%chk=000039715.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039715

0 1
 S   -3.435300     -0.2686000      -1.231700    
 O    1.059500      -1.184200      0.5511000    
 O  -0.7655000      0.5567000     -0.6183000    
 O   -1.225900       1.414700       1.484000    
 N   -2.934700      0.4588000      0.2359000    
 C    1.724600      -2.291800     -5.3199999E-02
 C    1.445600      6.0699999E-02  0.1553000    
 C    2.441600      -3.092800       1.022900    
 C   0.7081000      -3.136600     -0.8059000    
 C   0.5643000      0.9444000     -0.4260000    
 C    2.769500      0.4593000      0.3406000    
 C   0.9380000       2.206500     -0.8321000    
 C    3.177600       1.731500     -6.0400002E-02
 C    2.261900       2.605000     -0.6467000    
 C   -1.612200      0.8578000      0.4564000    
 C   -3.973700      0.6794000       1.231100    
 C   -3.143500      -2.000800     -0.8029000    
 H    2.471400      -1.955900     -0.7855000    
 H    2.961300      -3.956000      0.5957000    
 H    3.173900      -2.473100       1.549900    
 H    1.733400      -3.450500       1.778500    
 H    1.184700      -3.992200      -1.294000    
 H   0.2021000      -2.536600      -1.569800    
 H  -6.7699999E-02  -3.509300     -0.1283000    
 H    3.494800     -0.2024000      0.8048000    
 H   0.2256000       2.886100      -1.289300    
 H    4.207800       2.042900      8.6000003E-02
 H    2.579500       3.595800     -0.9586000    
 H   -3.562000       1.139500       2.133500    
 H   -4.428100     -0.2779000       1.504400    
 H   -4.735300       1.346900      0.8159000    
 H   -3.329400      -2.628700      -1.678000    
 H   -3.816500      -2.311100      6.9999998E-04
 H   -2.110700      -2.144300     -0.4795000    


%chk=000039715-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039715

0 1
S -3.618779 0.258090 -1.011170
O 0.692985 -1.164202 -0.381303
O -0.912319 1.047053 -0.423823
O -0.829998 0.412681 1.853939
N -2.784392 0.152282 0.582873
C 1.443060 -2.355193 0.124795
C 1.344604 0.071930 -0.456075
C 1.793271 -2.165843 1.609504
C 0.503643 -3.536851 -0.132399
C 0.498659 1.215302 -0.475064
C 2.743278 0.259922 -0.565753
C 1.022516 2.507125 -0.635848
C 3.272791 1.561809 -0.719595
C 2.419673 2.686607 -0.763519
C -1.460905 0.516012 0.774551
C -3.556354 -0.399091 1.713009
C -2.826425 -1.224921 -1.871352
H 2.362680 -2.474874 -0.485903
H 2.287658 -3.073761 2.001081
H 2.470651 -1.308765 1.763454
H 0.873817 -1.975875 2.189508
H 0.986858 -4.481567 0.174674
H 0.246342 -3.604579 -1.203589
H -0.429019 -3.414511 0.446135
H 3.420559 -0.599355 -0.545225
H 0.330564 3.354706 -0.651993
H 4.356993 1.691705 -0.807514
H 2.832712 3.692780 -0.885697
H -2.916069 -0.379726 2.609017
H -3.862946 -1.440160 1.503745
H -4.459001 0.209265 1.896167
H -3.214806 -1.218483 -2.903760
H -3.112165 -2.159500 -1.365254
H -1.735436 -1.086813 -1.871114


