698 1.156217
C 2.298987 -0.299381 -1.857085
H -4.465310 -0.831367 0.056429
H -0.344446 -0.349903 2.295700
H 0.387442 1.300566 2.386114
H 2.812859 0.399639 2.493129
H 3.353012 -0.846800 1.345068
H -2.959824 -0.070765 1.818527
H -2.066968 -1.183910 0.724048
H -2.427691 0.255091 -1.986070
H -4.092806 -0.223323 -2.374746
H -3.684036 2.085235 -0.575904
H -5.225568 1.294793 -0.959718
H 1.312437 -1.258701 3.654228
H 1.687788 -2.504524 2.433911
H 2.966215 -1.907815 3.533324
H 2.943026 1.647161 -1.596133
H 1.367798 -2.141640 -1.757575
H -2.541256 -2.093637 -2.936076
H -1.900932 -2.134465 -1.270955
H -3.595743 -2.599717 -1.586922
H -5.526172 2.680268 1.075911
H -5.635798 0.966145 1.567875
H -4.143054 1.905476 1.885481


