%chk=000046165.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046165

0 1
 F    7.805600      -1.030500     -0.2420000    
 F    6.408100      -1.164600      -1.895100    
 F    7.011900      0.7835000      -1.141100    
 O   -3.663600       3.640400     -0.5518000    
 O   -4.149300      0.9166000     -0.2754000    
 O   -3.182600     -0.7277000      -2.163700    
 N  -0.6639000       1.470300     -0.3425000    
 N    1.965000      0.6019000      0.3600000    
 C   0.2626000      0.9961000      -1.378000    
 C   8.3200000E-02   2.149500      0.7229000    
 C    1.278900      1.1000000E-02 -0.7959000    
 C    1.094700       1.203500       1.374900    
 C   -1.663400       2.367800     -0.9208000    
 C   -2.711200       2.800900      0.1074000    
 C    3.201300      6.4800002E-02  0.7360000    
 C   -3.454600       1.628600      0.7439000    
 C    4.291700      5.7300001E-02 -0.1569000    
 C    3.393400     -0.4851000       2.019300    
 C    5.523900     -0.4779000      0.2185000    
 C    4.625500      -1.020200       2.394700    
 C    5.690800      -1.016600       1.494300    
 C    6.662800     -0.4750000     -0.7439000    
 C   -4.862900     -0.1832000      0.1197000    
 C   -4.567400      -1.442800     -0.3931000    
 C   -5.889900     -2.1800000E-02   1.045300    
 C   -5.305200      -2.550900      2.3399999E-02
 C   -6.627600      -1.129900       1.461900    
 C   -3.495300      -1.628400      -1.361200    
 C   -6.335400      -2.394400      0.9509000    
 C   -2.727100      -2.943500      -1.411700    
 H   0.7924000       1.839500      -1.841000    
 H  -0.2929000      0.4831000      -2.172500    
 H  -0.5703000       2.486100       1.532600    
 H   0.6051000       3.032700      0.3303000    
 H    1.983600     -0.2611000      -1.590000    
 H   0.7731000     -0.9115000     -0.4821000    
 H   0.5627000      0.4156000       1.923700    
 H    1.685000       1.781000       2.097200    
 H   -2.174200       1.875000      -1.758300    
 H   -1.194500       3.261600      -1.355700    
 H   -2.265400       3.423700      0.8883000    
 H   -2.769800      0.9571000       1.274400    
 H   -4.173700       2.031500       1.466400    
 H    4.179100      0.4859000      -1.151000    
 H    2.583100     -0.5173000       2.743400    
 H   -4.314300       3.925100      0.1125000    
 H    4.754800      -1.442400       3.387000    
 H    6.642500      -1.438800       1.804900    
 H   -6.146600      0.9568000       1.440300    
 H   -5.110900      -3.545900     -0.3670000    
 H   -7.433200      -1.007500       2.179900    
 H   -6.912900      -3.256300       1.272200    
 H   -1.711200      -2.748000      -1.768500    
 H   -2.644100      -3.384300     -0.4147000    
 H   -3.227100      -3.634500      -2.094500    


%chk=000046165-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046165

0 1
F 6.737898 -2.890836 0.376806
F 5.083447 -3.559609 1.768229
F 4.642032 -3.236416 -0.427521
O -3.965065 3.584830 -0.208910
O -3.717385 0.587280 -0.128958
O -2.680631 -0.378649 -2.510096
N -0.634159 1.937052 0.067315
N 2.053235 1.023764 0.629248
C 0.039193 0.978480 -0.841412
C 0.363857 2.863321 0.641344
C 1.085787 0.151452 -0.075662
C 1.410597 2.078301 1.449479
C -1.803960 2.613400 -0.541112
C -2.936101 2.799605 0.488906
C 3.331621 0.537711 0.962885
C -3.453652 1.456719 1.025667
C 3.717740 -0.805843 0.667305
C 4.316521 1.376810 1.578857
C 5.024173 -1.259012 0.947253
C 5.610998 0.902633 1.856639
C 5.991869 -0.421038 1.544476
C 5.365348 -2.693240 0.665918
C -4.173124 -0.705689 0.079663
C -4.249879 -1.555802 -1.075352
C -4.606458 -1.181685 1.344618
C -4.837666 -2.839680 -0.919859
C -5.150948 -2.477097 1.466463
C -3.667993 -1.164142 -2.405062
C -5.282969 -3.309342 0.332431
C -4.274196 -1.788904 -3.663700
H 0.551479 1.509023 -1.683083
H -0.720649 0.305232 -1.273889
H -0.139657 3.580035 1.316758
H 0.881536 3.452463 -0.158157
H 1.625161 -0.468725 -0.811304
H 0.568718 -0.525576 0.641482
H 0.906436 1.616050 2.328558
H 2.168852 2.781417 1.826084
H -2.198761 1.992471 -1.361490
H -1.550766 3.613098 -0.958666
H -2.560770 3.364351 1.373842
H -2.668511 0.997228 1.657674
H -4.380834 1.602675 1.621485
H 3.007044 -1.508954 0.228613
H 4.084158 2.418501 1.816826
H -4.757194 3.691091 0.376377
H 6.339258 1.580998 2.314087
H 7.002032 -0.785566 1.747748
H -4.528542 -0.546516 2.231325
H -4.918792 -3.494786 -1.793342
H -5.479170 -2.831401 2.449991
H -5.714377 -4.310725 0.425305
H -3.923360 -1.221090 -4.539185
H -3.935625 -2.836550 -3.781307
H -5.377498 -1.792320 -3.633788


