%chk=000050095.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050095

0 1
 S    3.567000     -0.4318000      -2.050400    
 S    5.012000      0.7467000      0.2274000    
 F  -0.9114000     -7.4400000E-02  -1.223800    
 O  -5.8400001E-02   2.336900       1.297200    
 O   -5.737800     -0.3042000      -1.809900    
 C    2.171500      0.2942000      0.4049000    
 C    1.293700     -0.9750000      0.2933000    
 C  -0.1240000     -0.8115000      0.8687000    
 C  -0.8585000      0.3404000      0.1000000    
 C    3.521900     -0.2535000     -0.1988000    
 C    1.459500       1.430500     -0.3633000    
 C  -1.3600000E-02   1.650600      5.5000000E-02
 C    2.191200      -2.080600      0.8449000    
 C   -2.365800      0.4943000      0.5476000    
 C    3.625200      -1.670000      0.4397000    
 C  -0.8980000      -2.139100      0.7537000    
 C    2.371200      0.7356000       1.888500    
 C   -2.352700      -2.002800       1.186900    
 C   -3.022400     -0.8862000      0.4277000    
 C   -2.540400      0.9847000       2.002800    
 C   -3.071000       1.516500     -0.3326000    
 C   -4.101000      -1.136200     -0.3312000    
 C   -4.143800       1.273400      -1.091800    
 C   -4.743000     -7.2999999E-02  -1.130900    
 C    5.185500      -1.215700      -2.153900    
 C    4.543400       2.250000     -0.6516000    
 H    1.152900      -1.210300     -0.7728000    
 H  -6.4000003E-02 -0.5632000       1.932800    
 H    1.448100       1.216900      -1.437000    
 H    1.985800       2.377700     -0.2310000    
 H  -0.4486000       2.323100     -0.6933000    
 H    1.928800      -3.058400      0.4271000    
 H    2.110800      -2.155600       1.935200    
 H    4.245600      -1.671500       1.345000    
 H    4.021900      -2.458400     -0.2043000    
 H  -0.4192000      -2.906400       1.373400    
 H  -0.8617000      -2.503800     -0.2814000    
 H    2.991700      3.5300002E-02   2.456800    
 H    2.852200       1.718200       1.947300    
 H    1.434000      0.8188000       2.441700    
 H   -2.409500      -1.807900       2.263900    
 H   -2.862100      -2.960300       1.023000    
 H   -1.899200      0.4476000       2.708000    
 H   -2.322900       2.052600       2.112300    
 H   -3.575600      0.8494000       2.343300    
 H   -2.689300       2.535100     -0.3252000    
 H   0.4266000       3.173100       1.193600    
 H   -4.533600      -2.128700     -0.4005000    
 H   -4.604000       2.055100      -1.684800    
 H    5.550300      -1.744000      -1.273000    
 H    5.930600     -0.4628000      -2.430900    
 H    5.154300      -1.940600      -2.973500    
 H    4.013900       2.921300      2.8700000E-02
 H    3.975800       2.132000      -1.573400    
 H    5.469900       2.767000     -0.9237000    


%chk=000050095-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050095

0 1
S 3.469481 -0.425667 -2.002248
S 5.075442 0.836447 0.388347
F -0.965240 -0.228219 -1.300987
O -0.233611 2.427772 1.114228
O -5.866295 -0.161520 -1.821847
C 2.134327 0.339164 0.405858
C 1.309212 -0.990041 0.346303
C -0.128452 -0.849680 0.890101
C -0.875627 0.268122 0.110678
C 3.537642 -0.193579 -0.089620
C 1.407543 1.374024 -0.486236
C -0.079133 1.592957 -0.098304
C 2.235506 -2.044188 1.000441
C -2.385456 0.433174 0.566740
C 3.684403 -1.569553 0.644447
C -0.891239 -2.195406 0.767202
C 2.289088 0.868446 1.859868
C -2.399204 -2.087805 1.117565
C -3.056895 -0.933683 0.389219
C -2.511768 0.846860 2.079879
C -3.064817 1.534197 -0.227768
C -4.178137 -1.094903 -0.375684
C -4.185534 1.348666 -0.977618
C -4.818893 0.013853 -1.113469
C 5.099817 -1.310418 -2.305816
C 4.870438 2.389083 -0.652613
H 1.215426 -1.252588 -0.726118
H -0.090870 -0.546791 1.954668
H 1.418274 1.032946 -1.537827
H 1.916987 2.359402 -0.468721
H -0.567199 2.115361 -0.946776
H 2.036773 -3.059757 0.617974
H 2.093029 -2.072009 2.097676
H 4.293073 -1.439910 1.559013
H 4.217048 -2.296758 0.011405
H -0.413442 -2.944117 1.426013
H -0.791086 -2.556845 -0.273400
H 2.849423 0.163878 2.496891
H 2.856380 1.816253 1.863309
H 1.305495 1.057543 2.318386
H -2.504814 -1.947256 2.213254
H -2.910960 -3.034490 0.867950
H -2.016952 0.124107 2.749940
H -2.058900 1.834829 2.244132
H -3.582892 0.882026 2.344975
H -2.635790 2.537487 -0.105846
H 0.447968 3.145094 1.082628
H -4.652578 -2.078634 -0.480491
H -4.673957 2.176377 -1.504976
H 5.009741 -2.390639 -2.114467
H 5.868288 -0.856249 -1.658017
H 5.351019 -1.137887 -3.364054
H 4.212900 3.118903 -0.154792
H 4.462051 2.094679 -1.634392
H 5.876768 2.818039 -0.779604


