%chk=000129684.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129684

0 1
 S  -0.5636000      0.2679000      0.3277000    
 F    6.244000       1.716300     -0.3501000    
 F    6.106300      0.8634000       1.673600    
 F    8.570500      0.3039000     -0.7762000    
 F    8.434300     -0.5384000       1.233100    
 F    8.641600       1.617400      0.9651000    
 O    5.979400     -0.5338000     -0.1201000    
 O   -5.638100      -1.472800       1.817200    
 O   -5.544000       1.853300      -1.642500    
 O   -4.595500      -1.357200      -1.342600    
 N   -3.151700     -1.8700000E-02 -4.6000000E-02
 N  -0.2527000      -1.607300      -1.390400    
 N   -1.620100      -1.425100      -1.279900    
 C   -5.584900      0.1867000      8.3999999E-02
 C    1.848600     -0.7223000     -0.4810000    
 C   -6.144000     -0.3543000       1.224700    
 C   -6.095800       1.320800     -0.5156000    
 C    4.624900     -0.5956000     -0.2385000    
 C   0.4130000     -0.7879000     -0.6060000    
 C    2.451600      0.4217000      4.2199999E-02
 C    2.633700      -1.802800     -0.8828000    
 C   -4.395400     -0.4727000     -0.5176000    
 C    3.839700      0.4849000      0.1634000    
 C    4.021900      -1.739500     -0.7615000    
 C   -7.259700      0.2641000       1.788900    
 C   -7.211600       1.939100      4.8799999E-02
 C   -1.917500     -0.4770000     -0.4171000    
 C   -7.793600       1.410800       1.200900    
 C    6.569700      0.6493000      0.4187000    
 C    8.066400      0.5052000      0.4598000    
 C   -6.158500      -2.727200       1.382700    
 C   -4.518700       2.827800      -1.463000    
 H    1.897600       1.303800      0.3490000    
 H    2.186500      -2.706100      -1.290600    
 H    4.234500       1.407000      0.5733000    
 H    4.628600      -2.584500      -1.075500    
 H   -7.718000     -0.1410000       2.687200    
 H   -7.633400       2.832300     -0.4042000    
 H   -3.145900      0.7249000      0.6476000    
 H   -8.662300       1.892300       1.640400    
 H   -5.567300      -3.521700       1.846300    
 H   -7.199200      -2.833600       1.704900    
 H   -6.094200      -2.833300      0.2960000    
 H   -3.542000       2.339900      -1.420800    
 H   -4.676800       3.426200     -0.5594000    
 H   -4.530700       3.497200      -2.327900    


%chk=000129684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129684

0 1
S -0.494835 0.830638 0.077309
F 6.811280 1.345596 -1.575292
F 6.973420 1.605717 0.680467
F 8.813511 -0.715941 -1.476796
F 8.975891 -0.451785 0.772643
F 9.435933 1.287085 -0.610795
O 6.321361 -0.477982 -0.181145
O -6.634055 -2.006354 1.382237
O -4.637342 2.095146 -0.293987
O -4.292419 -1.985956 -0.118559
N -3.157880 0.020683 0.349042
N -0.031609 -1.790133 0.340589
N -1.417442 -1.683185 0.420873
C -5.624242 -0.009391 0.374211
C 2.079110 -0.532626 0.082396
C -6.773984 -0.723483 0.839076
C -5.803232 1.376915 0.059345
C 4.881423 -0.406184 -0.099501
C 0.621226 -0.637163 0.176259
C 2.739197 0.712256 -0.091297
C 2.863000 -1.720676 0.164753
C -4.330695 -0.767330 0.179685
C 4.143371 0.790237 -0.183217
C 4.262627 -1.659192 0.073701
C -8.047574 -0.108053 0.890980
C -7.072152 1.993477 0.104793
C -1.850313 -0.425332 0.303465
C -8.193885 1.237425 0.508758
C 7.108178 0.629109 -0.365467
C 8.601994 0.178847 -0.420401
C -7.039590 -3.150446 0.537593
C -4.765030 3.490159 -0.731850
H 2.156511 1.637830 -0.157299
H 2.352694 -2.678370 0.298787
H 4.629480 1.758611 -0.317570
H 4.878333 -2.560775 0.133611
H -8.894409 -0.687281 1.270734
H -7.195561 3.047393 -0.156233
H -3.330557 1.038922 0.339757
H -9.178075 1.715714 0.550536
H -7.012450 -4.024681 1.204658
H -8.064516 -3.006163 0.142095
H -6.310846 -3.271690 -0.281249
H -5.154735 4.127720 0.083235
H -5.419483 3.561802 -1.619391
H -3.744028 3.802291 -0.995340


