%chk=000153948.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153948

0 1
 Br  -5.951600      0.9406000      -2.041300    
 F   -2.202900       1.781000       1.485200    
 O   0.3856000       1.187800       1.921300    
 O    3.582800      0.8977000       1.696300    
 O    2.147900       3.469100      -1.834400    
 O  -0.3775000      -3.124200      0.3723000    
 N    2.269300     -0.8282000     -0.4053000    
 N  -0.1156000     -0.9053000       1.034800    
 N    3.086700       2.397900     -2.0000001E-03
 C    1.782700      0.4512000      0.1084000    
 C    1.287000       1.350100      -1.048200    
 C   0.6341000      0.2844000       1.116100    
 C    2.928300       1.243700      0.7224000    
 C    1.548800      -1.988700     -0.3100000    
 C    2.205100       2.541200      -1.040700    
 C   0.2799000      -2.084000      0.3627000    
 C    3.422000      -1.047400      -1.114400    
 C   -1.413200     -0.9223000       1.702300    
 C    2.271100      -2.971900     -0.9612000    
 C    3.453000      -2.378500      -1.463900    
 C   -2.519800     -0.4659000      0.7890000    
 C   -2.853000      0.8804000      0.7355000    
 C   -3.191800      -1.400300      1.3500000E-02
 C   -3.879300       1.300700     -0.1107000    
 C   -4.217900     -0.9798000     -0.8327000    
 C   -4.561700      0.3706000     -0.8948000    
 H   0.2614000       1.705600     -0.8983000    
 H    1.347500      0.8643000      -2.028100    
 H    3.799300       3.086700      0.2125000    
 H    4.121900     -0.2491000      -1.320900    
 H   -1.385800     -0.2887000       2.597200    
 H   -1.630700      -1.933500       2.068800    
 H    1.975800      -4.007200      -1.064600    
 H    4.236700      -2.864000      -2.028100    
 H   -2.942100      -2.455900      5.6600001E-02
 H   -4.134200       2.356600     -0.1472000    
 H   -4.740900      -1.717500      -1.435900    


%chk=000153948-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153948

0 1
Br -6.632152 0.094868 -1.814117
F -3.221293 1.744332 1.909227
O -0.171245 1.736432 0.591194
O 2.977173 0.334277 2.006383
O 3.801160 3.445522 -1.410676
O -0.200590 -2.916325 1.050559
N 2.145788 -0.745641 -0.745655
N -0.155239 -0.573324 0.879941
N 3.589621 2.032305 0.472076
C 1.808145 0.586482 -0.226524
C 1.992620 1.725448 -1.255468
C 0.395751 0.623210 0.420388
C 2.842288 0.941222 0.927383
C 1.537241 -1.921809 -0.274768
C 3.219471 2.521732 -0.807554
C 0.374128 -1.888937 0.592471
C 3.215411 -1.089942 -1.567161
C -1.407106 -0.492253 1.693131
C 2.218050 -3.017357 -0.836768
C 3.268990 -2.493101 -1.649336
C -2.660378 -0.360830 0.840793
C -3.523750 0.747315 0.963325
C -3.033466 -1.357610 -0.096117
C -4.692641 0.915875 0.200541
C -4.198014 -1.236297 -0.884841
C -5.012090 -0.093843 -0.727591
H 1.119239 2.401649 -1.215745
H 2.107099 1.366907 -2.289798
H 4.351905 2.444569 1.017294
H 3.853022 -0.338641 -2.029733
H -1.311540 0.372374 2.366891
H -1.439188 -1.425538 2.279794
H 1.953660 -4.059664 -0.671602
H 3.986453 -3.062015 -2.237380
H -2.405325 -2.248620 -0.198752
H -5.316215 1.801774 0.340390
H -4.468083 -2.017347 -1.599994


