%chk=000045331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045331

0 1
 Br   6.248300      -1.128900      0.6031000    
 O  -0.5387000      -1.415600     -7.6399997E-02
 N   -4.096300      -2.373800     -0.1811000    
 C   0.2579000     -0.4163000     -0.6979000    
 C  -0.2637000      0.9604000     -0.3425000    
 C    1.730000     -0.5902000     -0.3775000    
 C   -1.895200      -1.335700     -0.4941000    
 C   -2.687000      -2.428500      0.2061000    
 C  -0.8076000       1.753500      -1.337300    
 C  -0.1845000       1.393200      0.9692000    
 C    2.672200     -0.1814000      -1.302700    
 C    2.093000      -1.154400      0.8314000    
 C   -1.216600       3.475200      0.3074000    
 C   -1.287700       3.021400      -1.009500    
 C  -0.6650000       2.661200       1.296800    
 C   -4.664800      -1.065900      0.1430000    
 C   -4.850200      -3.437300      0.4815000    
 C    4.026200     -0.3426000      -1.008700    
 C    3.447000      -1.315400       1.125700    
 C    4.413700     -0.9094000      0.2056000    
 C   -1.731000       4.830400      0.6578000    
 H   0.1628000     -0.5775000      -1.781900    
 H   -2.296000     -0.3617000     -0.2132000    
 H   -1.958700      -1.457200      -1.582500    
 H   -2.256500      -3.400000     -6.9100000E-02
 H   -2.559800      -2.337300       1.293500    
 H  -0.8688000       1.411200      -2.366000    
 H   0.2248000      0.7720000       1.758800    
 H    2.380500      0.2624000      -2.250000    
 H    1.358500      -1.475300       1.563700    
 H   -1.713900       3.646900      -1.789500    
 H  -0.6060000       3.002800       2.326800    
 H   -4.327500     -0.2896000     -0.5509000    
 H   -4.451100     -0.7559000       1.172500    
 H   -5.755600      -1.085300      2.5800001E-02
 H   -5.893800      -3.436600      0.1475000    
 H   -4.836800      -3.336100       1.572900    
 H   -4.440400      -4.419600      0.2211000    
 H    4.766700     -2.0800000E-02  -1.736400    
 H    3.732200      -1.758400       2.076600    
 H  -0.9328000       5.572500      0.5578000    
 H   -2.562200       5.118500      5.2000000E-03
 H   -2.107700       4.856500       1.686100    


%chk=000045331-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045331

0 1
Br 6.251401 -1.506414 0.734730
O -0.630034 -1.263015 0.056599
N -4.177504 -2.452273 0.073963
C 0.211520 -0.312942 -0.698082
C -0.215002 1.136008 -0.459742
C 1.665332 -0.596308 -0.310026
C -2.037130 -1.262315 -0.373281
C -2.726758 -2.411521 0.376363
C -0.736890 1.919058 -1.514045
C -0.127682 1.710182 0.834720
C 2.692410 0.276074 -0.748692
C 2.015346 -1.740881 0.444170
C -1.068679 3.831669 0.001754
C -1.154429 3.251672 -1.287574
C -0.550345 3.034191 1.059791
C -4.955961 -1.448789 0.829202
C -4.756096 -3.804460 0.204933
C 4.047154 0.014574 -0.448647
C 3.366484 -2.014203 0.760819
C 4.366323 -1.132955 0.305990
C -1.511739 5.262305 0.255536
H 0.088064 -0.529635 -1.786115
H -2.504701 -0.284790 -0.139731
H -2.106849 -1.429065 -1.469105
H -2.269052 -3.362580 0.049134
H -2.518511 -2.307492 1.470026
H -0.820569 1.487135 -2.519893
H 0.270056 1.108300 1.659875
H 2.437806 1.175434 -1.321023
H 1.222856 -2.411319 0.785255
H -1.553711 3.844403 -2.119363
H -0.476757 3.463267 2.067062
H -4.545070 -0.438088 0.664765
H -4.963094 -1.642080 1.932669
H -6.002270 -1.448089 0.474432
H -5.809827 -3.788567 -0.128092
H -4.735206 -4.201957 1.251940
H -4.206239 -4.511190 -0.441298
H 4.833485 0.692693 -0.792131
H 3.630053 -2.898557 1.348233
H -0.666135 5.888843 0.597048
H -1.926570 5.725602 -0.655992
H -2.287580 5.309476 1.042523


