%chk=000123879.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123879

0 1
 S    3.175800       1.642200      -1.083500    
 F    6.516100      -2.657900       1.122500    
 O    3.440700       2.849000     -0.3235000    
 O    3.365200       1.629100      -2.521400    
 O   -4.880100      -4.453600      0.7787000    
 O   -4.412200      -4.005200      -1.396000    
 N   -2.734900     -0.2122000     -0.2510000    
 N    1.611800       1.086300     -0.7376000    
 C    1.210500      0.8450000      0.6764000    
 C   4.0300000E-02   1.782700       1.045600    
 C   -1.433500     -4.0399998E-02  0.1239000    
 C   -1.267500       1.260600      0.5495000    
 C   0.8543000     -0.6468000      0.8555000    
 C  -0.3814000      -1.085800      4.4500001E-02
 C   -2.529800       1.909200      0.4350000    
 C   -3.430000      0.9645000     -6.9799997E-02
 C   -3.302300      -1.438800     -0.7708000    
 C   -2.998900       3.209100      0.7130000    
 C   -4.776300       1.260400     -0.3123000    
 C   -3.874800      -2.352800      0.3136000    
 C   -4.343100       3.517400      0.4752000    
 C   -5.216300       2.556600     -2.9800000E-02
 C    4.180500      0.3483000     -0.4195000    
 C   -4.412100      -3.662200     -0.2222000    
 C    4.532100     -0.7172000      -1.229800    
 C    4.596900      0.4249000      0.8981000    
 C    5.325100      -1.738300     -0.7061000    
 C    5.390000     -0.5962000       1.422000    
 C    5.754000      -1.677800      0.6197000    
 H    2.034300       1.098000       1.347700    
 H   0.2190000       2.791600      0.6553000    
 H  -2.1700000E-02   1.860000       2.138600    
 H   0.6569000     -0.8256000       1.921100    
 H    1.704200      -1.283300      0.5829000    
 H  -0.7385000      -2.044600      0.4349000    
 H  -9.9799998E-02  -1.241800      -1.003400    
 H    1.012700      0.7087000      -1.480300    
 H   -4.073800      -1.178800      -1.504700    
 H   -2.522200      -1.959400      -1.338900    
 H   -2.330200       3.969100       1.107100    
 H   -5.467500      0.5199000     -0.7002000    
 H   -3.097300      -2.586500       1.049900    
 H   -4.692900      -1.840300      0.8328000    
 H   -4.708600       4.518500      0.6879000    
 H   -6.256800       2.817300     -0.2060000    
 H    4.201700     -0.7874000      -2.261500    
 H    4.334700       1.261400       1.538100    
 H    5.607200      -2.581500      -1.329600    
 H    5.726000     -0.5485000       2.453600    
 H   -5.216900      -5.310300      0.4397000    


%chk=000123879-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123879

0 1
S 2.955434 1.521456 -0.464419
F 7.948935 -1.851741 -0.479793
O 3.132299 2.576937 0.772311
O 2.665649 1.992730 -1.996812
O -6.051729 -3.895504 1.108465
O -5.008392 -4.099882 -0.957320
N -2.821273 -0.449473 -0.195001
N 1.601368 0.282376 -0.061639
C 1.027322 0.441617 1.314759
C -0.075323 1.534852 1.392265
C -1.579685 -0.309146 0.462635
C -1.331973 1.043734 0.711967
C 0.473157 -0.945925 1.740087
C -0.655014 -1.449276 0.798718
C -2.465094 1.788737 0.201363
C -3.385288 0.828908 -0.355147
C -3.469014 -1.709602 -0.566967
C -2.795139 3.167930 0.152800
C -4.608464 1.214014 -0.946455
C -4.482522 -2.175530 0.505772
C -4.014468 3.557708 -0.436498
C -4.910973 2.591691 -0.980342
C 4.503167 0.449199 -0.461466
C -5.170675 -3.464715 0.108469
C 4.770137 -0.333474 -1.597914
C 5.344124 0.509569 0.661606
C 5.943677 -1.117567 -1.604243
C 6.518718 -0.274775 0.656482
C 6.781879 -1.070269 -0.473676
H 1.860774 0.720970 1.985400
H 0.303245 2.469302 0.935856
H -0.266264 1.772423 2.459003
H 0.081193 -0.846128 2.770738
H 1.297844 -1.679487 1.756271
H -1.193700 -2.282680 1.292190
H -0.203322 -1.874595 -0.121276
H 0.888865 0.475014 -0.798179
H -3.980629 -1.587039 -1.537636
H -2.698766 -2.484014 -0.717842
H -2.111823 3.919810 0.563383
H -5.301674 0.481477 -1.375010
H -3.985316 -2.325953 1.482159
H -5.253473 -1.401094 0.677894
H -4.281008 4.619385 -0.482717
H -5.850163 2.925618 -1.435351
H 4.095388 -0.315011 -2.458927
H 5.096494 1.168853 1.499378
H 6.209365 -1.745934 -2.458458
H 7.216323 -0.268566 1.498180
H -6.493588 -4.740330 0.819836


