%chk=000157546.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157546

0 1
 Br   2.661300     -0.1210000       3.334100    
 Cl  -3.794100       2.525000     -0.3586000    
 F   -5.344200      -1.519000      -1.181100    
 F   -5.871000      0.3117000     -0.1441000    
 F   -5.022100      0.4040000      -2.144000    
 F    6.469800      0.1096000     -0.3830000    
 F    5.631800     -0.9387000      -2.086800    
 F    5.552700       1.232800      -2.003400    
 O   0.1462000       2.285200       1.260600    
 O   -1.633300       3.371000      0.5727000    
 O   -1.491400      -3.649500      0.3128000    
 O   0.2559000      -2.567300       1.084000    
 N   0.3473000     -0.1113000       1.231800    
 N   -1.009800       2.307100      0.7828000    
 N  -0.9020000      -2.583000      0.6051000    
 N    1.673200     -8.6000003E-03 -0.7199000    
 C  -0.9626000     -0.1288000      0.6913000    
 C   -1.642900       1.067600      0.4641000    
 C   -1.571000      -1.346000      0.3849000    
 C   -3.539700     -0.1705000     -0.3760000    
 C   -2.931400       1.046700     -6.9600001E-02
 C   -2.859600      -1.366900     -0.1487000    
 C    1.617200     -5.6800000E-02  0.6358000    
 C   -4.919100     -0.2435000     -0.9486000    
 C    2.750300     -5.4200001E-02   1.444000    
 C    4.084400      5.0400000E-02 -0.5545000    
 C    3.997800      3.0000001E-04  0.8324000    
 C    2.903100      4.3600000E-02  -1.278700    
 C    5.403300      0.1099000      -1.239200    
 H   -3.347300      -2.307300     -0.3927000    
 H   0.3719000     -0.5479000       2.151200    
 H    4.902600      4.0000002E-03   1.435100    
 H    2.907600      8.1200004E-02  -2.363600    


%chk=000157546-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157546

0 1
Br 2.832961 -1.286635 3.107732
Cl -3.114084 2.393366 -1.255977
F -5.670437 -1.302587 -0.726145
F -5.700200 0.919664 -0.306559
F -4.990438 0.151040 -2.320924
F 6.478510 0.792705 -0.331231
F 5.603284 0.323762 -2.375841
F 5.315973 2.377308 -1.472619
O 0.162161 2.151956 1.116239
O -0.204605 2.527665 -1.103088
O -2.486261 -3.747054 1.412268
O -0.515319 -2.928446 2.197349
N 0.434972 -0.782799 1.076198
N -0.371838 1.863807 -0.023506
N -1.614338 -2.807854 1.494178
N 1.673449 0.259498 -0.653005
C -0.845960 -0.537411 0.609838
C -1.275836 0.677971 -0.034708
C -1.867065 -1.540608 0.788555
C -3.540638 -0.213394 -0.398388
C -2.587669 0.836919 -0.529842
C -3.167446 -1.376780 0.281341
C 1.656943 -0.300729 0.587595
C -4.950577 -0.104542 -0.932205
C 2.858078 -0.479213 1.335725
C 4.075192 0.531749 -0.505541
C 4.076271 -0.059775 0.778551
C 2.842758 0.680287 -1.185916
C 5.347837 0.997021 -1.151705
H -3.882035 -2.191229 0.421944
H 0.465486 -1.556469 1.774704
H 5.010976 -0.181620 1.331559
H 2.784794 1.142229 -2.176375


