%chk=000042003.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042003

0 1
 Br  -2.341900       3.433900      0.1741000    
 O    1.117000     -0.1570000      -2.290000    
 N    3.276000     -0.5887000     -0.4363000    
 N   -4.316500       1.042000      0.6485000    
 N   -4.556300      -2.533900      0.5531000    
 C    4.305800     -0.1071000      0.4902000    
 C    1.958700     -0.1472000     -1.0400000E-02
 C   0.8767000     -0.6514000     -0.9731000    
 C    5.673300     -0.5879000     -6.3999998E-03
 C    4.263600       1.424600      0.5132000    
 C    4.029000     -0.6629000       1.892100    
 C  -0.5018000     -0.2000000     -0.5429000    
 C   -1.478100      -1.150000     -0.2972000    
 C  -0.7570000       1.153500     -0.4038000    
 C   -2.748700     -0.7340000      9.9900000E-02
 C   -2.027800       1.569600     -6.6999998E-03
 C   -3.023700      0.6258000      0.2450000    
 C   -3.748200      -1.729200      0.3505000    
 H    3.298700      -1.607200     -0.4833000    
 H    1.692900     -0.5118000      0.9868000    
 H    1.912100      0.9437000     -7.1999999E-03
 H   0.9130000      -1.746800      -1.028500    
 H    6.478400     -0.2411000      0.6515000    
 H    5.724200      -1.682600     -4.0500000E-02
 H    5.886000     -0.2124000      -1.014300    
 H    3.419400       1.833600       1.078600    
 H    4.245600       1.847000     -0.4987000    
 H    5.163800       1.818300       1.002000    
 H    4.895700     -0.4920000       2.543000    
 H    3.181600     -0.1849000       2.394300    
 H    3.856700      -1.745600       1.873300    
 H   -1.259200      -2.209000     -0.4115000    
 H   1.1100000E-02   1.891500     -0.6175000    
 H    2.020300     -0.4186000      -2.537800    
 H   -4.508300       2.030000      0.7510000    
 H   -5.048500      0.3707000      0.8339000    


%chk=000042003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042003

0 1
Br -2.676935 3.506080 -0.713543
O 1.480749 0.350925 -1.990785
N 3.225606 -0.723996 -0.308947
N -4.402910 1.149945 0.503005
N -4.488610 -2.311225 1.298600
C 4.322717 -0.146131 0.548609
C 1.826434 -0.687154 0.185219
C 0.884597 -0.602648 -1.066380
C 5.650655 -0.460447 -0.182215
C 4.141098 1.388146 0.649906
C 4.339403 -0.781244 1.968138
C -0.520149 -0.162885 -0.688692
C -1.445627 -1.069692 -0.140633
C -0.908390 1.193086 -0.851792
C -2.737690 -0.641941 0.263382
C -2.182280 1.616109 -0.457106
C -3.146004 0.732722 0.115507
C -3.676033 -1.568865 0.823736
H 3.485750 -1.671039 -0.623605
H 1.542634 -1.551622 0.821666
H 1.687220 0.231247 0.780390
H 0.834620 -1.612083 -1.536934
H 6.508172 -0.048325 0.377807
H 5.805055 -1.553146 -0.277233
H 5.649175 -0.020491 -1.195243
H 3.214627 1.665037 1.184403
H 4.104311 1.840525 -0.356756
H 4.987261 1.831825 1.204674
H 5.153674 -0.352443 2.580684
H 3.387445 -0.597854 2.499064
H 4.496355 -1.874986 1.908567
H -1.187448 -2.128277 -0.024126
H -0.194796 1.881161 -1.312800
H 2.470256 0.251314 -1.789377
H -4.678534 2.121653 0.378320
H -5.068809 0.489620 0.899391


