%chk=000158109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158109

0 1
 Br  -3.012900       2.382800      0.9547000    
 O  -0.8425000     -0.5158000      0.2899000    
 O   0.5506000     -0.9321000       2.085000    
 C    1.988900      0.8225000     -0.4199000    
 C    2.794800     -0.1310000      0.3944000    
 C    1.444600     -0.5367000     -9.0999998E-02
 C    1.440000       2.014700      0.2892000    
 C    2.348200       1.090000      -1.843600    
 C    3.970500     -0.7920000     -0.2035000    
 C   0.3643000     -0.6883000      0.9006000    
 C    5.233200     -0.3277000     -0.2671000    
 C    6.325700      -1.131200     -0.9159000    
 C    5.664000       1.000500      0.2877000    
 C   -1.985900     -0.6375000       1.142100    
 C   -3.228200     -0.4229000      0.3283000    
 C   -3.784900      0.8419000      0.1633000    
 C   -3.818200      -1.535600     -0.2651000    
 C   -4.941200      0.9958000     -0.6014000    
 C   -4.974700      -1.381500      -1.029700    
 C   -5.536200     -0.1160000      -1.197900    
 H    2.911800      7.3799998E-02   1.454100    
 H    1.393700      -1.258700     -0.9019000    
 H    1.270400       1.841600       1.357500    
 H    2.133600       2.859100      0.2087000    
 H   0.4859000       2.319900     -0.1540000    
 H    3.182700       1.797000      -1.904500    
 H    2.632200      0.1866000      -2.394400    
 H    1.496800       1.530400      -2.374600    
 H    3.779100      -1.776400     -0.6287000    
 H    6.758700     -0.5745000      -1.753500    
 H    7.119500      -1.345000     -0.1928000    
 H    5.963800      -2.088600      -1.305200    
 H    6.438200      0.8585000       1.048800    
 H    6.074000       1.627400     -0.5110000    
 H    4.843100       1.554600      0.7520000    
 H   -1.912700      5.1899999E-02   1.989700    
 H   -1.999500      -1.648400       1.571300    
 H   -3.390900      -2.527600     -0.1458000    
 H   -5.393300       1.974100     -0.7439000    
 H   -5.437500      -2.246900      -1.494800    
 H   -6.436500      3.7000000E-03  -1.793500    


%chk=000158109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158109

0 1
Br -2.821217 2.140819 0.259106
O -0.673646 -0.599186 0.210003
O 0.511385 0.653816 1.796482
C 2.070708 1.693661 -0.803599
C 2.897960 0.606082 -0.096978
C 1.400503 0.322408 -0.465518
C 1.689206 2.935499 -0.000718
C 2.287537 1.970401 -2.291099
C 3.985635 -0.164869 -0.751915
C 0.422374 0.179023 0.635454
C 5.082475 -0.710553 -0.145008
C 6.119585 -1.468201 -0.958105
C 5.381318 -0.629147 1.341412
C -1.770347 -0.800967 1.210820
C -3.090670 -0.786481 0.481074
C -3.697620 0.400197 -0.005190
C -3.785845 -2.005252 0.263199
C -4.934170 0.388199 -0.681131
C -5.027146 -2.041902 -0.406718
C -5.601726 -0.841950 -0.881407
H 3.019591 0.791037 0.976674
H 1.209218 -0.331097 -1.321002
H 1.506911 2.698988 1.060426
H 2.501814 3.683934 -0.060937
H 0.769935 3.396585 -0.410730
H 3.149428 2.649495 -2.434225
H 2.479411 1.053593 -2.874714
H 1.393035 2.458892 -2.720101
H 3.889126 -0.306202 -1.838688
H 7.121364 -1.004173 -0.857160
H 6.219028 -2.512861 -0.600592
H 5.862564 -1.496527 -2.031335
H 5.477938 -1.645609 1.772316
H 6.350254 -0.120244 1.516763
H 4.609025 -0.093759 1.915908
H -1.686076 -0.006247 1.973392
H -1.596616 -1.781353 1.687417
H -3.332884 -2.935594 0.625838
H -5.372276 1.323036 -1.042556
H -5.540029 -2.997154 -0.558876
H -6.563860 -0.853936 -1.404381


