%chk=000178878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178878

0 1
 F   -5.234600       1.904300     -0.9672000    
 F   -3.531600       3.123600     -0.4038000    
 F   -3.606900       2.210800      -2.376000    
 F   -5.407300      -2.367700      0.9737000    
 F   -3.860000      -3.749700      0.3414000    
 F   -3.760200      -2.838400       2.313200    
 O    3.666800       1.766400      0.6822000    
 O    2.585400      -3.817200     -0.4805000    
 O    4.781900      0.2579000     -0.6358000    
 O    4.442900      -2.477200     -0.3809000    
 N   0.2515000     -0.5112000     -0.1164000    
 N   0.9451000      -1.655600     -0.2407000    
 C    1.208900      0.4171000     -4.1800000E-02
 C   -1.131300     -0.4416000     -8.5699998E-02
 C    2.503700     -0.1302000     -0.1179000    
 C   0.8830000       1.815100      0.1013000    
 C    2.298000      -1.482100     -0.2467000    
 C   -1.872100      -1.505900      0.4284000    
 C   -1.783400      0.6924000     -0.5703000    
 C   -3.265000      -1.436100      0.4580000    
 C   -3.176300      0.7621000     -0.5404000    
 C   -3.916900     -0.3019000     -2.6400000E-02
 C    3.732300      0.6072000     -6.6299997E-02
 C   0.1557000       2.252800       1.208200    
 C    1.296200       2.729600     -0.8677000    
 C    3.200400      -2.582900     -0.3699000    
 C   -3.873500       1.974600      -1.058600    
 C   -4.057400      -2.573900       1.007600    
 C  -0.1582000       3.604900       1.346100    
 C   0.9824000       4.081700     -0.7297000    
 C   0.2552000       4.519200      0.3771000    
 C    4.860400       2.552000      0.7761000    
 C    3.432100      -4.965100     -0.6078000    
 C    4.583200       3.769700       1.631800    
 C    2.569600      -6.204600     -0.7147000    
 H   -1.379800      -2.394900      0.8168000    
 H   -1.265200       1.503500      -1.068100    
 H   -5.002000     -0.2476000     -3.1999999E-03
 H  -0.1617000       1.561800       1.985900    
 H    1.856600       2.408300      -1.742500    
 H  -0.7213000       3.946400       2.209600    
 H    1.303000       4.793400      -1.484700    
 H   1.1200000E-02   5.571900      0.4849000    
 H    5.168400       2.865600     -0.2273000    
 H    5.655500       1.951300       1.230900    
 H    4.079900      -5.037700      0.2726000    
 H    4.049400      -4.863000      -1.507100    
 H    3.780200       4.372700       1.195600    
 H    4.248600       3.470500       2.630600    
 H    5.477700       4.391000       1.729600    
 H    1.932500      -6.308100      0.1700000    
 H    1.902500      -6.136200      -1.580300    
 H    3.185800      -7.102600     -0.8134000    


%chk=000178878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178878

0 1
F -4.691901 1.221721 -3.031610
F -5.695020 1.809609 -1.088378
F -3.810971 2.883418 -1.768541
F -5.387214 -2.444703 1.323791
F -4.157348 -3.764204 -0.046119
F -3.351466 -3.199454 1.993647
O 4.349536 0.790549 0.585193
O 2.826634 -3.076384 0.280620
O 3.616287 2.363017 -0.973248
O 4.192625 -1.701072 -1.021905
N 0.016224 -0.091090 -0.176602
N 0.740182 -1.288015 -0.183735
C 0.844708 1.044963 -0.212263
C -1.410442 -0.200191 -0.237023
C 2.161228 0.539644 -0.264621
C 0.347254 2.426298 -0.031459
C 2.041325 -0.892856 -0.233448
C -2.018741 -1.332136 0.350469
C -2.191893 0.763397 -0.912961
C -3.419870 -1.470709 0.289300
C -3.592658 0.606911 -0.949668
C -4.223227 -0.505146 -0.353112
C 3.412033 1.334383 -0.280189
C -0.545717 2.722661 1.037415
C 0.764047 3.471179 -0.898251
C 3.134355 -1.893917 -0.376751
C -4.429235 1.616258 -1.690215
C -4.066206 -2.693310 0.884897
C -1.027733 4.034166 1.220351
C 0.273799 4.782075 -0.711508
C -0.625488 5.067560 0.340953
C 5.724399 1.379872 0.522994
C 3.829728 -4.180116 0.135717
C 6.613740 0.498248 1.392175
C 3.301413 -5.357561 0.946597
H -1.392491 -2.080599 0.841819
H -1.725407 1.623662 -1.397215
H -5.311299 -0.609787 -0.375979
H -0.843975 1.931556 1.734639
H 1.476325 3.253724 -1.698485
H -1.711037 4.251315 2.048160
H 0.597974 5.579098 -1.388771
H -1.005478 6.085456 0.479890
H 5.668105 2.422367 0.885132
H 6.041510 1.392894 -0.534927
H 4.804270 -3.810344 0.503055
H 3.931220 -4.412881 -0.939871
H 6.260551 0.486720 2.437553
H 6.621121 -0.536686 1.010538
H 7.649315 0.884367 1.379088
H 3.194458 -5.087074 2.010736
H 2.317583 -5.685119 0.570309
H 4.004168 -6.207333 0.871618


