%chk=000113256.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113256

0 1
 Br  -3.653100      -1.301300       2.390400    
 O    7.475300       1.023100      0.8336000    
 O    4.491700      -2.466200      0.3112000    
 O    1.979900      -2.433200      -1.275800    
 O   -9.068400      7.2600000E-02 -0.7447000    
 O   -8.746500      -1.432900      0.8202000    
 N    5.710900     -0.4986000      0.6447000    
 N    3.082000       2.014300     -0.1706000    
 N  -0.1538000      -1.482400     -0.9611000    
 N   -2.249500      0.3450000     -0.4180000    
 N   -2.931600       1.019000      0.3880000    
 N   -8.323300     -0.5164000      7.5099997E-02
 C    4.611200      0.4228000      0.8582000    
 C    4.173700       1.104900     -0.4287000    
 C    7.880600      -1.311700      0.3988000    
 C    6.898300      -2.458000      0.2241000    
 C    7.029400     -0.1018000      0.6548000    
 C    5.539900      -1.841300      0.3943000    
 C    3.394100       3.401500      0.1763000    
 C    1.747500       1.590200     -0.2338000    
 C    1.450700      0.2682000     -0.5650000    
 C    3.238600       4.292100      -1.041300    
 C   0.7164000       2.490600      3.4000002E-02
 C   0.1226000     -0.1535000     -0.6282000    
 C  -0.6117000       2.068900     -2.9200001E-02
 C  -0.9086000      0.7469000     -0.3603000    
 C   0.7554000      -2.505100      -1.255700    
 C   5.2900001E-02  -3.803000      -1.566000    
 C   -4.276600      0.6158000      0.3295000    
 C   -4.769100     -0.4004000       1.148500    
 C   -5.124800       1.257000     -0.5731000    
 C   -6.958300     -0.1341000      0.1620000    
 C   -6.110000     -0.7753000       1.064700    
 C   -6.465800      0.8820000     -0.6568000    
 H    4.929600       1.173800       1.591300    
 H    3.777000     -0.1342000       1.299900    
 H    5.028500       1.679500     -0.8137000    
 H    3.982000      0.3939000      -1.239900    
 H    8.545700      -1.482300       1.250300    
 H    8.479300      -1.158400     -0.5038000    
 H    7.050100      -3.232800      0.9812000    
 H    6.979100      -2.903800     -0.7717000    
 H    4.437600       3.468600      0.5112000    
 H    2.811900       3.763500       1.030900    
 H    2.256800     -0.4184000     -0.7410000    
 H    3.510600       5.322200     -0.7893000    
 H    2.218800       4.304700      -1.435200    
 H    3.897500       3.961700      -1.851900    
 H   0.8759000       3.530500      0.2955000    
 H   -1.382300       2.811200      0.1646000    
 H   -1.142600      -1.723000     -0.9893000    
 H  -0.6108000      -3.669200      -2.424900    
 H  -0.5312000      -4.123700     -0.6988000    
 H   0.7894000      -4.575400      -1.803900    
 H   -4.751600       2.050800      -1.215100    
 H   -6.477100      -1.570000       1.710500    
 H   -7.097200       1.403700      -1.371500    


%chk=000113256-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113256

0 1
Br -5.088119 2.544283 2.503706
O 7.041922 1.527762 0.823203
O 5.759817 -2.834242 -0.303435
O 1.451909 -2.614798 -1.557019
O -9.049102 -1.214320 -1.087292
O -9.595691 0.258845 0.572270
N 6.113779 -0.569748 0.281180
N 3.122976 1.674805 0.033568
N -0.508606 -1.536533 -0.855106
N -2.324995 0.211178 0.004650
N -3.233334 1.033916 0.509432
N -8.733437 -0.341963 -0.183408
C 4.720310 -0.196293 0.561331
C 4.161297 0.784856 -0.518135
C 8.483335 -0.392366 0.093419
C 8.056447 -1.830183 -0.291637
C 7.184422 0.336522 0.445346
C 6.532384 -1.867626 -0.128561
C 3.626137 2.950433 0.609332
C 1.778038 1.333065 0.037387
C 1.351235 0.047834 -0.426907
C 3.598301 4.121015 -0.398367
C 0.782393 2.268575 0.511134
C -0.011145 -0.291394 -0.425086
C -0.563939 1.923621 0.519811
C -1.004706 0.648073 0.052737
C 0.195321 -2.617706 -1.387940
C -0.667479 -3.816312 -1.766615
C -4.570338 0.618908 0.335940
C -5.583024 1.245438 1.130227
C -4.992047 -0.339319 -0.640901
C -7.306494 -0.018473 -0.006377
C -6.940538 0.935237 0.971585
C -6.341619 -0.662166 -0.818126
H 4.690893 0.306760 1.544565
H 4.129028 -1.125888 0.610230
H 4.989227 1.424599 -0.867442
H 3.780981 0.226941 -1.389244
H 9.159700 -0.359366 0.964718
H 8.990178 0.146101 -0.725648
H 8.502963 -2.605059 0.354241
H 8.310010 -2.095503 -1.332248
H 4.665839 2.771926 0.940306
H 3.043295 3.200148 1.513276
H 2.053577 -0.706833 -0.780517
H 4.004259 5.034360 0.072851
H 2.572295 4.334240 -0.745170
H 4.217833 3.893545 -1.284323
H 1.076817 3.262522 0.855062
H -1.325345 2.623665 0.876998
H -1.532179 -1.597461 -0.751771
H -0.619780 -3.964863 -2.859889
H -1.724236 -3.714095 -1.466710
H -0.246942 -4.721510 -1.297241
H -4.218339 -0.800264 -1.261625
H -7.716720 1.404841 1.580064
H -6.671763 -1.387132 -1.566329


