%chk=000066236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066236

0 1
 S   0.8448000       1.804300       1.151200    
 O   0.8242000       1.125500       2.440100    
 O   0.7829000       3.259100       1.119100    
 O   -4.046100      -1.902300     -0.1618000    
 O   -2.811900      -1.902100       1.653700    
 N    2.229000       1.264000      0.2809000    
 N   -3.093500      -1.449100      0.5178000    
 C  -0.4794000       1.170500      0.1984000    
 C  -0.7746000       1.688500      -1.062600    
 C   -1.247100      0.1302000      0.7222000    
 C   -1.837600       1.166700      -1.799700    
 C   -2.310100     -0.3917000     -1.5000000E-02
 C    2.324600     -0.1342000     -4.1600000E-02
 C   2.7700000E-02   2.802100      -1.652400    
 C   -2.605200      0.1266000      -1.275900    
 C    2.340600      -1.075800      0.9805000    
 C    2.399200     -0.5288000      -1.372200    
 C    2.432800      -2.432000      0.6675000    
 C    2.491400      -1.885000      -1.685000    
 C    2.508200      -2.836600     -0.6651000    
 H   -1.014500     -0.2737000       1.703300    
 H    2.634200       1.906000     -0.4112000    
 H   -2.082600       1.558800      -2.783300    
 H  -0.1456000       3.739400      -1.116400    
 H  -0.2709000       2.987600      -2.691500    
 H    1.093300       2.574700      -1.693800    
 H   -3.425800     -0.2548000      -1.878300    
 H    2.318600     -0.7890000       2.026500    
 H    2.385800      0.2046000      -2.173800    
 H    2.453700      -3.172600       1.461600    
 H    2.549900      -2.200100      -2.722600    
 H    2.581600      -3.892500     -0.9088000    


%chk=000066236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066236

0 1
S 0.824701 1.843669 1.227952
O 0.662731 1.098164 2.655795
O 0.926870 3.463005 1.120920
O -4.326323 -1.824402 -0.045116
O -3.011021 -1.800764 1.820481
N 2.482911 1.206710 0.460520
N -3.326900 -1.383669 0.642923
C -0.621850 1.178819 0.141653
C -0.864480 1.690449 -1.157713
C -1.393835 0.188015 0.761182
C -1.987372 1.142318 -1.838606
C -2.482985 -0.324631 0.029951
C 2.506480 -0.147933 0.026547
C 0.001129 2.738015 -1.825968
C -2.794796 0.143016 -1.263890
C 2.389425 -1.181070 0.999188
C 2.693512 -0.483947 -1.344628
C 2.456770 -2.528808 0.594007
C 2.799817 -1.836405 -1.730615
C 2.669373 -2.863484 -0.766164
H -1.168001 -0.163544 1.773187
H 2.712218 1.912783 -0.261754
H -2.221966 1.514624 -2.841557
H 0.307905 3.523819 -1.114842
H -0.533077 3.204982 -2.668913
H 0.921294 2.276418 -2.237018
H -3.654886 -0.276550 -1.792175
H 2.261762 -0.909322 2.051568
H 2.779224 0.311995 -2.096215
H 2.361833 -3.321423 1.343784
H 2.970139 -2.089150 -2.782791
H 2.737000 -3.913398 -1.069893


