%chk=000071724.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071724

0 1
 S   -1.412400      0.2841000       2.058300    
 O   -1.139300      -1.638100      -1.896700    
 O   -3.582600       1.969000      -2.018800    
 O   -4.772200      0.2771000      -1.060700    
 O    1.166200      -3.367200     -0.7300000    
 O    5.648600       1.065700     -0.9808000    
 O    4.890800       2.443400      0.6525000    
 N   -2.395200     -0.7149000     -0.1244000    
 N   0.3249000      -1.981600      0.9290000    
 N    2.293400       2.091800     -5.0799999E-02
 C   -2.104400      -1.193800       1.230200    
 C   -2.470900       1.410000       1.018200    
 C   -2.503500      0.7109000     -0.3579000    
 C   -1.099000      -2.167500      0.6003000    
 C   -1.514900      -1.550000     -0.7497000    
 C   -1.800700       2.782300      0.9309000    
 C   -3.839500       1.535700       1.701300    
 C   -3.746500      0.9339000      -1.159100    
 C    1.341900      -2.609800      0.2208000    
 C    2.713200      -2.270700      0.7806000    
 C    3.036800     -0.7762000      0.7479000    
 C    3.023300     -0.2128000     -0.6818000    
 C    3.280900       1.298800     -0.7825000    
 C    4.661100       1.680100     -0.2768000    
 H   -2.973300      -1.648300       1.714700    
 H   -1.635900      0.9946000     -0.9697000    
 H   -1.394700      -3.219200      0.6930000    
 H   -2.388800       3.459900      0.3015000    
 H  -0.7981000       2.720500      0.4936000    
 H   -1.708200       3.250600       1.917700    
 H   -3.744200       1.936900       2.717500    
 H   -4.361400      0.5747000       1.770000    
 H   -4.490600       2.224000       1.150200    
 H   0.5745000      -1.409500       1.731500    
 H    3.462300      -2.827700      0.2058000    
 H    2.760000      -2.637000       1.813000    
 H   -4.388200       2.131500      -2.554300    
 H    2.329400     -0.2301000       1.379400    
 H    4.029200     -0.6282000       1.189900    
 H    2.051900     -0.4202000      -1.148400    
 H    3.770400     -0.7513000      -1.278800    
 H    3.231700       1.604000      -1.834400    
 H    2.349000       1.894600      0.9470000    
 H    1.355300       1.817500     -0.3405000    
 H    6.539200       1.311000     -0.6508000    


%chk=000071724-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071724

0 1
S -1.332904 0.492577 1.914363
O -0.484455 0.136905 -2.236503
O -4.642971 2.537048 -1.166197
O -5.021817 0.241343 -1.107718
O 0.715719 -3.687330 0.871379
O 5.787987 1.178438 -0.577211
O 4.080347 2.456545 0.338817
N -2.192729 -0.117719 -0.530211
N 0.781256 -1.432796 0.300114
N 2.110888 0.845611 -0.754598
C -1.771652 -0.880102 0.681313
C -2.813174 1.544097 1.198863
C -2.837043 1.184618 -0.359994
C -0.579986 -1.478398 -0.172531
C -0.995266 -0.400083 -1.230078
C -2.501360 3.034469 1.419005
C -4.106138 1.116352 1.926740
C -4.263660 1.208042 -0.913332
C 1.366581 -2.597364 0.778091
C 2.833250 -2.519231 1.226141
C 3.605326 -1.220410 0.906194
C 3.825576 -0.982581 -0.614881
C 3.517769 0.484554 -1.050545
C 4.445006 1.478943 -0.353456
H -2.505445 -1.578519 1.103866
H -2.254717 1.945587 -0.912810
H -0.825405 -2.515032 -0.471290
H -3.289727 3.653764 0.952755
H -1.529895 3.312426 0.974508
H -2.470366 3.272132 2.496852
H -3.989543 1.276013 3.011316
H -4.344197 0.051882 1.759627
H -4.967135 1.721522 1.582443
H 1.333398 -0.548649 0.105353
H 3.338909 -3.397448 0.781616
H 2.829175 -2.699635 2.319162
H -5.574767 2.554254 -1.516904
H 3.063790 -0.360938 1.348609
H 4.584562 -1.260511 1.418984
H 3.151913 -1.631329 -1.205557
H 4.860006 -1.234120 -0.908118
H 3.741044 0.564730 -2.135598
H 2.038300 1.743797 -0.256516
H 1.491598 0.805448 -1.576827
H 6.361452 1.849593 -0.117336


