%chk=000064511.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064511

0 1
 Br   3.200500      -2.364000       2.167300    
 O   -1.116500      0.2566000     -2.0000000E-02
 O  -0.3891000       2.430300      0.3590000    
 O   -4.450700      -2.417300     -0.4041000    
 N   -2.894600       1.835900      0.3925000    
 N   -4.577900      0.4015000      0.1898000    
 N   -2.160500      -2.343800     -0.4935000    
 C    1.187300      0.6602000     -5.8699999E-02
 C    2.866000     -0.9996000      0.8111000    
 C    2.710100     -0.5636000      -1.659600    
 C    3.653500       1.199500     -0.1190000    
 C    1.456400     -0.4186000       1.011100    
 C    1.301800      2.3499999E-02  -1.458600    
 C    2.240400       1.778100      7.5300001E-02
 C    2.970200      -1.635000     -0.5850000    
 C    3.910300      0.1207000      0.9492000    
 C    3.751000      0.5611000      -1.516000    
 C  -0.1828000       1.245600      0.1311000    
 C   -2.429000      0.5848000      0.1148000    
 C   -3.439600     -0.3258000     -1.6400000E-02
 C   -4.200800       1.693300      0.4313000    
 C   -3.406300      -1.723100     -0.3016000    
 H    2.785600      -1.012600      -2.656200    
 H    4.397200       1.998600     -2.4400000E-02
 H    1.353100      1.4500000E-02   2.015800    
 H   0.7081000      -1.220600      0.9538000    
 H    1.094100      0.7716000      -2.235000    
 H   0.5594000     -0.7729000      -1.595500    
 H    2.173500       2.257200       1.061200    
 H    2.063400       2.567900     -0.6670000    
 H    2.245100      -2.452000     -0.6954000    
 H    3.963400      -2.077200     -0.7378000    
 H    4.926400     -0.2788000      0.8333000    
 H    3.865600      0.5728000       1.948700    
 H    4.759500      0.1595000      -1.674100    
 H    3.586900       1.323200      -2.287800    
 H   -5.526500      5.1300000E-02  0.1682000    
 H   -4.921100       2.474800      0.6269000    
 H   -1.283000      -1.838800     -0.4292000    
 H   -2.103200      -3.334700     -0.7042000    


%chk=000064511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064511

0 1
Br 3.148731 -3.165758 1.028481
O -1.133318 0.039579 -0.363423
O -0.584852 2.105237 0.619026
O -4.728752 -1.819346 1.662247
N -2.991859 1.361836 -1.257055
N -4.691504 0.306764 -0.204218
N -2.405626 -2.062602 1.494362
C 1.226262 0.580559 -0.136354
C 2.899489 -1.274657 0.205786
C 2.967384 0.058065 -1.915201
C 3.673114 1.106985 0.276889
C 1.440691 -0.853717 0.469090
C 1.504665 0.517857 -1.676716
C 2.217016 1.575093 0.530668
C 3.176249 -1.363802 -1.306425
C 3.885047 -0.311976 0.892571
C 3.950475 1.056729 -1.249136
C -0.205640 1.045548 0.103961
C -2.498100 0.362863 -0.436716
C -3.522524 -0.323059 0.235459
C -4.335912 1.305662 -1.088664
C -3.604751 -1.452853 1.184777
H 3.156458 0.008989 -3.004556
H 4.372428 1.811995 0.765025
H 1.241967 -0.840868 1.557191
H 0.749476 -1.570088 -0.007857
H 1.341553 1.517355 -2.123421
H 0.792638 -0.179568 -2.154876
H 2.012113 1.638064 1.616335
H 2.058289 2.588655 0.118606
H 2.491642 -2.091730 -1.779322
H 4.211204 -1.708678 -1.484082
H 4.924032 -0.652131 0.730927
H 3.701847 -0.290285 1.982692
H 4.996279 0.743744 -1.436946
H 3.825237 2.064464 -1.690974
H -5.618704 0.023297 0.121036
H -5.051581 1.956003 -1.583809
H -1.530973 -1.763299 1.061200
H -2.412991 -2.846825 2.144722


