%chk=000116538.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116538

0 1
 Br  -1.702100       4.538500       1.273400    
 O   -1.375300      -2.221900      4.0000002E-03
 O   -5.702300      0.9111000      7.5999998E-02
 N   0.2335000     -0.2509000      0.5815000    
 N   -4.336100       3.020800      0.6572000    
 N    3.455900       2.875400     -0.7725000    
 N    1.822400       1.335000     -9.6600004E-02
 N    2.469300     -0.9270000      0.3750000    
 N    4.118100      0.6727000     -0.3179000    
 C   -2.217600     -2.9999999E-02  0.3252000    
 C   -3.347800      0.7899000      0.3451000    
 C   -3.681400      -2.034300     -0.2428000    
 C  -0.9547000      0.5153000      0.5857000    
 C   -4.811700      -1.214300     -0.2233000    
 C   -2.343200      -1.472100      3.1099999E-02
 C   -4.686300      0.2277000      7.1599998E-02
 C   -3.215300       2.155100      0.6259000    
 C  -0.8270000       1.876200      0.8651000    
 C   -1.954900       2.694400      0.8852000    
 C   -3.814000      -3.399400     -0.5237000    
 C   -6.074500      -1.759500     -0.4844000    
 C    2.493800       3.927200     -0.8811000    
 C   -5.074200      -3.938600     -0.7836000    
 C   -6.202100      -3.120500     -0.7637000    
 C    1.568100      6.6600002E-02  0.2730000    
 C    3.115600       1.564100     -0.3763000    
 C    1.727900       3.774000      -2.188500    
 C    3.201700       5.273900     -0.8071000    
 C    3.720700     -0.5514000      6.4900003E-02
 C    4.740100      -1.563900      0.1523000    
 C    4.422100      -2.906100     -7.9499997E-02
 C    6.056600      -1.213600      0.4692000    
 C    5.409700      -3.887400      4.8000002E-03
 C    7.044300      -2.195100      0.5534000    
 C    6.720800      -3.531900      0.3212000    
 H   0.1249000       2.319300       1.137400    
 H   0.1015000      -1.241700      0.7543000    
 H   -2.951900      -4.060500     -0.5455000    
 H   -6.971000      -1.145500     -0.4758000    
 H    1.786900       3.895000     -4.3000001E-02
 H   -5.176300      -4.997900      -1.001500    
 H   -7.182100      -3.542900     -0.9662000    
 H   -5.268200       2.678900      0.4743000    
 H   -4.199500       4.002100      0.8622000    
 H    4.422800       3.032700      -1.033100    
 H    1.171500       2.832100      -2.229600    
 H    2.404100       3.793700      -3.051000    
 H    1.004800       4.587700      -2.309700    
 H    3.924600       5.392100      -1.622300    
 H    2.482400       6.097200     -0.8697000    
 H    3.749600       5.374700      0.1365000    
 H    3.411800      -3.215100     -0.3376000    
 H    6.339700     -0.1820000      0.6651000    
 H    5.158700      -4.928200     -0.1780000    
 H    8.064900      -1.918900      0.8019000    
 H    7.489900      -4.296000      0.3869000    


%chk=000116538-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116538

0 1
Br -2.039679 4.693678 -0.410333
O -1.319185 -2.300505 0.035794
O -5.955297 0.710749 -0.094723
N 0.137532 -0.179963 -0.113686
N -4.612116 2.893821 -0.257717
N 3.642632 3.032925 -0.233574
N 1.831558 1.523260 -0.200293
N 2.344959 -0.854819 -0.093060
N 4.153066 0.758524 -0.158552
C -2.311615 -0.088471 -0.090221
C -3.527409 0.693126 -0.126331
C -3.712027 -2.213862 0.073541
C -1.036683 0.574085 -0.148884
C -4.904276 -1.439088 0.039307
C -2.381728 -1.562025 0.007051
C -4.846254 0.040803 -0.063995
C -3.476314 2.134148 -0.222318
C -0.996569 2.004322 -0.245509
C -2.169008 2.735226 -0.279286
C -3.791921 -3.626850 0.172501
C -6.165206 -2.084961 0.104259
C 2.783845 4.236169 -0.304768
C -5.046539 -4.260781 0.236943
C -6.237038 -3.487103 0.202778
C 1.472490 0.205251 -0.137336
C 3.190290 1.743963 -0.199622
C 2.317133 4.507467 -1.755422
C 3.551867 5.432639 0.291313
C 3.676862 -0.524158 -0.109487
C 4.662630 -1.633916 -0.071919
C 4.218077 -2.982229 -0.025805
C 6.055226 -1.354956 -0.083073
C 5.155532 -4.034951 0.007881
C 6.989242 -2.410325 -0.048921
C 6.542910 -3.753249 -0.003512
H -0.010584 2.473538 -0.288144
H -0.037326 -1.213889 -0.052667
H -2.857738 -4.195593 0.196386
H -7.064727 -1.463030 0.075768
H 1.892538 4.029094 0.316486
H -5.105816 -5.351696 0.313392
H -7.212292 -3.983075 0.253273
H -5.507444 2.371227 -0.211248
H -4.546438 3.908917 -0.323288
H 4.659467 3.137457 -0.249869
H 1.792901 3.626699 -2.164234
H 3.179408 4.737199 -2.408194
H 1.621818 5.366478 -1.781207
H 4.466774 5.650248 -0.293659
H 2.920168 6.337301 0.268314
H 3.842726 5.240000 1.339200
H 3.141343 -3.175328 -0.017658
H 6.376971 -0.309982 -0.118498
H 4.807905 -5.073343 0.042999
H 8.062599 -2.190327 -0.057568
H 7.269957 -4.573037 0.022793


