%chk=000166411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166411

0 1
 Br  -6.358600      -1.160100      0.8659000    
 O  -0.1676000      -1.037000       2.306000    
 O  -0.9061000      -2.138100      -2.250700    
 O   -3.722100      -2.670300      0.8083000    
 O    5.571600      -1.167800      0.7151000    
 N    5.140400       1.090000      0.2896000    
 N   -2.060900      0.4015000     -0.2071000    
 C   -1.125100      -1.787700      0.1713000    
 C    1.199100      -1.148100      0.3651000    
 C   0.9823000      -1.470800     -0.9718000    
 C  -4.7100000E-02  -1.288000       1.121600    
 C  -0.4194000      -1.842900      -1.175400    
 C   -2.306000     -0.8846000      0.1447000    
 C    2.440200     -0.7518000      0.8241000    
 C    3.480100     -0.6879000     -0.1075000    
 C    1.997200      -1.410800      -1.906800    
 C    3.260600      -1.014100      -1.460000    
 C   -3.563800      -1.364500      0.4646000    
 C    4.807000     -0.2761000      0.3243000    
 C   -3.094200       1.263700     -0.2496000    
 C   -4.410800      0.8635000      6.0400002E-02
 C   -4.626500     -0.4737000      0.4199000    
 C    6.441700       1.581600      0.7201000    
 C    4.203300       2.107900     -0.1806000    
 C   -2.880500       2.592200     -0.6069000    
 C   -5.465700       1.790300      5.9000002E-03
 C    7.426700       1.612900     -0.4361000    
 C    3.356800       2.644300      0.9612000    
 C   -3.929100       3.513800     -0.6611000    
 C   -5.223400       3.112800     -0.3543000    
 H   -1.353900      -2.820200      0.4578000    
 H    2.601600     -0.5099000       1.869200    
 H    1.830800      -1.658600      -2.948900    
 H    4.079500     -0.9577000      -2.173800    
 H    6.333100       2.574300       1.169400    
 H    6.829000      0.9100000       1.494500    
 H    4.767100       2.924300     -0.6462000    
 H    3.550000       1.703400     -0.9580000    
 H   -1.875500       2.931300     -0.8516000    
 H   -6.493000       1.525600      0.2363000    
 H    7.555000      0.6162000     -0.8713000    
 H    7.083400       2.281600      -1.231900    
 H    8.404500       1.964500     -9.3000002E-02
 H    2.770800       1.866300       1.452800    
 H    3.983800       3.113000       1.726900    
 H    2.661500       3.402900      0.5880000    
 H   -4.663500      -2.824900      0.9981000    
 H   -3.730900       4.543800     -0.9432000    
 H   -6.040500       3.826600     -0.3955000    


%chk=000166411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166411

0 1
Br -6.473338 -1.168845 1.333966
O -0.072990 -0.367128 2.217981
O -1.115812 -2.441374 -2.054559
O -3.605527 -2.501206 1.311065
O 5.876417 -1.031576 -0.621294
N 5.289608 0.993388 0.367615
N -2.306794 0.465658 -0.398842
C -1.144583 -1.569227 0.296027
C 1.221196 -0.908695 0.203990
C 0.918827 -1.512140 -1.041273
C 0.006316 -0.867333 1.070231
C -0.518356 -1.912067 -1.087243
C -2.400551 -0.733169 0.192759
C 2.515625 -0.435741 0.494258
C 3.521752 -0.572992 -0.493343
C 1.917377 -1.672583 -2.026052
C 3.216380 -1.209315 -1.735587
C -3.644355 -1.244462 0.721248
C 4.971632 -0.207272 -0.254919
C -3.438450 1.254604 -0.516868
C -4.742118 0.835993 -0.019899
C -4.789360 -0.449388 0.605097
C 6.733865 1.252449 0.617405
C 4.370726 2.146682 0.537615
C -3.312283 2.527458 -1.155132
C -5.858908 1.714122 -0.185750
C 7.457729 1.834635 -0.616093
C 4.085980 2.514171 2.009531
C -4.420448 3.364292 -1.303382
C -5.699373 2.951971 -0.814561
H -1.392880 -2.515638 0.815012
H 2.726331 0.003983 1.473307
H 1.680685 -2.150545 -2.981474
H 4.032190 -1.344638 -2.452726
H 6.809865 1.941859 1.477356
H 7.200805 0.293947 0.897908
H 4.826208 3.018877 0.025964
H 3.427131 1.931808 0.010893
H -2.319357 2.808918 -1.518164
H -6.841402 1.405123 0.185155
H 7.425107 1.112912 -1.448972
H 7.001369 2.785169 -0.948858
H 8.517164 2.035178 -0.373579
H 3.594475 1.686527 2.549520
H 5.012751 2.769625 2.553304
H 3.417785 3.393334 2.052430
H -4.507154 -2.765805 1.638589
H -4.314787 4.337201 -1.794624
H -6.563571 3.613953 -0.935230


