%chk=000111695.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111695

0 1
 S   -2.360500       1.498600      0.9270000    
 O  -0.9746000       2.343700      0.7402000    
 O   -3.441600       2.337600      0.4346000    
 O   -2.388200      0.9654000       2.278800    
 N   0.9429000      -1.230400      0.9949000    
 C  -0.4252000     -0.8741000       1.314200    
 C   -1.309900     -0.8983000      9.6100003E-02
 C    1.524800      -2.411800       1.600400    
 C    1.694300     -0.4448000      9.6000001E-02
 C   -2.208800      0.1303000     -0.1535000    
 C    1.932000      0.9009000      0.3751000    
 C   -1.202000      -1.976600     -0.7732000    
 C    2.198900      -1.014300      -1.073000    
 C    2.227100      -2.044000       2.893300    
 C    2.674300       1.677200     -0.5148000    
 C   -3.013800      8.0200002E-02  -1.291600    
 C   -2.007100      -2.026700      -1.911100    
 C    2.941400     -0.2381000      -1.963000    
 C   -2.913000     -0.9983000      -2.170400    
 C    3.179000       1.107700      -1.683800    
 C    2.929900       3.115700     -0.2162000    
 H  -0.3629000      8.6300001E-02   1.819700    
 H  -0.8528000      -1.567900       2.049800    
 H   0.7476000      -3.156100       1.811700    
 H    2.236000      -2.904800      0.9277000    
 H    1.559900       1.346000       1.294600    
 H  -0.5200000      -2.800300     -0.5844000    
 H    2.018300      -2.059100      -1.312000    
 H    3.044500      -1.337600       2.714500    
 H    1.533300      -1.580200       3.602500    
 H    2.648500      -2.937400       3.364700    
 H   -3.727400      0.8648000      -1.524500    
 H   -1.931800      -2.868400      -2.593200    
 H    3.333000     -0.6812000      -2.874000    
 H   -3.539900      -1.037900      -3.056400    
 H    3.760200       1.701300      -2.384600    
 H    2.079400       3.564700      0.3080000    
 H    3.822500       3.216800      0.4091000    
 H    3.079800       3.692200      -1.135300    
 H  -0.8015000       2.677700     -0.1713000    


%chk=000111695-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111695

0 1
S -2.932073 1.090122 1.762440
O -1.691273 2.458241 1.463060
O -4.431657 1.686754 1.662712
O -2.482199 0.309620 3.111388
N 1.066183 -1.158749 0.770940
C -0.163096 -0.457772 1.132857
C -1.266091 -0.509943 0.058533
C 1.260861 -2.505228 1.347648
C 2.096038 -0.497751 0.064941
C -2.519131 0.124454 0.193534
C 1.865754 0.776565 -0.540545
C -1.073377 -1.218445 -1.153360
C 3.389468 -1.085427 -0.086964
C 1.931574 -2.500267 2.741951
C 2.877274 1.451573 -1.262189
C -3.547252 0.099037 -0.762797
C -2.079004 -1.276211 -2.143533
C 4.390567 -0.416542 -0.818770
C -3.318115 -0.622600 -1.954799
C 4.150587 0.844294 -1.407446
C 2.599722 2.821424 -1.860908
H 0.044100 0.602604 1.374667
H -0.567272 -0.894901 2.064720
H 0.267735 -2.987649 1.419633
H 1.850383 -3.119643 0.642014
H 0.881443 1.251273 -0.468594
H -0.107430 -1.711361 -1.302020
H 3.624779 -2.051295 0.368846
H 2.929684 -2.030639 2.702423
H 1.319834 -1.936940 3.469768
H 2.046495 -3.533178 3.120166
H -4.489253 0.624852 -0.575763
H -1.891505 -1.830594 -3.069292
H 5.374871 -0.888160 -0.923960
H -4.096533 -0.665827 -2.722828
H 4.939692 1.352765 -1.972882
H 1.532564 2.945558 -2.116322
H 2.862037 3.626284 -1.146710
H 3.194481 2.988878 -2.776277
H -1.714264 3.063623 2.260317


