%chk=000129581.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129581

0 1
 S    1.023400       2.175500     -0.3732000    
 F    1.608000      -2.825000      0.3402000    
 O   -3.374600      -2.491700      0.2199000    
 O   -5.706600      -1.573800     -0.5735000    
 O   -6.170100      0.4632000      0.3572000    
 N   -2.073500       1.356600     -0.1780000    
 N    5.406600      2.9100001E-02 -1.7500000E-02
 C   -1.665400       2.775400     -0.1728000    
 C   -1.099900      0.3334000     -7.1000002E-02
 C  -0.4287000       3.020900      -1.029200    
 C   0.2925000      0.5645000     -0.1141000    
 C   -1.527900      -1.011100      8.0499999E-02
 C    1.198500     -0.5013000      3.4600001E-02
 C   -1.552000       3.292900       1.266300    
 C   -3.418100       1.016600     -0.1644000    
 C   -2.978400      -1.339300      9.5600002E-02
 C   -3.927400     -0.2133000     -4.7400001E-02
 C  -0.6162000      -2.065900      0.2182000    
 C   0.7464000      -1.806000      0.2019000    
 C    2.643500     -0.3186000      1.6600000E-02
 C    3.330600     -0.3868000      -1.184500    
 C    3.321200     -7.8500003E-02   1.200700    
 C   -5.381900     -0.3718000     -5.1800001E-02
 C    4.703900     -0.2070000      -1.148100    
 C    4.695000      8.7499999E-02   1.130400    
 C    5.485000     -0.2728000      -2.418100    
 C    5.466100      0.3471000       2.381700    
 H   -2.463700       3.364000     -0.6474000    
 H  -0.5995000       2.675500      -2.055400    
 H  -0.2067000       4.092100      -1.079100    
 H  -0.8500000       2.708900       1.869900    
 H   -1.228800       4.339000       1.278200    
 H   -2.524200       3.238800       1.769200    
 H   -4.067000       1.882300     -0.2579000    
 H  -0.9505000      -3.092400      0.3401000    
 H    2.818200     -0.5748000      -2.123300    
 H    2.801200     -2.1700000E-02   2.152300    
 H    6.552000     -0.1115000      -2.232700    
 H    5.368400      -1.255400      -2.886100    
 H    5.143300      0.4987000      -3.115300    
 H    5.119700       1.270000       2.857500    
 H    5.345000     -0.4847000       3.082900    
 H    6.534700      0.4572000       2.169700    
 H   -6.676900      -1.717300     -0.5930000    


%chk=000129581-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129581

0 1
S 1.017538 2.240335 -0.105052
F 1.570491 -2.920074 -0.237936
O -3.424340 -2.617289 -0.326277
O -6.001969 -1.542144 -0.380736
O -6.190306 0.755590 -0.182596
N -2.101267 1.346477 -0.032027
N 5.503215 0.061703 -0.056903
C -1.739575 2.780087 0.226983
C -1.128159 0.308098 -0.108004
C -0.528474 3.176697 -0.625929
C 0.285791 0.554551 -0.103644
C -1.608971 -1.038348 -0.203378
C 1.206262 -0.528671 -0.138657
C -1.565595 3.045608 1.737159
C -3.436459 1.042593 -0.080263
C -3.072788 -1.398384 -0.249431
C -3.972660 -0.237506 -0.197946
C -0.691847 -2.110633 -0.255959
C 0.670211 -1.838204 -0.213086
C 2.687660 -0.324220 -0.109089
C 3.503007 -0.768261 -1.177253
C 3.316586 0.306807 0.991756
C -5.455644 -0.272228 -0.248848
C 4.903376 -0.560528 -1.121450
C 4.722860 0.486179 0.985910
C 5.812129 -1.023029 -2.241740
C 5.435031 1.155138 2.144045
H -2.601147 3.371594 -0.137158
H -0.712918 2.986581 -1.695653
H -0.282796 4.239855 -0.476588
H -0.717649 2.474285 2.150203
H -1.373590 4.119687 1.910876
H -2.482118 2.764914 2.284091
H -4.132511 1.886159 -0.020433
H -1.086786 -3.128713 -0.318673
H 3.060334 -1.269811 -2.043421
H 2.729264 0.644768 1.851908
H 6.850666 -0.738632 -2.013429
H 5.764518 -2.120985 -2.366449
H 5.521874 -0.571203 -3.208492
H 5.038671 2.170985 2.328390
H 5.307387 0.578407 3.079357
H 6.510297 1.227653 1.920036
H -6.994400 -1.447389 -0.404414


