%chk=000178994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178994

0 1
 Br   1.385400      -2.153400      -2.397100    
 Br -0.1229000      -3.214500      0.2486000    
 O    3.384100      -1.010700       1.742100    
 O   -1.189800     -0.6835000      -1.771900    
 N  -0.5630000      0.2540000      0.2410000    
 N    2.282600      -1.728600       1.292500    
 C   -1.588300       1.270600      0.2624000    
 C   -2.998800      0.6666000      0.2722000    
 C   -1.395300       2.149000     -0.9876000    
 C   -1.366900       2.124600       1.524400    
 C  -0.4386000     -0.6661000     -0.7970000    
 C   0.7502000      -1.641100     -0.5906000    
 C   -4.017600       1.373100     -0.3202000    
 C   -3.183700     -0.5549000      0.8733000    
 C    1.908400      -1.126600      0.1595000    
 C    2.728500     -2.7300000E-02 -0.1602000    
 C   -5.300000      0.8244000     -0.3108000    
 C   -4.466000      -1.103700      0.8826000    
 C    3.647900      3.5999999E-03  0.8738000    
 C   -5.524100     -0.4141000      0.2904000    
 C    2.813700      0.9354000      -1.176800    
 C    4.673000      0.9382000      0.9839000    
 C    3.835100       1.892800      -1.097900    
 C    4.746200       1.892300     -3.6499999E-02
 H   3.6600001E-02  0.1696000       1.056000    
 H  -0.3347000       2.400600      -1.121500    
 H   -1.728600       1.675700      -1.917500    
 H   -1.916900       3.109700     -0.9017000    
 H  -0.3671000       2.575000       1.528500    
 H   -1.456900       1.521500       2.436100    
 H   -2.101000       2.935600       1.594200    
 H   -3.896500       2.348200     -0.7755000    
 H   -2.387200      -1.097400       1.370100    
 H   -6.125600       1.363800     -0.7660000    
 H   -4.642300      -2.064400       1.357600    
 H   -6.523100     -0.8400000      0.3004000    
 H    2.111100      0.9594000      -2.003600    
 H    5.374000      0.9299000       1.809600    
 H    3.917700       2.649500      -1.874000    
 H    5.526700       2.648500     -3.1999999E-03


%chk=000178994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178994

0 1
Br 1.173564 -2.119106 2.012005
Br 1.922863 0.528545 3.866563
O 4.771280 0.450682 0.358920
O 0.333492 1.790848 0.898541
N -0.986197 0.194067 1.985909
N 3.891671 0.359506 1.526659
C -2.319329 0.828454 1.726603
C -2.588257 0.848519 0.200287
C -2.349251 2.231710 2.381206
C -3.371180 -0.084568 2.415247
C 0.199565 0.719110 1.559947
C 1.494096 -0.046436 1.974749
C -3.115460 1.982597 -0.461888
C -2.353908 -0.328464 -0.559209
C 2.642743 0.177040 1.040288
C 2.617663 0.134632 -0.414226
C -3.403831 1.942925 -1.845657
C -2.640147 -0.372100 -1.940196
C 3.974081 0.306480 -0.792105
C -3.170286 0.766679 -2.591196
C 1.629954 -0.019375 -1.419296
C 4.422599 0.330421 -2.123086
C 2.053465 -0.003480 -2.761662
C 3.427194 0.167050 -3.108572
H -0.964948 -0.691654 2.499519
H -2.093148 2.140202 3.451195
H -1.623838 2.909626 1.904011
H -3.359205 2.671932 2.311456
H -3.198945 -0.124192 3.507077
H -3.344222 -1.111656 2.007859
H -4.382334 0.317631 2.238933
H -3.288354 2.911680 0.089083
H -1.936988 -1.217489 -0.069187
H -3.805013 2.834428 -2.340706
H -2.453912 -1.291948 -2.506439
H -3.394660 0.737184 -3.663202
H 0.570272 -0.122024 -1.172053
H 5.477219 0.469818 -2.372580
H 1.312316 -0.112133 -3.560128
H 3.715677 0.178156 -4.165070


