%chk=000063759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063759

0 1
 Br  -5.940000      -2.301700      1.9400001E-02
 O    5.493700     -0.7384000     -8.6099997E-02
 O  -0.5409000      -1.843300      0.1141000    
 N   4.1900001E-02  0.4386000      6.5399997E-02
 N   -1.691800       2.064400     -4.4300001E-02
 C    1.445900      0.1340000      2.6100000E-02
 C  -0.4346000       1.751300      2.7700000E-02
 C  -0.8503000     -0.6541000      9.9399999E-02
 C   -2.285500     -0.3047000      4.7899999E-02
 C    2.080600     -1.9800000E-02  -1.199800    
 C    2.151500     -1.1000000E-03   1.215100    
 C    3.443600     -0.3139000      -1.237400    
 C    3.514500     -0.2950000       1.177300    
 C   -2.643800       1.040000     -4.6700001E-02
 C    4.160600     -0.4514000     -4.8799999E-02
 C   0.5296000       2.915300      0.1321000    
 C   -3.264500      -1.305300      6.7800000E-02
 C    4.117700     -0.4790000      -2.559500    
 C    4.265400     -0.4381000       2.460100    
 C   -4.000500       1.376100     -0.1212000    
 C   -4.612300     -0.9569000     -6.5000001E-03
 C   -4.980800      0.3828000     -0.1021000    
 H    1.514700      8.9400001E-02  -2.121800    
 H    1.640800      0.1228000       2.166900    
 H   -2.981500      -2.352700      0.1385000    
 H    1.237500       2.887300     -0.7007000    
 H    1.084100       2.851500       1.072400    
 H  -7.1000000E-03   3.868000      0.1037000    
 H   -4.302800       2.418500     -0.1912000    
 H    4.535600      -1.486400      -2.657300    
 H    3.416800     -0.3406000      -3.390200    
 H    4.912400      0.2642000      -2.683600    
 H    4.695800      -1.441900       2.538900    
 H    5.069400      0.3033000       2.514900    
 H    3.619300     -0.2879000       3.331700    
 H   -6.026800      0.6725000     -0.1609000    
 H    5.812700     -0.8194000     -0.9979000    


%chk=000063759-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063759

0 1
Br -6.055150 -2.345169 -0.086486
O 5.536988 -0.700835 0.028441
O -0.463669 -1.864107 -0.107648
N -0.006133 0.444623 0.001184
N -1.754684 2.105563 0.074855
C 1.423262 0.152311 -0.010650
C -0.468409 1.780722 0.055714
C -0.903807 -0.682272 -0.048109
C -2.331918 -0.308344 -0.021882
C 2.084340 -0.038576 -1.239814
C 2.127183 0.045802 1.207408
C 3.466835 -0.327295 -1.271590
C 3.509763 -0.238967 1.220082
C -2.704947 1.070877 0.039362
C 4.158583 -0.418271 -0.031557
C 0.559803 2.885031 0.087992
C -3.320075 -1.326543 -0.059033
C 4.202231 -0.548261 -2.581499
C 4.293797 -0.367904 2.507816
C -4.087140 1.409568 0.062635
C -4.669596 -0.956507 -0.034490
C -5.067853 0.406110 0.026324
H 1.517804 0.020326 -2.175438
H 1.592218 0.168729 2.155604
H -2.995980 -2.370144 -0.105888
H 1.231396 2.840050 -0.787773
H 1.200640 2.819834 0.985111
H 0.024275 3.844826 0.092304
H -4.361024 2.467411 0.109346
H 4.630139 -1.569006 -2.650825
H 3.517880 -0.433067 -3.437478
H 5.027361 0.178118 -2.728308
H 4.745069 -1.373094 2.595896
H 5.132806 0.351076 2.538280
H 3.648457 -0.195517 3.385308
H -6.129659 0.667711 0.044470
H 5.910117 -0.846409 -0.876263


