%chk=000059657.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059657

0 1
 S    4.071600       1.444500       1.188100    
 F    6.464100      -3.591500     -0.7753000    
 O   -2.588700      -1.284800     -0.2912000    
 N  -0.1779000       1.995300     -0.5260000    
 C   -1.262500       2.046300      -1.518300    
 C  -0.7337000       1.814900      0.8238000    
 C   -1.918100      0.6528000      -1.571300    
 C   -1.362200      0.4095000      0.8903000    
 C   -2.262900       3.186200      -1.248900    
 C   -1.704600       2.941800       1.223400    
 C   -2.382500      0.1248000     -0.2125000    
 C   -2.781400       3.250500      0.1859000    
 C   0.7473000       3.119500     -0.6240000    
 C    1.912200       2.936300      0.3496000    
 C    2.693300       1.664800      2.6500000E-02
 C   -3.856500      -1.733200     -4.0100001E-02
 C   -4.445800      -1.482300       1.195100    
 C   -4.546700      -2.437200      -1.022000    
 C   -5.738300      -1.940200       1.451100    
 C   -5.839100      -2.895000     -0.7658000    
 C    4.796100     -7.9800002E-02  0.5934000    
 C   -6.434800      -2.646500      0.4708000    
 C    4.032200      -1.242100      0.5671000    
 C    6.118100     -9.2799999E-02  0.1609000    
 C    4.596600      -2.430500      0.1035000    
 C    6.682500      -1.281200     -0.3028000    
 C    5.921700      -2.450000     -0.3314000    
 H  -0.8308000       2.214600      -2.514200    
 H   4.8200000E-02   1.775600       1.587100    
 H   -2.762800      0.6529000      -2.271700    
 H   -1.196800     -5.9999999E-02  -1.996300    
 H  -0.5585000     -0.3387000      0.8269000    
 H   -1.822400      0.2476000       1.872700    
 H   -1.777800       4.143200      -1.480400    
 H   -3.112900       3.111000      -1.938000    
 H   -1.127800       3.858300       1.402700    
 H   -2.184700       2.702100       2.180100    
 H   -3.324900      0.6197000      3.4699999E-02
 H   -3.190400       4.250500      0.3772000    
 H   -3.632800       2.577200      0.3119000    
 H   0.2650000       4.082100     -0.4222000    
 H    1.150100       3.177100      -1.643200    
 H    1.603500       2.981400       1.398400    
 H    2.581100       3.798100      0.2156000    
 H    3.094000       1.713500     -0.9919000    
 H    2.045700      0.7864000      9.4499998E-02
 H   -3.914000     -0.9438000       1.973700    
 H   -4.086700      -2.632600      -1.986600    
 H   -6.201400      -1.749000       2.414800    
 H   -6.381700      -3.445000      -1.529200    
 H   -7.441000      -3.003500      0.6703000    
 H    3.001100      -1.253400      0.9104000    
 H    6.725400      0.8087000      0.1760000    
 H    4.005400      -3.341400      8.3200000E-02
 H    7.714300      -1.297000     -0.6414000    


%chk=000059657-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059657

0 1
S 4.111513 1.158347 1.196334
F 5.594324 -4.176177 -1.235403
O -2.620458 -0.932417 -0.843486
N -0.228730 2.384664 -0.273461
C -1.120626 2.508958 -1.464247
C -1.048631 2.108282 0.944471
C -1.753827 1.118345 -1.736981
C -1.677397 0.696161 0.787191
C -2.141167 3.678911 -1.306651
C -2.072330 3.252843 1.229995
C -2.482041 0.516012 -0.521431
C -2.963268 3.601226 0.007877
C 0.797571 3.444065 -0.133056
C 2.023706 2.976533 0.692008
C 2.711104 1.762385 0.050585
C -3.596864 -1.698560 -0.186181
C -4.512001 -1.205628 0.779696
C -3.637945 -3.064770 -0.566462
C -5.462202 -2.085708 1.349020
C -4.587465 -3.928935 0.012294
C 4.527110 -0.455765 0.410065
C -5.508686 -3.446289 0.974783
C 3.556740 -1.480361 0.280778
C 5.859183 -0.689769 -0.010111
C 3.904806 -2.728357 -0.280784
C 6.228933 -1.941107 -0.554880
C 5.237717 -2.928434 -0.682355
H -0.476062 2.739804 -2.335089
H -0.359990 2.050559 1.809088
H -2.445546 1.171839 -2.598157
H -0.937380 0.423402 -2.006558
H -0.849168 -0.036567 0.758218
H -2.300493 0.460332 1.669723
H -1.570214 4.629556 -1.317805
H -2.819626 3.708340 -2.181548
H -1.502137 4.156274 1.527180
H -2.701034 2.983265 2.101144
H -3.500294 0.937956 -0.431545
H -3.469680 4.569838 0.184143
H -3.771878 2.854603 -0.097303
H 0.407330 4.384575 0.326912
H 1.135863 3.712415 -1.153564
H 1.713932 2.721785 1.724202
H 2.733284 3.823195 0.774614
H 3.159763 2.014917 -0.925340
H 1.986003 0.944532 -0.082091
H -4.498181 -0.158181 1.094697
H -2.923168 -3.419586 -1.315597
H -6.167202 -1.698184 2.093645
H -4.610282 -4.982129 -0.289748
H -6.246126 -4.119838 1.423609
H 2.532806 -1.313570 0.630745
H 6.603767 0.106391 0.085370
H 3.170245 -3.531153 -0.391377
H 7.252796 -2.143129 -0.882174


