%chk=000106547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106547

0 1
 Br  -1.860400      -2.826900      -1.656300    
 O   -2.719400       2.240800       2.246000    
 O  -0.8151000       1.256200       1.773400    
 O   -6.829800      0.6884000      0.3360000    
 O   -6.835900      -1.026400      -1.034600    
 N    5.440200     -0.9173000      0.4217000    
 N  -1.9000000E-03 -2.4999999E-03 -0.5674000    
 N  -0.6609000     -0.6676000      0.2635000    
 N   -2.058000       1.358500       1.650500    
 N   -6.229800     -0.2184000     -0.2903000    
 C    3.676400      0.5971000     -0.3897000    
 C    2.302600      0.8278000     -0.6392000    
 C    4.078600     -0.6346000      0.1521000    
 C    1.371400     -0.1798000     -0.3394000    
 C    3.139800      -1.624500      0.4439000    
 C    4.607600       1.604800     -0.6895000    
 C    1.788700      -1.397400      0.1986000    
 C    1.900400       2.059500      -1.181100    
 C    5.875000      -2.159800      0.9723000    
 C    4.190300       2.822500      -1.227400    
 C    2.839300       3.049400      -1.472700    
 C    7.384100      -2.164900       1.122600    
 C   -2.012000     -0.5639000      0.1245000    
 C   -2.742500      0.4403000      0.8054000    
 C   -2.749000      -1.448100     -0.7015000    
 C   -4.126000      0.5541000      0.6690000    
 C   -4.821100     -0.3332000     -0.1526000    
 C   -4.132700      -1.334400     -0.8378000    
 H    3.409200      -2.590800      0.8586000    
 H    5.674100       1.492100     -0.5230000    
 H    6.137100     -0.2125000      0.2244000    
 H    1.102500      -2.211300      0.4195000    
 H   0.8537000       2.273500      -1.385500    
 H    5.431300      -2.325600       1.961000    
 H    5.597100      -2.995700      0.3197000    
 H    4.920000       3.594200      -1.455000    
 H    2.515200       3.997800      -1.891300    
 H    7.877200      -2.024700      0.1546000    
 H    7.716800      -1.359900       1.786700    
 H    7.723400      -3.116400       1.543700    
 H   -4.666800       1.333000       1.201500    
 H   -4.658900      -2.034900      -1.482600    


%chk=000106547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106547

0 1
Br -1.678455 -0.299973 -2.819899
O -3.344655 -0.053327 3.569469
O -1.323779 0.577717 2.712236
O -7.197375 -0.333881 0.657916
O -6.906881 -0.509025 -1.604256
N 5.524567 -0.926924 0.488780
N 0.108619 0.478717 -0.292051
N -0.808479 -0.203580 0.333642
N -2.550167 0.184654 2.574508
N -6.453195 -0.376126 -0.398682
C 3.847605 0.495350 -0.621980
C 2.456343 0.836886 -0.796248
C 4.204380 -0.594239 0.285009
C 1.437271 0.082038 -0.084811
C 3.172034 -1.304042 0.964640
C 4.832322 1.240914 -1.346215
C 1.824233 -0.972710 0.778960
C 2.106731 1.907635 -1.677775
C 5.993707 -2.003826 1.379106
C 4.467145 2.285260 -2.201686
C 3.091566 2.622545 -2.365321
C 7.527343 -2.098358 1.345412
C -2.163340 -0.069316 0.093160
C -3.074475 -0.011668 1.210644
C -2.776270 -0.210554 -1.204604
C -4.466112 -0.123111 1.070750
C -4.994710 -0.270124 -0.221483
C -4.159802 -0.309414 -1.366473
H 3.431863 -2.109606 1.655730
H 5.899810 1.007439 -1.253264
H 6.246880 -0.383057 0.017349
H 1.040938 -1.509394 1.323476
H 1.046748 2.147909 -1.794914
H 5.650052 -1.809078 2.415521
H 5.548410 -2.968186 1.061909
H 5.236454 2.842062 -2.746744
H 2.808022 3.442053 -3.034027
H 7.893557 -2.330973 0.328806
H 7.995214 -1.155283 1.683037
H 7.871627 -2.901740 2.018150
H -5.116075 -0.083784 1.947866
H -4.617872 -0.411378 -2.353343


