%chk=000080352.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080352

0 1
 F   -8.106400      -1.712300      2.0999999E-03
 F   -7.614400      0.1381000       1.021000    
 F   -7.554900      4.7100000E-02  -1.150800    
 O   -1.598100       3.054600     -7.4600004E-02
 O   -1.367900      -3.374000      0.1860000    
 O    3.537100       1.611700      7.4000001E-02
 O    2.900900      -2.997700     -0.8993000    
 N   -2.444700      0.5150000      1.2800000E-02
 N    2.984600     -0.9033000      0.1634000    
 C   -1.068800      0.2316000      4.7600001E-02
 C  -7.6700002E-02   1.239800      2.4499999E-02
 C    1.278600      0.8779000      6.2500000E-02
 C  -0.6648000      -1.119400      0.1086000    
 C    1.654200     -0.4702000      0.1230000    
 C   -3.456400     -0.4532000      3.3799998E-02
 C   0.6856000      -1.468200      0.1460000    
 C   -3.125700      -1.813700      9.3900003E-02
 C  -0.4307000       2.685500     -3.9500002E-02
 C   -1.693600      -2.194900      0.1336000    
 C    2.346900       1.899900      4.0300000E-02
 C   0.6400000       3.702800     -6.1999999E-02
 C    1.980000       3.324500     -2.3499999E-02
 C   -4.805900     -8.5199997E-02 -4.4999998E-03
 C   -4.122900      -2.793300      0.1154000    
 C   -5.804500      -1.060500      1.6700000E-02
 C   0.3037000       5.061800     -0.1227000    
 C    2.985400       4.299600     -4.5400001E-02
 C   -5.463200      -2.411200      7.6600000E-02
 C    1.306700       6.031600     -0.1447000    
 C    2.645800       5.651000     -0.1063000    
 C    3.513200      -2.099300     -0.3321000    
 C   -7.239900     -0.6567000     -2.4700001E-02
 C    4.971000      -2.287300     -0.1116000    
 C    5.679900      -3.080000     -0.9895000    
 C    5.566900      -1.662600      0.9638000    
 C    7.048100      -3.256000     -0.7825000    
 C    6.935100      -1.838400       1.170600    
 C    7.675700      -2.635000      0.2974000    
 H   -2.731500       1.483500     -3.1599998E-02
 H   0.9469000      -2.516200      0.2456000    
 H   -5.079800      0.9668000     -5.1100001E-02
 H   -3.876500      -3.850200      0.1619000    
 H    3.654900     -0.1822000      0.4101000    
 H  -0.7329000       5.387100     -0.1538000    
 H    4.037900       4.030600     -1.6300000E-02
 H   -6.228900      -3.182100      9.3699999E-02
 H    1.042700       7.084000     -0.1919000    
 H    3.425900       6.406500     -0.1235000    
 H    5.208200      -3.565500      -1.838500    
 H    5.019800      -1.062900       1.684100    
 H    7.625100      -3.875400      -1.462800    
 H    7.422900      -1.361400       2.015700    
 H    8.740800      -2.773200      0.4593000    


%chk=000080352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080352

0 1
F -8.232494 -1.509161 -0.107033
F -7.585388 0.330907 1.052650
F -7.567122 0.359316 -1.209182
O -1.740029 2.958190 0.081707
O -1.462861 -3.536566 -0.100132
O 3.597786 1.557878 0.106781
O 2.895035 -3.303681 -0.049705
N -2.451080 0.498361 0.002760
N 3.005784 -0.954298 0.024303
C -1.111658 0.157241 0.008992
C -0.096887 1.176619 0.050717
C 1.290804 0.796354 0.056599
C -0.731654 -1.229329 -0.026250
C 1.651721 -0.604860 0.019631
C -3.480718 -0.440373 -0.036859
C 0.620870 -1.589011 -0.020795
C -3.180199 -1.838085 -0.073245
C -0.495349 2.598107 0.086583
C -1.771376 -2.302160 -0.069099
C 2.337208 1.847448 0.100182
C 0.557220 3.638303 0.130023
C 1.932089 3.272474 0.137117
C -4.830953 -0.004273 -0.040709
C -4.243011 -2.775215 -0.112977
C -5.862102 -0.959000 -0.080556
C 0.191184 5.007163 0.164985
C 2.928370 4.280756 0.179661
C -5.579672 -2.351214 -0.117200
C 1.186182 6.002776 0.206865
C 2.558225 5.638684 0.214377
C 3.581892 -2.237706 -0.009967
C -7.284219 -0.466328 -0.085900
C 5.087663 -2.270466 0.003585
C 5.690366 -3.556288 -0.030173
C 5.918344 -1.116857 0.046348
C 7.092124 -3.692168 -0.021516
C 7.322756 -1.256885 0.054954
C 7.914257 -2.541102 0.021161
H -2.620210 1.533693 0.031069
H 0.885654 -2.649286 -0.048497
H -5.061236 1.065885 -0.011899
H -3.980156 -3.837201 -0.140161
H 3.622970 -0.114252 0.057133
H -0.873168 5.259432 0.158490
H 3.977970 3.973076 0.184558
H -6.399228 -3.073269 -0.147723
H 0.901495 7.059756 0.233892
H 3.329287 6.415376 0.247173
H 5.031438 -4.429975 -0.063094
H 5.503256 -0.103360 0.073293
H 7.543869 -4.689534 -0.048027
H 7.955231 -0.363221 0.087942
H 9.005120 -2.643169 0.027968


