%chk=000158445.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158445

0 1
 Br  0.2820000      -1.931900      -1.338100    
 Br   3.237100       1.751200       1.977300    
 F   -1.217500       3.501300     -0.5633000    
 F  -3.8100000E-02   2.944400       1.169600    
 F   0.6476000       2.414400     -0.8247000    
 F    5.300100     -0.7873000      -2.062000    
 O   -1.362200      -3.397200       1.148800    
 O   0.5025000      -2.289500       1.514400    
 O   -5.096800      0.9112000      -1.252400    
 O   -5.178400      -1.225200     -0.7358000    
 N   0.7591000      0.1065000      0.9927000    
 N  -0.6838000      -2.344800       1.116300    
 N   -4.567000     -0.1321000     -0.8012000    
 C  -0.5813000      4.0700000E-02  0.5429000    
 C   -1.196800       1.185400      3.6300000E-02
 C   -1.286400      -1.161200      0.6043000    
 C    1.922300     -0.1224000      0.2102000    
 C   -2.517400       1.128000     -0.4089000    
 C   -2.607000      -1.218600      0.1592000    
 C   -3.222600     -7.4000001E-02 -0.3475000    
 C   0.9248000      0.1717000       2.451300    
 C  -0.4671000       2.487300     -4.2500000E-02
 C    1.871100      -1.005300     -0.8657000    
 C    3.108500      0.5369000      0.5227000    
 C    3.013400      -1.230100      -1.634000    
 C    4.250700      0.3120000     -0.2457000    
 C    4.203200     -0.5714000      -1.324200    
 H   -2.984900       2.027300     -0.8018000    
 H   -3.161000      -2.153200      0.2054000    
 H    1.807200     -0.3585000       2.829300    
 H   8.6099997E-02 -0.3253000       2.961300    
 H   0.8415000       1.197900       2.823800    
 H    2.996600      -1.914700      -2.478100    
 H    5.187300      0.8156000     -2.0400001E-02


%chk=000158445-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158445

0 1
Br 1.233491 -2.221942 -1.592899
Br 2.434847 2.047911 2.282642
F -0.867684 2.758974 -1.863249
F 0.676765 2.554454 -0.244783
F 0.753973 1.225165 -2.090549
F 5.606722 0.725140 -1.717639
O -2.143829 -2.708117 2.668877
O -0.459249 -3.167895 1.201587
O -5.093495 1.396130 -1.134063
O -5.652942 -0.297644 0.297235
N 0.747931 -0.367510 0.976185
N -1.371887 -2.391954 1.683104
N -4.791095 0.445360 -0.313452
C -0.557756 -0.239593 0.490928
C -1.017324 0.796884 -0.431347
C -1.617200 -1.091281 1.003775
C 1.947023 -0.033003 0.239782
C -2.387387 0.979107 -0.688000
C -2.984097 -0.852603 0.795915
C -3.362097 0.191363 -0.053193
C 1.041956 -1.065083 2.260215
C -0.126684 1.801456 -1.136210
C 2.351483 -0.791231 -0.899762
C 2.852270 0.963677 0.712924
C 3.563527 -0.541175 -1.570902
C 4.075009 1.228391 0.070482
C 4.395784 0.468194 -1.065463
H -2.722523 1.768550 -1.364130
H -3.735185 -1.503724 1.250389
H 1.248790 -2.136876 2.097308
H 0.197483 -0.952386 2.959345
H 1.920665 -0.589422 2.718900
H 3.859790 -1.113934 -2.452072
H 4.755724 2.003718 0.427622


