%chk=000089822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089822

0 1
 Br  -2.630900      0.4487000       4.047100    
 Cl -0.2483000      -5.043700      -1.305200    
 F  -0.9810000       3.126400      -2.472300    
 F   -1.889600       1.146200      -2.561400    
 F   -2.674800       2.651200      -1.184300    
 O    1.034300     -0.7933000       2.344600    
 O   -2.047900       2.174500       1.689100    
 N   -1.184600      0.5980000      0.1791000    
 C  -0.9471000     -0.7364000     -0.1622000    
 C   0.1726000      -1.415600      0.2611000    
 C  -0.5856000       1.677800     -0.6638000    
 C   -1.875100      -1.405900     -0.9598000    
 C    1.187000     -0.7275000       1.115700    
 C   0.4138000      -2.730700     -7.1500003E-02
 C   -1.909500      0.9942000       1.359700    
 C   -1.544900       2.150100      -1.727100    
 C   -1.658500      -2.737800      -1.313100    
 C    2.316700     -3.8000001E-03  0.5550000    
 C  -0.5141000      -3.400300     -0.8690000    
 C   -2.519600     -0.1175000       2.190100    
 C    2.483300      6.6399999E-02 -0.8281000    
 C    3.234100      0.6201000       1.400300    
 C    3.567200      0.7604000      -1.366000    
 C    4.318000       1.314200      0.8627000    
 C    4.484500       1.384300     -0.5205000    
 H  -0.2975000       2.514000     -1.8500000E-02
 H   0.3103000       1.307200      -1.154800    
 H   -2.775700     -0.9056000      -1.306400    
 H    1.307900      -3.239500      0.2790000    
 H   -2.391300      -3.247500      -1.933500    
 H   -3.534600     -0.3266000       1.845700    
 H   -1.923300      -1.028900       2.205000    
 H    1.806100     -0.4205000      -1.523400    
 H    3.127100      0.5808000       2.481100    
 H    3.699700      0.8115000      -2.442800    
 H    5.032500       1.800100       1.520600    
 H    5.329100       1.923800     -0.9391000    


%chk=000089822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089822

0 1
Br -4.184414 -0.919791 2.288899
Cl 0.118619 -4.673519 -1.631163
F -1.915488 3.294245 -2.383102
F -1.723526 1.061200 -2.719656
F -3.479711 1.873001 -1.539496
O 0.810262 0.335251 2.020074
O -2.419965 2.250915 1.997372
N -1.584975 0.803321 0.369287
C -1.168422 -0.516758 -0.062160
C 0.185923 -0.941992 0.088793
C -1.268441 1.961709 -0.474556
C -2.106186 -1.356805 -0.700713
C 1.175245 -0.131785 0.894674
C 0.570708 -2.212927 -0.408913
C -2.133529 1.074301 1.640539
C -2.098680 2.039119 -1.757225
C -1.729263 -2.632077 -1.174853
C 2.561847 0.084222 0.378484
C -0.390392 -3.037719 -1.021805
C -2.343257 -0.109781 2.569336
C 2.900102 -0.088871 -0.992923
C 3.557444 0.528858 1.292819
C 4.213789 0.172767 -1.436672
C 4.869046 0.778913 0.848550
C 5.200579 0.600409 -0.517852
H -1.489953 2.863060 0.125318
H -0.203324 1.973591 -0.769096
H -3.134851 -1.007015 -0.824228
H 1.599842 -2.562952 -0.287519
H -2.460189 -3.287070 -1.656649
H -1.624526 -0.925640 2.424571
H -2.346880 0.250895 3.605191
H 2.136725 -0.404301 -1.711975
H 3.274418 0.671924 2.340881
H 4.467510 0.047990 -2.494593
H 5.633290 1.113714 1.557740
H 6.220925 0.798398 -0.864276


