%chk=000053510.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053510

0 1
 Br -0.4565000      -5.099800     -0.6168000    
 O   -1.257000       1.511900     -0.1472000    
 O   -3.047000       2.029000      -1.507000    
 O    3.273500      0.3432000       1.495600    
 N  -0.2936000       1.844000      -3.390300    
 C   -3.271200      0.3272000      0.2245000    
 C   -3.397100      0.7702000       1.710500    
 C   -2.577000      -1.008900      1.6500000E-02
 C   -4.104500       2.126100       1.842700    
 C   -4.174800     -0.2669000       2.534800    
 C   -2.543900       1.393900     -0.5888000    
 C   -1.551100      -1.369400      0.8677000    
 C   -2.992500      -1.824800      -1.016900    
 C  -0.4535000       2.471500     -0.8410000    
 C  -0.9147000      -2.596100      0.6776000    
 C   -2.356300      -3.051500      -1.207100    
 C   0.9080000       2.543100     -0.1900000    
 C   -1.317300      -3.437200     -0.3599000    
 C    1.459800       1.395600      0.3552000    
 C    1.577900       3.754900     -0.1518000    
 C    2.717100       1.461800      0.9557000    
 C  -0.3625000       2.120000      -2.265200    
 C    2.835100       3.821100      0.4487000    
 C    3.404800       2.674600       1.002300    
 C    3.211400     -0.8271000      0.7576000    
 C    3.512500     -0.7894000     -0.5917000    
 C    2.849300      -2.003000       1.389400    
 C    3.449100      -1.968100      -1.335000    
 C    2.786100      -3.181600      0.6461000    
 C    3.085900      -3.164100     -0.7161000    
 H   -4.289100      0.2564000     -0.1855000    
 H   -2.409700      0.9025000       2.168000    
 H   -3.530600       2.925500       1.363500    
 H   -5.099700       2.099600       1.385800    
 H   -4.224200       2.401800       2.896200    
 H   -5.172500     -0.4348000       2.114500    
 H   -4.302300      7.9099998E-02   3.566600    
 H   -3.663600      -1.231600       2.585500    
 H   -1.196000     -0.7383000       1.673700    
 H   -3.798800      -1.531900      -1.682600    
 H  -0.9426000       3.448100     -0.7253000    
 H  -0.1161000      -2.885700       1.353800    
 H   -2.681800      -3.694900      -2.020400    
 H   0.9172000      0.4557000      0.3238000    
 H    1.144100       4.653100     -0.5816000    
 H    3.370800       4.765200      0.4845000    
 H    4.384800       2.732200       1.468000    
 H    3.820300      0.1241000      -1.091900    
 H    2.614500      -2.017900       2.449400    
 H    3.687500      -1.955800      -2.394600    
 H    2.505500      -4.113000       1.128900    
 H    3.038700      -4.082000      -1.294400    


%chk=000053510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053510

0 1
Br -1.216816 -5.385174 -1.442436
O -1.216429 1.513045 -0.277807
O -3.106665 2.215335 -1.448247
O 3.685941 0.660154 1.230323
N 0.082855 1.514841 -3.507150
C -3.296688 0.361811 0.197613
C -3.214805 0.648520 1.739757
C -2.774226 -1.026469 -0.194086
C -3.673131 2.089127 2.064862
C -4.061582 -0.383608 2.518416
C -2.587402 1.452117 -0.609208
C -1.476706 -1.466879 0.175076
C -3.596773 -1.902690 -0.943260
C -0.384434 2.488602 -1.060610
C -1.010903 -2.748845 -0.187603
C -3.149347 -3.191200 -1.316512
C 0.907076 2.686540 -0.283542
C -1.857240 -3.597609 -0.930536
C 1.678557 1.550783 0.059850
C 1.327466 3.982741 0.086051
C 2.876396 1.726268 0.782950
C -0.143358 1.939540 -2.416196
C 2.537847 4.140448 0.803820
C 3.315804 3.020451 1.154898
C 3.454342 -0.667474 0.762354
C 3.526725 -0.989157 -0.611925
C 3.246289 -1.660994 1.741232
C 3.365528 -2.336150 -1.006257
C 3.094433 -3.006313 1.333328
C 3.146209 -3.346438 -0.039125
H -4.358851 0.438704 -0.102742
H -2.155148 0.544015 2.044047
H -3.026936 2.847712 1.586723
H -4.711797 2.262537 1.724706
H -3.640945 2.263220 3.155525
H -5.131391 -0.302056 2.244955
H -3.979183 -0.203665 3.605825
H -3.735312 -1.418903 2.317467
H -0.814102 -0.804085 0.740067
H -4.600108 -1.581404 -1.246214
H -0.952160 3.431828 -1.167197
H -0.004727 -3.071113 0.097005
H -3.794822 -3.856921 -1.896195
H 1.335992 0.551788 -0.224785
H 0.725681 4.857997 -0.182046
H 2.874190 5.141650 1.092178
H 4.250332 3.122096 1.714253
H 3.709797 -0.205776 -1.354517
H 3.212579 -1.373103 2.796260
H 3.414560 -2.594666 -2.069279
H 2.936235 -3.785184 2.087181
H 3.023550 -4.388391 -0.353248


