%chk=000157394.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157394

0 1
 Br   8.006700      0.1650000      -2.410500    
 Br  -8.518400      0.5419000      0.9429000    
 O    3.436700      -2.755400       1.044300    
 O   -3.287800      -2.967800     -0.3506000    
 N    2.691000      -1.559400     -0.7707000    
 N   -2.958400      -1.188000       1.065400    
 N    2.109000       1.672100       1.851500    
 N   -2.854100       1.556500     -0.7345000    
 N    3.623100       2.943800      0.8406000    
 N   -2.288100       3.455000      -1.738200    
 N    3.571600       2.832900       3.252300    
 N   -4.550200       2.630900      -1.925200    
 N    6.171300      -2.017000      0.4641000    
 N   -6.090400      -2.304000     -0.6059000    
 C   0.7221000     -0.8050000      0.3138000    
 C  -0.8110000     -0.6729000      0.2023000    
 C   0.8064000      0.6591000     -0.1655000    
 C  -0.6177000      0.8452000      0.3988000    
 C    1.306500      -1.880900     -0.5833000    
 C   -1.562900      -1.440200       1.274900    
 C    1.885300       1.526600      0.5114000    
 C   -1.532500       1.751800     -0.4475000    
 C    2.831700       2.321200     -9.1799997E-02
 C   -1.205700       2.929300      -1.078100    
 C    3.161300       2.532000       2.000400    
 C   -3.264000       2.604000      -1.511500    
 C    3.695400      -2.031800      8.0899999E-02
 C   -3.753300      -1.992600      0.2416000    
 C    5.070600      -1.642200     -0.2612000    
 C   -5.173700      -1.624900      0.1534000    
 C    5.503500     -0.8688000      -1.315700    
 C   -5.829300     -0.5870000      0.7783000    
 C    6.914000     -0.7754000      -1.220800    
 C   -7.187700     -0.6441000      0.3805000    
 C    7.300100      -1.494600     -0.1114000    
 C   -7.321100      -1.715200     -0.4752000    
 H    1.060200     -0.9389000       1.353200    
 H   -1.169900     -0.9333000     -0.8063000    
 H   0.8552000      0.7384000      -1.261700    
 H  -0.6487000       1.143300       1.456000    
 H    1.195900      -2.873800     -0.1362000    
 H   0.8410000      -1.888000      -1.574000    
 H   -1.364000      -2.514200       1.200700    
 H   -1.301800      -1.104900       2.283600    
 H    2.924900     -0.9581000      -1.553500    
 H   -3.360700     -0.3902000       1.545400    
 H    1.593100       1.226200       2.598400    
 H   -3.426200      0.7810000     -0.4309000    
 H    2.986200       2.477000      -1.149700    
 H  -0.2492000       3.431500      -1.092200    
 H    3.129900       2.447600       4.081500    
 H    4.347500       3.465600       3.418700    
 H   -5.219500       1.907200      -1.681400    
 H   -4.906300       3.385600      -2.503000    
 H    6.155300      -2.590600       1.296300    
 H   -5.891500      -3.114800      -1.175800    
 H    4.887000     -0.4130000      -2.078500    
 H   -5.394300      0.1414000       1.448900    
 H    8.272700      -1.682900      0.3217000    
 H   -8.177000      -2.112700      -1.003000    


%chk=000157394-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157394

0 1
Br 8.519553 0.820273 0.429766
Br -8.724953 0.855886 0.641035
O 3.662292 -3.474841 -0.231485
O -3.664490 -3.161753 -0.232027
N 2.952002 -1.332492 -0.857982
N -3.027492 -1.303753 1.043630
N 2.343112 1.724914 1.421683
N -3.046763 1.373253 -0.690642
N 3.789480 2.930473 0.157615
N -2.977122 3.614731 -1.017015
N 4.229518 2.814590 2.544545
N -5.034445 2.455848 -1.612165
N 6.263402 -2.608805 0.134952
N -6.304665 -2.334528 -0.309622
C 0.731954 -0.750459 0.000450
C -0.832477 -0.707104 0.013744
C 0.718881 0.791123 -0.340293
C -0.735645 0.845227 0.292621
C 1.520756 -1.668688 -0.943789
C -1.583957 -1.603762 1.011916
C 1.853257 1.652061 0.089714
C -1.747952 1.789024 -0.283249
C 2.758196 2.414382 -0.651873
C -1.740749 3.165403 -0.504976
C 3.503186 2.499588 1.405773
C -3.738621 2.504608 -1.118895
C 3.906999 -2.232899 -0.428847
C -3.959987 -2.071531 0.365355
C 5.262776 -1.691051 -0.185879
C -5.344911 -1.547670 0.324982
C 5.832498 -0.398652 -0.147049
C -5.978516 -0.355678 0.746345
C 7.204565 -0.581545 0.205416
C -7.345739 -0.464304 0.343544
C 7.458336 -1.954576 0.376902
C -7.531563 -1.696313 -0.310038
H 1.107181 -0.902980 1.033927
H -1.222086 -0.886177 -1.008144
H 0.603613 0.912157 -1.434322
H -0.634200 0.991416 1.391798
H 1.423874 -2.735175 -0.673151
H 1.158660 -1.545094 -1.984305
H -1.481399 -2.666154 0.728859
H -1.167808 -1.473829 2.029561
H 3.214554 -0.350778 -0.986182
H -3.339615 -0.475609 1.554395
H 1.887987 1.329976 2.242634
H -3.369713 0.406946 -0.722904
H 2.731589 2.627191 -1.719053
H -0.929985 3.867708 -0.322707
H 4.281188 2.168321 3.328621
H 5.022316 3.436299 2.396835
H -5.663317 1.690609 -1.379036
H -5.432853 3.339270 -1.919141
H 6.061747 -3.610010 0.189151
H -6.058565 -3.239519 -0.719223
H 5.339747 0.556587 -0.330899
H -5.534911 0.479376 1.287188
H 8.376261 -2.472554 0.640704
H -8.425181 -2.129456 -0.750769


