%chk=000126243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126243

0 1
 S   -3.043800     -2.6699999E-02  -1.154700    
 O    1.774700       2.168600       1.168500    
 O    2.425900       2.182100      -1.009100    
 O    3.047000      -2.215800      0.4589000    
 O    3.467200     -5.8600001E-02  0.4233000    
 O   -3.169800      4.8300002E-02   1.486600    
 N    2.685600      -1.028300      0.2959000    
 N   -5.131400      0.3693000      0.3152000    
 C   0.8713000      0.5332000     -0.2424000    
 C    1.329700     -0.7699000     -4.8599999E-02
 C  -0.4631000      0.7602000     -0.5796000    
 C   -1.339000     -0.3160000     -0.7229000    
 C   0.4540000      -1.846000     -0.1919000    
 C  -0.8803000      -1.619100     -0.5291000    
 C    1.757100       1.682900     -0.1014000    
 C   -3.785000      0.1361000      0.4314000    
 H  -0.8150000       1.779100     -0.7294000    
 H   0.7711000      -2.875900     -4.9500000E-02
 H   -1.548600      -2.470000     -0.6364000    
 H    2.372600       2.941500       1.255600    
 H   -5.581400      0.4299000     -0.5920000    
 H   -5.719500      0.4884000       1.133100    


%chk=000126243-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126243

0 1
S -3.023555 0.515586 -1.026730
O 2.736290 1.854368 0.942664
O 2.022602 2.757656 -1.080526
O 2.952007 -2.079682 1.034975
O 3.633586 -0.429115 -0.389716
O -3.732872 -1.273136 1.029292
N 2.725882 -1.064085 0.271517
N -5.425159 0.048505 0.110357
C 1.000239 0.706704 -0.240939
C 1.318099 -0.633192 0.097106
C -0.342361 1.016542 -0.548903
C -1.342805 0.016077 -0.504810
C 0.323088 -1.628062 0.173189
C -1.014246 -1.309597 -0.132242
C 1.972592 1.850572 -0.222277
C -4.132494 -0.396529 0.235571
H -0.597657 2.048831 -0.806795
H 0.611294 -2.647666 0.442374
H -1.783952 -2.081315 -0.084926
H 3.401687 2.593447 0.909091
H -5.678789 0.808455 -0.519550
H -6.144175 -0.381062 0.692778


