%chk=000156328.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156328

0 1
 S   -3.024400       2.388000      0.9303000    
 F    7.497100      -3.490900       1.035500    
 O   -2.855400       2.092600       2.386800    
 O   -5.460800      -2.241900      0.9005000    
 O   -6.889500      -3.856200      6.2600002E-02
 N   0.8822000       2.303400     -0.2063000    
 N   -6.606800      -1.827000      -1.048000    
 C    3.650500       1.352800     -0.3732000    
 C    2.449200      0.4349000     -0.6232000    
 C    3.260900       2.806000     -0.6640000    
 C    1.213300      0.9149000      0.1406000    
 C    1.998400       3.207500      0.1016000    
 C    4.850500      0.9275000      -1.214700    
 C  -0.3300000       2.730200      0.4922000    
 C    5.559400     -0.2548000     -0.6128000    
 C   -1.505700       1.859200      7.7100001E-02
 C    6.589900     -4.6500001E-02  0.2940000    
 C    5.173500      -1.539400     -0.9718000    
 C   -4.164400       1.114600      0.2490000    
 C    7.246700      -1.143200      0.8523000    
 C    5.830200      -2.635900     -0.4133000    
 C    6.866800      -2.437900      0.4987000    
 C   -4.298700     -6.9399998E-02  0.9403000    
 C   -4.836200       1.407700     -0.9309000    
 C   -5.164600     -0.9883000      0.3880000    
 C   -5.843200     -0.7217000     -0.7816000    
 C   -5.708900      0.4610000      -1.472600    
 C   -6.380000      -2.747000     -3.7000000E-02
 H    3.911000       1.293500      0.6934000    
 H    2.668400     -0.5884000     -0.3014000    
 H    2.220400      0.3935000      -1.696300    
 H    3.092700       2.940200      -1.740800    
 H    4.081300       3.477700     -0.3840000    
 H   0.4219000      0.2178000     -0.1459000    
 H    1.378400      0.8059000       1.220600    
 H    2.208700       3.217300       1.179300    
 H    1.737300       4.232500     -0.1883000    
 H    5.568700       1.754900      -1.293000    
 H    4.553900      0.7067000      -2.248400    
 H  -0.1901000       2.696700       1.581000    
 H  -0.5562000       3.772800      0.2332000    
 H   -1.681800       1.924200      -1.001900    
 H   -1.382900      0.8111000      0.3573000    
 H    6.892100      0.9575000      0.5785000    
 H    4.374300      -1.707700      -1.688100    
 H    8.053300     -0.9894000       1.563100    
 H    5.536000      -3.644100     -0.6898000    
 H   -3.766400     -0.2899000       1.857000    
 H   -4.697300       2.356600      -1.440900    
 H   -6.249100      0.6563000      -2.391100    
 H   -7.222300      -1.940100      -1.843700    


%chk=000156328-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156328

0 1
S -3.139179 2.419938 1.026361
F 7.650105 -3.632705 0.866549
O -2.834516 1.743222 2.532212
O -5.878190 -2.144527 0.968703
O -7.339300 -3.842596 0.163411
N 0.918360 2.219216 -0.012812
N -6.804956 -1.875221 -1.096588
C 3.757126 1.457544 -0.350725
C 2.619835 0.412279 -0.265186
C 3.183139 2.796887 -0.873696
C 1.433306 0.947162 0.559801
C 1.975757 3.262443 -0.036172
C 4.943206 0.980850 -1.240358
C -0.334751 2.675481 0.640650
C 5.667884 -0.243385 -0.699779
C -1.535121 1.952530 0.015150
C 6.557785 -0.124201 0.401160
C 5.462605 -1.530437 -1.260459
C -4.281337 1.134777 0.196298
C 7.224545 -1.248501 0.934992
C 6.118033 -2.672499 -0.746056
C 6.985647 -2.501597 0.344752
C -4.559469 0.004419 0.991334
C -4.835277 1.356730 -1.080585
C -5.424677 -0.924453 0.414018
C -5.995860 -0.744925 -0.875703
C -5.714227 0.396266 -1.645795
C -6.768637 -2.759452 -0.005793
H 4.146157 1.625732 0.677862
H 2.990769 -0.525291 0.189652
H 2.265623 0.173033 -1.288065
H 2.858125 2.669104 -1.925599
H 3.964276 3.582824 -0.857489
H 0.617606 0.201690 0.572457
H 1.757090 1.095135 1.623215
H 2.322969 3.513027 1.001065
H 1.547554 4.184600 -0.472138
H 5.657793 1.823166 -1.338540
H 4.555725 0.772680 -2.257354
H -0.331378 2.500240 1.742457
H -0.435330 3.765378 0.478375
H -1.718450 2.254178 -1.028724
H -1.474031 0.856539 0.104088
H 6.739303 0.862699 0.843727
H 4.784154 -1.643850 -2.114063
H 7.914594 -1.163763 1.779640
H 5.966333 -3.667116 -1.175435
H -4.109166 -0.084655 1.988498
H -4.600447 2.267931 -1.641725
H -6.151939 0.551058 -2.636274
H -7.366866 -2.073783 -1.921415


