%chk=000156386.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156386

0 1
 Br  0.6825000       5.790600     -0.5629000    
 F   -4.403100       3.490800      0.7628000    
 O    3.695700      -3.236200      0.4383000    
 O   -4.060300      -2.759400      0.3386000    
 N    3.230800      0.2646000      0.1039000    
 N  -1.0400000E-02  -2.449100      8.3200000E-02
 N    4.909800      -1.263200      0.3604000    
 C    2.562500      -1.062000      0.1650000    
 C    1.866600      -1.416100      -1.161700    
 C    1.667800      -1.198400       1.410100    
 C   0.9143000      -2.610100      -1.045300    
 C   0.7288000      -2.407300       1.350500    
 C    3.754700      -2.019000      0.3381000    
 C    4.678800      0.1376000      0.2221000    
 C  -0.9846000      -3.541300      0.1001000    
 C    2.653000       1.517700     -4.7100000E-02
 C   -1.768100      -3.571500      -1.213700    
 C    3.434900       2.705400     -9.1799997E-02
 C    1.245600       1.686400     -0.1664000    
 C   -2.532600      -2.268600      -1.464200    
 C    2.853900       3.964600     -0.2436000    
 C   0.6646000       2.945500     -0.3180000    
 C   -3.494300      -1.906700     -0.3413000    
 C    1.468800       4.084600     -0.3565000    
 C   -3.738000     -0.4658000     -4.6700001E-02
 C   -3.644800      0.4446000      -1.075900    
 C   -4.046600     -9.7700000E-02   1.244000    
 C   -3.871600       1.793000     -0.7999000    
 C   -4.273200       1.250800       1.520000    
 C   -4.185600       2.196100      0.4980000    
 H    1.295900     -0.5707000      -1.556600    
 H    2.615100      -1.638000      -1.934700    
 H    2.285400      -1.279100       2.315100    
 H    1.053500     -0.3077000       1.567600    
 H   0.4024000      -2.639800      -2.010300    
 H    1.483500      -3.544100     -0.9593000    
 H    1.294000      -3.334500       1.507900    
 H   2.5300000E-02  -2.323200       2.188700    
 H    5.203000      0.4786000     -0.6763000    
 H    5.070400      0.6337000       1.115900    
 H    5.834000      -1.669700      0.4652000    
 H   -1.667200      -3.423400      0.9486000    
 H  -0.4856000      -4.510200      0.2350000    
 H   -2.501900      -4.385100      -1.128900    
 H   -1.162300      -3.844900      -2.082300    
 H    4.518400       2.667200     -8.1000002E-03
 H   0.5632000      0.8435000     -0.1458000    
 H   -1.816400      -1.456800      -1.626300    
 H   -3.126400      -2.374100      -2.379700    
 H    3.494200       4.842400     -0.2721000    
 H  -0.4163000       3.022200     -0.4051000    
 H   -3.421800      0.1557000      -2.097700    
 H   -4.112100     -0.8216000       2.050400    
 H   -3.807300       2.529100      -1.595900    
 H   -4.516300       1.565300       2.530600    


%chk=000156386-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156386

0 1
Br 0.335337 5.571148 -0.651505
F -5.148259 3.775262 0.623765
O 4.071629 -3.338510 0.395922
O -3.786578 -2.489605 0.774159
N 3.342432 0.170148 0.052980
N 0.216845 -2.681296 0.008664
N 5.129676 -1.236171 0.319587
C 2.767455 -1.208013 0.115718
C 2.070880 -1.602850 -1.229815
C 1.848191 -1.399857 1.369405
C 1.178227 -2.854065 -1.109728
C 0.964885 -2.660949 1.291973
C 4.035449 -2.082782 0.293190
C 4.813021 0.182682 0.172004
C -0.894567 -3.667998 0.001869
C 2.640811 1.371327 -0.109196
C -1.912699 -3.426030 -1.139187
C 3.354575 2.610065 -0.173997
C 1.213292 1.429917 -0.212151
C -2.423313 -1.973542 -1.185314
C 2.683088 3.839267 -0.334127
C 0.544554 2.659209 -0.366644
C -3.373935 -1.612380 -0.042657
C 1.279065 3.859872 -0.430385
C -3.821545 -0.181556 0.096410
C -3.386355 0.847310 -0.783903
C -4.712554 0.146781 1.155675
C -3.825716 2.176800 -0.614604
C -5.162779 1.466665 1.341709
C -4.705182 2.453214 0.447635
H 1.449656 -0.758489 -1.572038
H 2.848712 -1.766991 -1.999895
H 2.483580 -1.442598 2.274504
H 1.195067 -0.518860 1.475771
H 0.620882 -2.980568 -2.055156
H 1.807457 -3.763971 -0.961751
H 1.593792 -3.575298 1.409962
H 0.238997 -2.638455 2.125718
H 5.295758 0.615773 -0.732356
H 5.147470 0.770730 1.055256
H 6.080909 -1.586441 0.429695
H -1.427269 -3.576580 0.964999
H -0.516889 -4.718652 -0.067677
H -2.760450 -4.118195 -0.982389
H -1.462714 -3.679421 -2.118397
H 4.445828 2.631612 -0.100794
H 0.607130 0.522748 -0.163982
H -1.548491 -1.293976 -1.145568
H -2.946507 -1.770533 -2.142783
H 3.258090 4.768785 -0.381253
H -0.548183 2.671124 -0.426215
H -2.705560 0.617665 -1.609155
H -5.036816 -0.658683 1.822308
H -3.504759 2.982805 -1.281099
H -5.847020 1.737105 2.150840


