%chk=000158885.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158885

0 1
 Br   3.974400      -3.036400      -2.671700    
 Br  7.0200004E-02  -3.813500       1.275300    
 Br  -4.452900       3.556400      -1.582800    
 Br -0.8970000      0.3521000       1.592400    
 O    4.983800      5.7300001E-02   1.070500    
 O    3.048200      -1.013800       1.785600    
 O    3.575500      0.3890000      -1.568000    
 O    1.232900      -3.532800      -1.459400    
 O    3.530300       3.775700     -0.2255000    
 O   -1.918100       2.830600      4.2300001E-02
 O   -5.008300      -2.549700     -0.8393000    
 N    4.623200       1.426200       1.150600    
 N    1.567500       2.842600      0.6563000    
 N   -7.298000      -2.651000       1.218500    
 C    3.813600     -0.6907000      0.6231000    
 C    3.075200      0.3278000     -0.2482000    
 C    4.367200      -1.939300     -7.7500001E-02
 C    3.564000       1.548600      0.4286000    
 C    3.352900      -2.643000     -0.9357000    
 C    2.885200       2.849000      0.2496000    
 C    2.099800      -2.941500     -0.5470000    
 C    2.023000      -1.903300       1.750400    
 C   0.7079000       4.000900      0.5745000    
 C    1.564600      -2.736700      0.7970000    
 C  -3.6600001E-02   4.082400     -0.7516000    
 C  -0.9458000       2.883500     -0.9933000    
 C   -5.606600      -1.447200     -0.1446000    
 C   -4.633500     -0.3181000     -9.4899997E-02
 C   -2.812900       1.793600     -2.4999999E-03
 C   -4.926000      0.8837000     -0.7398000    
 C   -3.430600     -0.4640000      0.5961000    
 C   -6.043700      -1.902700       1.261800    
 C   -4.015700       1.939500     -0.6936000    
 C   -2.520400      0.5919000      0.6423000    
 C   0.4866000      -2.547300      -2.139700    
 H    1.988200      0.2382000     -0.2494000    
 H    4.752900      -2.648600      0.6675000    
 H    5.244900      -1.648700     -0.6699000    
 H    4.547400      0.3863000      -1.535100    
 H    1.560100      -1.870200       2.733100    
 H    1.170900       1.991100       1.043000    
 H    1.320000       4.900600      0.7031000    
 H   1.1300000E-02   3.951200       1.417700    
 H  -0.6403000       4.997800     -0.7493000    
 H   0.6794000       4.160100      -1.578100    
 H  -0.3640000       1.955400      -1.029000    
 H   -1.438400       3.001800      -1.965000    
 H   -6.487000      -1.150600     -0.7276000    
 H   -5.864500      0.9957000      -1.278000    
 H   -3.197800      -1.401400       1.095800    
 H   -6.199000      -1.033300       1.911600    
 H   -5.282200      -2.538200       1.727400    
 H  -0.1465000      -3.050200      -2.877200    
 H    1.124200      -1.837700      -2.678000    
 H  -0.1725000      -1.999400      -1.456700    
 H   -4.371600      -2.981300     -0.2448000    
 H   -7.584500      -2.884600       2.168300    
 H   -8.035500      -2.061200      0.8349000    


%chk=000158885-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158885

0 1
Br 1.947898 -2.325705 -3.156401
Br 1.477303 -4.942423 1.908573
Br -3.964016 3.466140 -2.068662
Br -0.833569 0.874885 2.151265
O 4.970979 -0.029019 0.262966
O 3.422445 -1.226429 1.528489
O 2.077795 0.591862 -1.400563
O 0.522110 -3.793788 -0.851864
O 3.574300 4.073635 -0.067287
O -1.662562 3.135205 0.135809
O -4.074727 -2.825235 0.004006
N 4.759455 1.413978 0.461080
N 1.669936 3.162895 0.929363
N -6.669297 -2.972309 0.451032
C 3.648317 -0.713585 0.164682
C 2.625730 0.448555 -0.056774
C 3.786808 -1.829925 -0.893403
C 3.469397 1.663072 0.336223
C 2.479487 -2.468694 -1.282865
C 2.935489 3.077323 0.384663
C 1.668067 -3.136179 -0.398078
C 2.845245 -2.465524 1.802575
C 0.887472 4.410156 0.910430
C 2.054649 -3.263693 1.016739
C 0.175978 4.634210 -0.448955
C -0.633594 3.429453 -0.924900
C -4.806366 -1.680594 -0.518192
C -3.980011 -0.414263 -0.367287
C -2.424509 1.981093 -0.057670
C -4.244213 0.719628 -1.170413
C -2.963914 -0.346928 0.613305
C -6.158191 -1.591835 0.276813
C -3.488011 1.895180 -0.999526
C -2.213174 0.830897 0.751515
C -0.766141 -3.283732 -0.317950
H 1.742086 0.279034 0.576553
H 4.476509 -2.586134 -0.466586
H 4.287604 -1.401460 -1.774968
H 2.791300 0.836321 -2.045474
H 3.080338 -2.746505 2.832154
H 1.195924 2.323419 1.273410
H 1.568421 5.254841 1.110252
H 0.140907 4.349568 1.719074
H -0.485056 5.516589 -0.360859
H 0.932825 4.859795 -1.224312
H 0.001066 2.531090 -1.052709
H -1.150351 3.650988 -1.875936
H -5.038335 -1.834003 -1.596554
H -5.031114 0.690525 -1.931211
H -2.770611 -1.230065 1.227139
H -6.861022 -0.905467 -0.237372
H -5.947971 -1.176212 1.278056
H -1.541870 -3.949223 -0.718106
H -0.938247 -2.253439 -0.677339
H -0.780923 -3.314869 0.787049
H -4.824198 -3.435834 0.315935
H -7.142738 -3.148830 1.340797
H -7.205708 -3.335832 -0.343633


