%chk=000121427.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121427

0 1
 Br   2.918200       1.499100       2.810900    
 N  -0.3409000     -0.2673000      0.8501000    
 C   0.8660000     -9.8899998E-02   1.658800    
 C   -1.469000      0.4327000       1.463700    
 C  -0.6501000      -1.686800      0.6825000    
 C    1.286500       1.372800       1.719100    
 C   -2.695700      0.3118000      0.6029000    
 C   0.5087000      -2.407800      5.1700000E-02
 C    1.562800       2.047100      0.3967000    
 C   -2.945400       1.268000     -0.3731000    
 C   0.5824000      -2.508600      -1.331500    
 C   -3.564900     -0.7545000      0.7941000    
 C    1.491300      -2.964800      0.8599000    
 C    1.333000       3.407400      0.2669000    
 C    2.040900       1.293100     -0.6632000    
 C   -4.083700       1.156200      -1.171500    
 C    1.657300      -3.178000      -1.916800    
 C   -4.703200     -0.8665000     -4.3000001E-03
 C    2.566200      -3.634100      0.2747000    
 C    1.587800       4.030300     -0.9550000    
 C    2.295900       1.915900      -1.885000    
 C   -4.962500      8.8900000E-02 -0.9871000    
 C    2.649200      -3.740600      -1.113600    
 C    2.069300       3.284500      -2.030800    
 H   0.7040000     -0.4800000       2.677500    
 H    1.731400     -0.6338000       1.268800    
 H   -1.281100       1.504700       1.582600    
 H   -1.682400      5.1700000E-02   2.472200    
 H   -1.491100      -1.856600      4.3000001E-03
 H  -0.9076000      -2.166900       1.636900    
 H   0.5749000       1.960700       2.307900    
 H   -2.266200       2.102000     -0.5279000    
 H  -0.1818000      -2.071100      -1.968000    
 H   -3.388300      -1.497100       1.567300    
 H    1.431300      -2.910400       1.943600    
 H   0.9579000       3.998000       1.097800    
 H    2.254200      0.2335000     -0.5873000    
 H   -4.285300       1.899600      -1.937100    
 H    1.722500      -3.260000      -2.997800    
 H   -5.389800      -1.695200      0.1419000    
 H    3.336200      -4.076300      0.9002000    
 H    1.411600       5.096000      -1.068600    
 H    2.675900       1.336500      -2.721400    
 H   -5.849300      2.0999999E-03  -1.608100    
 H    3.485800      -4.262400      -1.569100    
 H    2.269100       3.769600      -2.981800    


%chk=000121427-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121427

0 1
Br 2.594773 2.125196 3.108907
N -0.400501 -0.358354 1.290906
C 0.792488 0.094273 2.043252
C -1.686635 0.112591 1.865836
C -0.419225 -1.825763 1.039066
C 1.087065 1.585222 1.764175
C -2.820672 0.136514 0.844789
C 0.674248 -2.306753 0.094794
C 1.497752 1.964867 0.366619
C -2.602354 0.664742 -0.453640
C 0.836073 -1.709386 -1.181347
C -4.115260 -0.321540 1.190297
C 1.512691 -3.390732 0.454097
C 0.877116 3.079128 -0.255928
C 2.493950 1.249651 -0.347450
C -3.660597 0.734872 -1.385221
C 1.812785 -2.190499 -2.079561
C -5.177944 -0.250309 0.259417
C 2.491921 -3.876379 -0.444095
C 1.232714 3.466719 -1.566637
C 2.854203 1.637884 -1.653908
C -4.953469 0.279087 -1.031687
C 2.643097 -3.277874 -1.715524
C 2.225063 2.746308 -2.270084
H 0.683741 -0.049727 3.144195
H 1.655326 -0.513565 1.722297
H -1.530652 1.139477 2.247659
H -1.994034 -0.502565 2.748308
H -1.407702 -2.051555 0.594299
H -0.360840 -2.400643 1.997309
H 0.264324 2.228713 2.114213
H -1.594857 1.004991 -0.720247
H 0.200837 -0.859266 -1.452157
H -4.293063 -0.738163 2.190042
H 1.397766 -3.858061 1.440445
H 0.113749 3.646863 0.291044
H 2.998360 0.397444 0.120345
H -3.480002 1.143978 -2.385985
H 1.926020 -1.719376 -3.062865
H -6.174402 -0.610981 0.538937
H 3.133479 -4.715593 -0.152166
H 0.742864 4.328664 -2.033022
H 3.627076 1.077210 -2.191292
H -5.774508 0.332423 -1.755569
H 3.399644 -3.652712 -2.414309
H 2.509592 3.047480 -3.284550


