%chk=000123616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123616

0 1
 Br   6.704000     -0.2937000       3.315900    
 O   -6.348600     -0.8343000      0.8075000    
 O   -4.443600       2.124900       1.220800    
 O   -3.207700      -3.401900     -0.3996000    
 O   -6.814400       1.124600       1.800000    
 O    7.077500      -1.467200      9.1399997E-02
 N   -1.694200      -1.654100     -0.3690000    
 N   0.6406000       1.083200     -0.3639000    
 N    6.972400      0.8540000      0.1029000    
 C   -4.889200       1.088200      0.3431000    
 C   -3.777000      0.1011000      0.1180000    
 C   -1.434600     -0.2992000     -0.2439000    
 C   -4.057800      -1.208000     -1.2800000E-02
 C  -0.4512000      -2.410700     -0.6250000    
 C   0.5793000      -1.330200     -0.6369000    
 C   -2.410400      0.5826000     -1.3300000E-02
 C  -3.5999999E-03 -9.0899996E-02 -0.4137000    
 C   -2.959400      -2.204700     -0.2768000    
 C   -5.358800       1.717900     -0.9705000    
 C   -5.458000      -1.710100      8.1900001E-02
 C   -6.084200      0.4691000       1.058700    
 C    1.939300      -1.389700     -0.8279000    
 C    2.668600     -0.1897000     -0.7870000    
 C    1.975300       1.031500     -0.5512000    
 C   -6.456300       2.734700     -0.7311000    
 C    4.059800     -0.1845000     -0.9750000    
 C    2.718500       2.206800     -0.5155000    
 C    4.773400       1.010100     -0.9337000    
 C    4.102600       2.205100     -0.7039000    
 C    6.250800       1.007200      -1.135000    
 C    7.328400     -0.3840000      0.6167000    
 C    8.058400     -0.2881000       1.929000    
 H  -0.5402000      -2.922800      -1.587600    
 H  -0.3019000      -3.130300      0.1854000    
 H   -2.204500       1.643800      6.9700003E-02
 H   -5.720600      0.9547000      -1.670400    
 H   -4.522000       2.236700      -1.455600    
 H   -5.881200      -1.871500     -0.9151000    
 H   -5.484100      -2.665500      0.6161000    
 H    2.427600      -2.343200      -1.005300    
 H   -7.393900       2.265900     -0.4184000    
 H   -6.174700       3.491400      7.4000000E-03
 H   -6.671400       3.263200      -1.666800    
 H   -4.094500       1.711900       2.029600    
 H    4.584000      -1.120500      -1.158300    
 H    2.219100       3.157500     -0.3367000    
 H    4.643100       3.147400     -0.6661000    
 H    6.541700      0.2079000      -1.827300    
 H    6.579900       1.948500      -1.590400    
 H    7.200800       1.694400      0.6261000    
 H    8.636100      0.6342000       2.019700    
 H    8.704600      -1.155800       2.076700    


%chk=000123616-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123616

0 1
Br 8.602569 0.384151 3.077848
O -6.243517 -0.890020 1.090697
O -4.588717 2.413943 0.879000
O -3.073350 -3.346742 -0.392535
O -6.598359 1.113406 2.136550
O 7.249896 -1.485796 -0.462073
N -1.669998 -1.469770 -0.351291
N 0.669251 1.272253 -0.291238
N 7.127234 0.723483 0.281398
C -5.002260 1.149597 0.283721
C -3.789122 0.244582 0.087001
C -1.427975 -0.099501 -0.217535
C -4.024918 -1.127037 -0.034452
C -0.431807 -2.263176 -0.580658
C 0.636847 -1.191458 -0.574523
C -2.471058 0.788240 0.005902
C 0.021956 0.098499 -0.356444
C -2.946604 -2.082752 -0.266684
C -5.687753 1.436276 -1.098701
C -5.419443 -1.674814 0.110178
C -6.007510 0.462682 1.245492
C 2.012377 -1.261618 -0.734601
C 2.766074 -0.037416 -0.673833
C 2.049560 1.211116 -0.449367
C -6.940840 2.325967 -0.992906
C 4.185258 -0.005878 -0.830496
C 2.790094 2.433057 -0.390994
C 4.892416 1.202583 -0.763473
C 4.177638 2.426436 -0.545061
C 6.411668 1.212836 -0.917865
C 7.487951 -0.589957 0.411531
C 8.236011 -1.040172 1.667510
H -0.512456 -2.813762 -1.536016
H -0.319627 -3.017959 0.219514
H -2.289308 1.854633 0.136944
H -5.930809 0.481792 -1.603583
H -4.918885 1.939699 -1.714455
H -5.980056 -1.684274 -0.844060
H -5.398094 -2.700124 0.509711
H 2.533324 -2.211003 -0.902763
H -7.749779 1.840960 -0.417534
H -6.695326 3.282663 -0.501304
H -7.331350 2.551369 -2.001195
H -5.222928 2.605781 1.626094
H 4.732700 -0.940959 -1.002533
H 2.229480 3.357781 -0.225998
H 4.734736 3.370503 -0.502630
H 6.711713 0.553615 -1.751536
H 6.770364 2.234502 -1.134512
H 7.312234 1.363252 1.059213
H 9.223453 -1.434494 1.384628
H 7.654846 -1.819074 2.182817


