%chk=000097561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097561

0 1
 S   -1.562100      0.7558000      -1.157300    
 O   -1.944100       2.154100      -1.087500    
 O   -1.659600      5.1600002E-02  -2.422500    
 O   -5.032200      0.2633000       1.017500    
 O   -4.298000      -2.201100     -0.2653000    
 O    4.871900      -1.574200     -0.4181000    
 N   -2.403100     -0.1304000      5.9799999E-02
 N    4.079600      0.3809000      0.6346000    
 C   -2.673300      0.5516000       1.351100    
 C   -2.044100      -1.558700      0.2505000    
 C   0.1225000      0.6437000     -0.6223000    
 C   -4.028700       1.232100       1.293600    
 C   -3.266800      -2.334800      0.7045000    
 C   0.8995000     -0.4120000      -1.062200    
 C   0.6253000       1.614500      0.2241000    
 C    2.752600      0.4694000      0.2129000    
 C    2.226200     -0.4999000     -0.6409000    
 C    1.952000       1.526600      0.6454000    
 C    5.027300     -0.5987000      0.3093000    
 C    6.355500     -0.3339000      0.9728000    
 H   -1.897700       1.291600       1.567600    
 H   -2.649600     -0.1535000       2.188300    
 H   -1.229700      -1.658200      0.9758000    
 H   -1.707400      -1.977500     -0.7040000    
 H   -4.260900       1.699900       2.255000    
 H   -4.074300       2.004400      0.5201000    
 H   -3.025300      -3.398500      0.8000000    
 H   -3.658000      -2.003600       1.669300    
 H   0.5071000      -1.177400      -1.724300    
 H   1.9800000E-02   2.445300      0.5721000    
 H    2.782900      -1.347000      -1.016600    
 H    2.349000       2.289000       1.311000    
 H    4.388100       1.125600       1.256300    
 H   -4.858800     -8.6300001E-02  0.1267000    
 H   -3.952700      -2.534900      -1.110800    
 H    6.757800      0.6218000      0.6254000    
 H    7.061300      -1.130000      0.7202000    
 H    6.228700     -0.3045000       2.058700    


%chk=000097561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097561

0 1
S -1.537911 0.712491 -0.485331
O -1.946384 2.286688 -0.431181
O -1.842069 -0.233878 -1.813094
O -5.531203 -0.148464 0.551656
O -3.933741 -1.705921 -0.900905
O 5.137037 -1.502891 -0.796204
N -2.269340 -0.076664 1.026884
N 4.460129 0.370800 0.447036
C -3.394133 0.685937 1.640572
C -2.229953 -1.557958 0.969717
C 0.309649 0.568391 -0.202709
C -4.672542 0.993465 0.808700
C -3.432256 -2.310349 0.335075
C 1.023564 -0.443517 -0.863212
C 0.919634 1.516386 0.637541
C 3.064142 0.396525 0.196397
C 2.416079 -0.536963 -0.660657
C 2.307768 1.423005 0.834020
C 5.418751 -0.535081 -0.034281
C 6.843485 -0.260623 0.436278
H -2.981765 1.649143 1.996382
H -3.681006 0.088522 2.528846
H -2.112953 -1.910759 2.014296
H -1.296715 -1.834363 0.442082
H -5.274564 1.696145 1.414681
H -4.381371 1.519785 -0.124001
H -3.122807 -3.359991 0.153630
H -4.290787 -2.306833 1.027823
H 0.507155 -1.124511 -1.547311
H 0.331908 2.312411 1.104405
H 3.007037 -1.309377 -1.154898
H 2.808935 2.151928 1.482529
H 4.810707 1.110982 1.059148
H -5.116950 -0.699246 -0.190328
H -3.187163 -1.275073 -1.431620
H 7.486524 -0.100948 -0.446273
H 7.225938 -1.154233 0.958541
H 6.937869 0.611141 1.106565


