%chk=000077476.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077476

0 1
 S    3.320000      0.4637000     -0.7524000    
 F  -0.9535000       2.815400     -0.7780000    
 F   -1.859000       1.187400      -1.888700    
 F   -1.763900       1.791600       1.571500    
 F   -3.328900       2.182400      0.1231000    
 F   0.7414000       1.014400      -1.749900    
 F  -0.2219000     -0.6245000     -0.7027000    
 F   -1.919000     -0.8833000       1.118400    
 F   -3.763000      9.3900003E-02   1.718400    
 F   0.2139000      0.6514000       1.719500    
 F    1.186700       2.297800      0.6854000    
 F   -2.809900     -0.8412000      -1.544200    
 F   -4.655800      9.9200003E-02 -0.8710000    
 F    1.931500      -1.138000      0.7989000    
 F    2.864200      0.5497000       1.814000    
 F   -3.205100      -2.908900      0.2229000    
 F   -4.832900      -2.611100      -1.196300    
 F   -5.071600      -1.995200      0.8837000    
 O    3.720000       1.909500     -0.7536000    
 O    7.949100      -1.560500     -0.7112000    
 O    6.583700      -1.650300       1.102700    
 N    4.501200     -0.5692000     -0.1823000    
 C   -1.265200       1.488000     -0.6987000    
 C   -2.299300       1.330800      0.4064000    
 C   4.0100001E-02  0.7049000     -0.6222000    
 C   -2.891300     -4.5699999E-02  0.6769000    
 C   0.9186000      0.9694000      0.5973000    
 C   -3.634300     -0.7032000     -0.4764000    
 C    2.221700      0.1843000      0.6687000    
 C   -4.194800      -2.064000     -0.1403000    
 C    5.714300     -0.7620000     -0.9626000    
 C    6.763100      -1.376500     -7.7299997E-02
 H    4.185000      -1.470600      0.1757000    
 H    6.104800      0.1968000      -1.321000    
 H    5.523700      -1.427200      -1.810500    
 H    8.626900      -1.944600     -0.1150000    


%chk=000077476-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077476

0 1
S 3.811417 1.245215 -0.646346
F -0.601598 1.875194 -1.838916
F -1.460310 -0.230647 -1.998210
F -1.847056 2.223071 0.654539
F -3.155019 1.843357 -1.172910
F 1.184827 -0.092964 -1.426035
F -0.089671 -1.084589 0.193183
F -2.325614 -0.288491 1.648223
F -4.178556 0.956939 1.170582
F 0.289008 0.947751 1.921838
F 1.035028 2.378295 0.298496
F -2.808382 -2.032534 -0.314014
F -4.263146 -0.645797 -1.407359
F 2.596353 -0.798638 1.080644
F 2.986952 1.211272 2.080021
F -4.685653 -1.877101 1.988699
F -5.290293 -2.931685 0.071910
F -6.144646 -0.891308 0.548211
O 4.924996 2.029735 0.266437
O 7.842129 -1.738011 -0.406730
O 6.706599 -1.242499 -2.377931
N 4.469597 -0.405881 -0.986246
C -1.018598 0.758861 -1.082473
C -2.278669 1.226395 -0.252931
C 0.260317 0.158374 -0.369250
C -3.130244 0.195072 0.594770
C 1.020203 1.015632 0.706297
C -3.789580 -1.034764 -0.136630
C 2.494637 0.593625 0.928126
C -5.000872 -1.686689 0.637767
C 5.634974 -0.820234 -0.199144
C 6.753936 -1.268880 -1.127623
H 4.550567 -0.575194 -2.002419
H 5.382290 -1.649688 0.486114
H 6.001260 0.027505 0.423262
H 8.563317 -2.036097 -1.024754


