%chk=000100205.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100205

0 1
 S   -3.816000       1.125100     -0.1389000    
 O   -3.231400      -1.666800      0.9543000    
 O    5.975400       1.826500      0.1731000    
 O   -3.829800       1.997300      -1.516600    
 O   -3.356400       1.970800      0.9461000    
 O   -5.054100      0.3748000     -4.8099998E-02
 N   0.2396000      -1.092200     -0.2090000    
 N    3.039200     -0.3894000     -4.5200001E-02
 C   0.7440000     -0.2145000      0.8542000    
 C    1.286400      -2.025800     -0.6420000    
 C    1.992400      0.5434000      0.3898000    
 C    2.534300      -1.267800      -1.107700    
 C  -0.9497000      -1.815700      0.2358000    
 C   -2.103400     -0.8702000      0.5862000    
 C    4.227500      0.3351000     -0.4916000    
 C   -2.513700      1.5200000E-02 -0.5867000    
 C    4.815600       1.154400      0.6463000    
 H   9.7000003E-03  0.5507000       1.124000    
 H   0.9740000     -0.7882000       1.762400    
 H    1.555300      -2.716800      0.1686000    
 H   0.9201000      -2.631800      -1.479600    
 H    1.725800       1.241600     -0.4153000    
 H    2.311400       1.135700       1.252200    
 H    3.302200      -2.002800      -1.377900    
 H    2.299600     -0.6920000      -2.013400    
 H  -0.7282000      -2.459300       1.098300    
 H   -1.291500      -2.494100     -0.5578000    
 H   -1.873400     -0.2625000       1.466500    
 H    4.010500      0.9874000      -1.348200    
 H    4.993700     -0.3714000     -0.8368000    
 H   -1.677800      0.6336000     -0.9277000    
 H   -2.886800     -0.5850000      -1.423600    
 H    5.103300      0.5156000       1.488100    
 H    4.143900       1.937700       1.003400    
 H   -2.972600      -2.205800       1.721200    
 H    6.341300       2.327800      0.9217000    
 H   -3.061700       2.602500      -1.643700    


%chk=000100205-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100205

0 1
S -3.895809 0.853756 -0.680369
O -3.259229 -1.869626 1.073724
O 6.231704 1.702853 -0.216808
O -2.823434 2.187791 0.066199
O -4.959381 0.365659 0.456515
O -4.451491 1.332487 -2.116905
N 0.249684 -1.084358 0.049693
N 3.012654 -0.197842 -0.130222
C 0.794178 -0.056952 0.978767
C 1.333630 -2.000449 -0.396821
C 1.935119 0.723490 0.305964
C 2.464669 -1.206106 -1.069278
C -0.905764 -1.820929 0.610050
C -2.196656 -0.969173 0.637329
C 4.201706 0.508110 -0.666406
C -2.454347 -0.414542 -0.771349
C 5.110828 1.024686 0.456988
H -0.008691 0.651330 1.253178
H 1.177350 -0.530475 1.916459
H 1.761588 -2.573484 0.462195
H 0.910009 -2.723613 -1.118395
H 1.517050 1.298349 -0.559653
H 2.345120 1.452944 1.027303
H 3.274268 -1.901064 -1.358517
H 2.065131 -0.731373 -2.001451
H -0.734079 -2.188639 1.649858
H -1.103782 -2.707783 -0.019961
H -2.084630 -0.120153 1.342380
H 3.928859 1.361853 -1.332318
H 4.789949 -0.201752 -1.275865
H -1.603779 0.154499 -1.176201
H -2.832369 -1.180668 -1.468290
H 5.458127 0.167761 1.069341
H 4.563866 1.732129 1.115924
H -4.092731 -1.327889 1.182485
H 6.878877 2.023231 0.459641
H -3.399496 2.989046 0.227218


