%chk=000105446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105446

0 1
 S    2.458200      0.7130000     -0.7957000    
 F   -1.444500      0.8108000       1.704600    
 F   -1.257700       2.802900      0.8622000    
 F  -0.2620000       1.816500      -1.460400    
 F  -0.4700000     -0.2295000     -0.7559000    
 F   -2.864500       2.221800      -1.178100    
 F   -3.725400       1.896500      0.7919000    
 F    1.269800       2.434200      0.7186000    
 F    1.145200      0.3748000       1.410300    
 F   -4.574000      0.2288000      -1.100600    
 F   -2.560800     -0.4327000      -1.570700    
 F   -2.252000      -1.262700       1.094100    
 F   -4.293700     -0.6149000       1.493000    
 F   -5.194800      -2.238100     -0.5592000    
 F   -4.054300      -3.287900      0.9771000    
 F   -3.141800      -2.857500     -0.9556000    
 O    2.532400       1.707200      -1.848900    
 O    2.354100     -0.6986000      -1.111400    
 N    3.789700      0.9526000      0.2511000    
 N    6.399500      -1.488400     -0.3502000    
 C   -1.445700       1.492200      0.5324000    
 C  -0.2755000       1.045500     -0.3346000    
 C   -2.827200       1.386500     -9.9900000E-02
 C    1.107600       1.149000      0.2922000    
 C   -3.337800      2.7400000E-02 -0.5570000    
 C   -3.458500      -1.046300      0.5133000    
 C    4.170700     -0.1215000       1.185900    
 C    5.658900     -3.5900000E-02   1.516100    
 C    6.588300     -0.2023000      0.3100000    
 C   -3.970000      -2.367900     -6.8999999E-03
 C    6.688200      -2.588400      0.5717000    
 C    7.247600      -1.587000      -1.539500    
 H    3.955900       1.907200      0.5946000    
 H    3.932000      -1.108000      0.7801000    
 H    3.594500      8.1000002E-03   2.108400    
 H    5.860000      0.9537000       1.948800    
 H    5.902100     -0.7491000       2.311300    
 H    7.627200     -7.9599999E-02  0.6443000    
 H    6.392500      0.6110000     -0.4000000    
 H    7.679100      -2.498500       1.031900    
 H    6.653400      -3.547700      4.0899999E-02
 H    5.934300      -2.672300       1.360000    
 H    8.314000      -1.526700      -1.293300    
 H    7.010700     -0.7858000      -2.248500    
 H    7.066900      -2.531500      -2.064600    


%chk=000105446-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105446

0 1
S 2.690904 0.305752 -0.860417
F -1.497800 -0.844667 1.502337
F -1.037990 1.260647 2.270451
F -0.412740 1.910728 -0.610450
F -0.379655 -0.368302 -0.881247
F -2.823783 2.395522 0.517427
F -3.665182 0.814373 1.918271
F 1.546167 1.845856 1.234028
F 1.334173 -0.404861 1.566134
F -4.895812 1.038881 -0.520858
F -2.936531 0.680204 -1.642334
F -2.783993 -1.868609 -0.850895
F -4.283974 -1.599485 0.851984
F -6.366091 -1.285123 -0.873836
F -5.083092 -3.014488 -1.568615
F -4.993253 -1.031669 -2.669676
O 2.198740 1.022329 -2.222310
O 3.052908 -1.262061 -0.742164
N 4.087478 1.238504 -0.257147
N 6.658253 -1.533218 0.446371
C -1.417899 0.515221 1.124250
C -0.259358 0.680252 0.063188
C -2.875397 1.004053 0.759631
C 1.180105 0.625831 0.636630
C -3.648341 0.367349 -0.463278
C -3.947813 -1.179909 -0.453056
C 4.815021 0.811703 0.958189
C 6.338022 0.931903 0.719084
C 6.838903 -0.209966 -0.194594
C -5.121921 -1.626403 -1.408702
C 7.747002 -1.883114 1.379223
C 6.353327 -2.624450 -0.504337
H 3.954157 2.242812 -0.439571
H 4.609546 -0.261777 1.140231
H 4.486322 1.397974 1.837852
H 6.590520 1.914243 0.273863
H 6.838605 0.885903 1.706095
H 7.903995 -0.023077 -0.476633
H 6.249066 -0.189121 -1.129029
H 8.726587 -2.053787 0.864496
H 7.484744 -2.805071 1.928410
H 7.891346 -1.079960 2.123734
H 7.191515 -2.846329 -1.210977
H 5.453261 -2.364493 -1.086810
H 6.132557 -3.549200 0.058857


