%chk=000105449.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105449

0 1
 S    1.313300     -4.0800001E-02 -0.2384000    
 F  -0.5387000     -0.1699000       2.278800    
 F   -2.062800       1.147200       1.480900    
 F   0.3931000       1.993800       1.069200    
 F  -0.6552000       1.561100     -0.7819000    
 F   -2.651600      -1.483600       1.467500    
 F  -0.9062000      -1.948000      0.2782000    
 F   -1.793000     -0.4175000      -1.772000    
 F   -3.114400      -2.012900      -1.126700    
 F   -4.344800      0.1759000      -2.021100    
 F   -3.358400       1.452300     -0.5679000    
 F   -5.919600      0.8023000      0.1169000    
 F   -5.453700      -1.316200     -3.2699998E-02
 F   -4.470800     -9.3400002E-02   1.481600    
 O   0.9457000     -0.6876000      -1.484000    
 O    1.752600     -0.8356000      0.8931000    
 O    5.011200      4.1099999E-02  0.2167000    
 O    7.262900      0.4095000     -0.1499000    
 N    2.503400       1.149500     -0.5796000    
 C   -1.118700      0.2350000       1.111400    
 C  -6.8499997E-02  0.9725000      0.2916000    
 C   -1.827400     -0.9706000      0.5091000    
 C   -2.635800     -0.7850000     -0.7679000    
 C   -3.805500      0.1876000     -0.7673000    
 C    3.300700       1.691300      0.5476000    
 C    2.221300       2.173800      -1.614300    
 C   -4.920100     -9.7300000E-02  0.2089000    
 C    4.776100       1.441300      0.2941000    
 C    6.303800     -0.3327000     -9.6000005E-03
 C    6.350000      -1.808600     -5.9500001E-02
 C    7.510900      -2.434800     -0.2728000    
 H    3.010800       1.211400       1.487900    
 H    3.111000       2.763500      0.6714000    
 H    1.715600       1.720100      -2.471400    
 H    3.157500       2.605000      -1.981200    
 H    1.595300       2.973500      -1.208900    
 H    5.361900       1.862400       1.119400    
 H    5.092100       1.916000     -0.6421000    
 H    5.433100      -2.370500      7.8400001E-02
 H    7.544000      -3.518700     -0.3095000    
 H    8.444000      -1.900800     -0.4145000    


%chk=000105449-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105449

0 1
S 1.578152 -0.304184 0.011687
F -0.851323 0.314545 2.409005
F -2.317470 1.568387 1.188045
F 0.410727 2.138130 0.854414
F -0.545429 1.348063 -1.057166
F -3.033900 -1.072466 1.731915
F -1.134666 -1.839314 0.708395
F -1.926748 -0.880072 -1.711904
F -3.403578 -2.270797 -0.667308
F -4.519575 -0.440152 -2.323919
F -3.542083 1.316544 -1.241490
F -6.311597 0.845649 -0.788090
F -5.833604 -1.158997 0.159668
F -5.021507 0.757974 1.069268
O 1.350517 -1.000885 -1.425701
O 1.773578 -1.127893 1.387242
O 5.688269 0.252259 0.960088
O 6.026413 0.656798 -1.324943
N 2.979341 0.853441 -0.136743
C -1.348562 0.521537 1.100363
C -0.153820 0.996517 0.238970
C -2.101600 -0.805472 0.700163
C -2.875989 -0.956628 -0.669127
C -4.057485 0.012773 -1.066251
C 3.489011 1.392368 1.140232
C 2.964649 1.696729 -1.349475
C -5.320616 0.107967 -0.131695
C 5.020873 1.561016 1.093845
C 6.121873 -0.106256 -0.332074
C 6.702058 -1.469480 -0.301759
C 7.214428 -2.038504 -1.423830
H 3.230869 0.678372 1.942098
H 3.038907 2.379417 1.379128
H 2.444936 1.160273 -2.161001
H 4.015057 1.829246 -1.664713
H 2.483882 2.680244 -1.177563
H 5.359009 1.968441 2.060964
H 5.339991 2.222788 0.269999
H 6.684703 -1.983606 0.664070
H 7.638124 -3.047729 -1.409257
H 7.209286 -1.495443 -2.376052


