%chk=000162838.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162838

0 1
 Br   3.247800      7.5800002E-02  -2.878600    
 Br  0.3625000     -0.2491000       2.106500    
 Br   6.026800     -0.2038000       2.049700    
 F   -1.381700       3.483700     -0.1136000    
 F   0.5158000       2.550800      0.3693000    
 F  -0.1468000       2.653400      -1.699300    
 O   -1.248600      -3.612700     -0.5749000    
 O   0.5850000      -2.521000      -1.090200    
 O   -5.197500      0.9123000      0.9390000    
 O   -5.195100      -1.279100      0.8090000    
 N   0.7483000     -5.7100002E-02 -0.9959000    
 N  -0.6099000      -2.543400     -0.7135000    
 N   -4.616500     -0.1719000      0.6918000    
 C  -0.6014000     -9.2000000E-02 -0.5713000    
 C   -1.268200       1.100600     -0.2903000    
 C   -1.265100      -1.311100     -0.4338000    
 C   -2.598500       1.074100      0.1283000    
 C   -3.262000     -0.1451000      0.2660000    
 C   -2.595300      -1.337700     -1.5000000E-02
 C    1.965000     -9.0899996E-02 -0.2938000    
 C  -0.5839000       2.422000     -0.4284000    
 C    3.182500     -3.9900001E-02 -0.9838000    
 C    1.974200     -0.1762000       1.103900    
 C    4.390400     -7.3600002E-02 -0.2870000    
 C    3.182000     -0.2097000       1.800700    
 C    4.390100     -0.1585000       1.105300    
 H   0.8437000      6.0000001E-03  -2.005300    
 H   -3.106400       2.010700      0.3443000    
 H   -3.116600      -2.285800      9.4200000E-02
 H    5.334200     -3.3799998E-02 -0.8266000    
 H    3.185000     -0.2757000       2.886700    


%chk=000162838-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162838

0 1
Br 2.933552 0.480337 -2.772368
Br 0.831969 0.037764 2.682397
Br 6.131388 -1.844784 1.445872
F -2.238268 3.637206 -0.921098
F -0.413895 3.363457 0.390794
F -0.277151 2.946399 -1.833450
O -0.413622 -3.208679 0.552356
O 0.904717 -2.132887 -0.969582
O -5.543344 0.440602 0.171386
O -5.025126 -1.743549 0.607936
N 0.821069 0.719812 -0.497746
N -0.097627 -2.177833 -0.154818
N -4.703604 -0.533334 0.296156
C -0.505640 0.344454 -0.349649
C -1.528324 1.363739 -0.453167
C -0.977406 -0.988490 -0.080695
C -2.884204 1.075545 -0.262175
C -3.275278 -0.238051 0.067027
C -2.332100 -1.270236 0.163046
C 2.000131 0.083574 -0.029842
C -1.142571 2.799145 -0.690385
C 3.112448 -0.067712 -0.908630
C 2.197221 -0.303972 1.327048
C 4.334549 -0.622389 -0.492236
C 3.401926 -0.886957 1.766778
C 4.457907 -1.043819 0.847618
H 0.984547 1.553500 -1.075084
H -3.645503 1.855944 -0.339294
H -2.645054 -2.292581 0.392491
H 5.160130 -0.737093 -1.197433
H 3.516963 -1.187812 2.810147


