%chk=000063302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063302

0 1
 Br   5.471400      -1.800500      0.8462000    
 O    1.140700       2.713200     -0.7919000    
 O   -2.689200       3.374300      3.4499999E-02
 O   -5.892600      -1.102900      0.3284000    
 N   0.7499000      0.4311000     -0.4487000    
 N    2.569200      -1.005400      0.1138000    
 C  -0.6851000      0.5902000     -0.6947000    
 C   -1.439500      0.8706000      0.6074000    
 C    1.315500     -0.8210000     -0.1638000    
 C    1.541700       1.588900     -0.5037000    
 C   -2.916400       1.014500      0.3857000    
 C    2.971700       1.392500     -0.1844000    
 C    3.422500      0.1052000      0.1177000    
 C   0.4453000      -2.011600     -0.1787000    
 C   -3.469900       2.260200      0.1088000    
 C    3.853800       2.479100     -0.1799000    
 C   -3.723200     -0.1165000      0.4608000    
 C    4.774900     -8.2300000E-02  0.4264000    
 C  -0.1987000      -2.410700      0.9877000    
 C   0.2746000      -2.724700      -1.360500    
 C    5.198100       2.277000      0.1294000    
 C   -5.098100     -3.9999999E-04  0.2568000    
 C    5.658600      0.9979000      0.4327000    
 C   -4.844800       2.376400     -9.4999999E-02
 C   -5.659000       1.246200     -2.1100000E-02
 C   -1.023000      -3.535800      0.9719000    
 C  -0.5497000      -3.849900      -1.376200    
 C   -1.198500      -4.255500     -0.2100000    
 H  -0.8346000       1.420600      -1.395700    
 H   -1.092500     -0.2948000      -1.192100    
 H   -1.026500       1.749700       1.117700    
 H   -1.272500      6.4499997E-02   1.329300    
 H    3.514100       3.484500     -0.4119000    
 H   -3.286400      -1.088500      0.6750000    
 H  -5.8499999E-02  -1.866400       1.917500    
 H   0.7752000      -2.415800      -2.274200    
 H    5.886000       3.117400      0.1344000    
 H    6.710400      0.8609000      0.6712000    
 H   -5.288100       3.344600     -0.3116000    
 H   -6.729400       1.343100     -0.1810000    
 H   -1.526300      -3.852800       1.880600    
 H  -0.6867000      -4.410000      -2.296500    
 H   -1.840200      -5.131700     -0.2220000    
 H   -1.760000       3.136900     -0.1077000    
 H   -5.339500      -1.877800      0.5279000    


%chk=000063302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063302

0 1
Br 5.796047 -1.455746 -0.335466
O 0.480243 2.455184 -0.048545
O -2.084546 3.271914 -0.302232
O -6.726607 0.213837 0.620679
N 0.569893 0.116607 -0.168021
N 2.675369 -1.054423 -0.215356
C -0.910753 0.162972 -0.382033
C -1.706413 0.568926 0.894228
C 1.345317 -1.067988 -0.204561
C 1.189111 1.393663 -0.063477
C -3.067950 1.139499 0.532040
C 2.654282 1.405818 -0.020936
C 3.353782 0.158069 -0.139780
C 0.691992 -2.409962 -0.250275
C -3.174326 2.442095 -0.039286
C 3.350194 2.636762 0.088611
C -4.252446 0.390976 0.752558
C 4.783484 0.200181 -0.158580
C -0.372400 -2.780981 0.613204
C 1.231645 -3.378762 -1.137486
C 4.752179 2.639093 0.077678
C -5.518429 0.919246 0.418521
C 5.471636 1.417288 -0.050125
C -4.452069 2.963540 -0.365908
C -5.619145 2.213178 -0.141852
C -0.901984 -4.088445 0.571247
C 0.690446 -4.679556 -1.188293
C -0.381461 -5.038289 -0.337554
H -1.091679 0.905380 -1.178759
H -1.240663 -0.816959 -0.753898
H -1.120523 1.313646 1.463530
H -1.830341 -0.309748 1.551446
H 2.769234 3.559996 0.171483
H -4.172777 -0.612115 1.195857
H -0.757545 -2.068732 1.349598
H 2.081749 -3.099791 -1.767595
H 5.306378 3.578792 0.163200
H 6.565530 1.424760 -0.063789
H -4.502783 3.968839 -0.794273
H -6.607019 2.611073 -0.391199
H -1.711958 -4.367396 1.253677
H 1.108563 -5.414554 -1.884151
H -0.797766 -6.050833 -0.373537
H -1.172283 2.880210 -0.120688
H -6.548509 -0.672763 1.020595


