%chk=000004495.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004495

0 1
 S   -3.261800       1.929000      7.1500003E-02
 O   0.5587000       1.052600      0.7099000    
 O   -3.739300       3.159900     -0.5302000    
 O   -4.157200      0.8043000      0.2581000    
 O  -0.4502000      -4.717500     -0.1835000    
 O    1.247300      -3.853200      0.9078000    
 N   -1.827100       1.445500     -0.7477000    
 N   0.1826000      -3.726900      0.2558000    
 C   -1.308900      0.1391000     -0.4860000    
 C  -0.1275000     -2.5800001E-02  0.2369000    
 C   -1.996800     -0.9770000     -0.9623000    
 C   0.3662000      -1.306800      0.4835000    
 C  -0.3214000      -2.423000      7.0000002E-03
 C   -1.503000      -2.258000     -0.7159000    
 C   -2.587300       2.359000       1.660300    
 C    1.860200       1.227200      0.2732000    
 C    2.146900       1.073700      -1.071700    
 C    2.842700       1.549800       1.192300    
 C    3.458900       1.248700      -1.511800    
 C    4.154600       1.725000      0.7524000    
 C    4.462700       1.574300     -0.5997000    
 H   -1.100800       2.170800     -0.8198000    
 H   -2.911000     -0.8651000      -1.539400    
 H    1.282300      -1.416500       1.059500    
 H   -2.063400      -3.104200      -1.105300    
 H   -1.817500       3.121100       1.526100    
 H   -3.399200       2.759300       2.271900    
 H   -2.179400       1.464800       2.134000    
 H    1.380900      0.8393000      -1.804700    
 H    2.604300       1.666800       2.245200    
 H    3.698300       1.135800      -2.565200    
 H    4.936200       1.978500       1.462500    
 H    5.484100       1.711600     -0.9425000    


%chk=000004495-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004495

0 1
S -3.088003 2.075524 -0.127399
O 0.929512 1.004344 0.659328
O -2.444676 3.378802 -0.862402
O -3.802836 0.887650 -0.978398
O -0.391861 -4.821924 -0.507598
O 1.692660 -3.894292 -0.598076
N -1.738534 1.230325 1.115929
N 0.416329 -3.818844 -0.400681
C -1.230444 -0.011360 0.692742
C 0.176999 -0.163503 0.442957
C -2.073619 -1.149473 0.559859
C 0.726232 -1.406555 0.096747
C -0.153147 -2.505022 -0.030023
C -1.545899 -2.395526 0.189244
C -4.303985 2.677938 1.201884
C 2.235308 1.154684 0.091466
C 2.460648 0.956619 -1.287661
C 3.250287 1.608035 0.955938
C 3.751062 1.208105 -1.804071
C 4.534169 1.862082 0.422230
C 4.788647 1.659018 -0.954108
H -0.982008 1.946627 1.142896
H -3.144618 -1.034932 0.742151
H 1.795665 -1.546505 -0.078020
H -2.179486 -3.277498 0.073958
H -3.756488 3.398389 1.823631
H -5.136015 3.141408 0.653567
H -4.606959 1.785862 1.764094
H 1.648133 0.627640 -1.943259
H 3.029301 1.756359 2.016981
H 3.940097 1.059514 -2.872334
H 5.333033 2.214602 1.083081
H 5.785596 1.854006 -1.362454


