%chk=000063586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063586

0 1
 Br  -6.913100      -2.579000      -1.938300    
 O   -2.077700     -0.1331000      -1.869600    
 N   -1.710900      0.7941000      0.2646000    
 N    3.314300     -0.4977000      0.7300000    
 N   -3.401300      0.5630000       1.922900    
 N    4.212900      0.5328000      -1.022400    
 C  -0.4576000       1.368300     -0.1415000    
 C    1.928200       1.189700     -0.3975000    
 C   0.7121000      0.6317000     -3.1999999E-03
 C   -2.228700      0.9747000       1.549400    
 C    3.148500      0.4332000     -0.2577000    
 C   -3.753300     -0.4301000     -0.2824000    
 C   -2.429100      6.8400003E-02 -0.7094000    
 C   -4.193000     -0.1395000       1.009000    
 C    4.568900      -1.034200      0.5937000    
 C  -0.4312000       2.653700     -0.6677000    
 C    5.109500     -0.3748000     -0.5069000    
 C    1.964600       2.479700     -0.9269000    
 C   0.7849000       3.211700      -1.061900    
 C   -4.560600      -1.157000      -1.165500    
 C   -1.388500       1.633900       2.624100    
 C   -5.456900     -0.5872000       1.411200    
 C    5.256400      -2.009900       1.316400    
 C    6.412000     -0.6953000     -0.9253000    
 C   -5.817100      -1.597400     -0.7521000    
 C   -6.266000      -1.311900      0.5351000    
 C    6.551600      -2.316200      0.8862000    
 C    7.121000      -1.671700     -0.2145000    
 H   0.6560000     -0.3768000      0.4002000    
 H   -1.345100       3.231300     -0.7760000    
 H    2.646500     -0.7456000       1.448200    
 H    2.901900       2.934900      -1.237600    
 H   0.8132000       4.216500      -1.473200    
 H   -4.215900      -1.378900      -2.172600    
 H   -1.934100       1.678200       3.571200    
 H  -0.4679000       1.063100       2.774400    
 H   -1.129900       2.652100       2.321000    
 H   -5.818000     -0.3758000       2.415000    
 H    4.812300      -2.508600       2.170400    
 H    6.863400     -0.2003000      -1.779200    
 H   -7.242700      -1.647400      0.8741000    
 H    7.125400      -3.070300       1.419200    
 H    8.129800      -1.931300     -0.5251000    


%chk=000063586-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063586

0 1
Br -6.554772 -3.366342 -1.446605
O -1.672632 -0.603827 -1.468500
N -1.775938 0.921449 0.326790
N 3.170443 -1.009876 0.043974
N -3.646683 0.991530 1.847180
N 4.420957 0.879657 -0.244443
C -0.481165 1.460996 -0.070888
C 1.940445 1.177873 -0.294332
C 0.673451 0.671269 0.093022
C -2.447033 1.414475 1.474630
C 3.167466 0.381303 -0.169172
C -3.667184 -0.575337 -0.078060
C -2.322390 -0.133988 -0.492141
C -4.284740 0.009430 1.071324
C 4.505482 -1.429354 0.106090
C -0.401227 2.755013 -0.628340
C 5.275926 -0.226724 -0.073795
C 2.027374 2.495680 -0.821881
C 0.864825 3.271152 -0.990183
C -4.333809 -1.578947 -0.828674
C -1.746545 2.447235 2.324412
C -5.584031 -0.427891 1.452944
C 5.104834 -2.692117 0.290250
C 6.689296 -0.285549 -0.060771
C -5.611350 -1.983931 -0.425308
C -6.248524 -1.417235 0.711828
C 6.515652 -2.727412 0.297098
C 7.295074 -1.544075 0.125525
H 0.565290 -0.328756 0.526541
H -1.313123 3.340162 -0.787185
H 2.351321 -1.614559 0.056828
H 3.014368 2.876040 -1.101241
H 0.937776 4.277145 -1.415935
H -3.830113 -2.003563 -1.701709
H -2.335436 2.580069 3.242943
H -0.719230 2.134490 2.581795
H -1.666825 3.421295 1.810279
H -6.045550 0.025058 2.334911
H 4.516524 -3.605938 0.423021
H 7.280510 0.625215 -0.193972
H -7.247531 -1.752440 1.004732
H 7.026065 -3.686464 0.437989
H 8.387554 -1.621212 0.138831


