%chk=000145253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145253

0 1
 Br  -6.937700     -0.5965000      -1.124800    
 O   -1.151100       1.697600       1.790400    
 O   0.2874000     -0.1424000      -1.703200    
 N   0.2506000      -1.070600       1.194000    
 C  -0.1496000     -4.1000000E-03  0.5709000    
 C   -2.699700      0.4538000      0.4860000    
 C    1.791700       1.289000     -0.5447000    
 C   -1.351800      0.7890000      0.9973000    
 C   0.6617000      0.3796000     -0.6469000    
 C   -2.841000     -0.6032000     -0.3932000    
 C   -3.781700       1.207500      0.9004000    
 C    1.368100      -1.779500      0.7225000    
 C    2.145800       1.825400      0.6933000    
 C    2.521600       1.625100      -1.684800    
 C   -4.111400     -0.9182000     -0.8757000    
 C   -5.051900      0.8925000      0.4180000    
 C    3.229700       2.698000      0.7912000    
 C    3.605500       2.497600      -1.587000    
 C   -5.216700     -0.1703000     -0.4701000    
 C    2.639200      -1.452100       1.184400    
 C    1.195900      -2.804200     -0.2030000    
 C    3.959500       3.034000     -0.3490000    
 C    3.748800      -2.155900      0.7163000    
 C    2.305400      -3.508200     -0.6710000    
 C    3.581800      -3.183900     -0.2114000    
 H   -2.007000      -1.211800     -0.7243000    
 H   -3.672300       2.038800       1.590700    
 H    1.602100       1.591600       1.603300    
 H    2.263300       1.218200      -2.658900    
 H   -4.223300      -1.750500      -1.565900    
 H   -5.902900       1.485200      0.7436000    
 H    3.505400       3.116300       1.754900    
 H    4.174100       2.759300      -2.474500    
 H    2.780900     -0.6737000       1.928200    
 H   0.2050000      -3.064400     -0.5655000    
 H    4.803400       3.713300     -0.2728000    
 H    4.742000      -1.907300       1.078800    
 H    2.175400      -4.309000      -1.393100    
 H    4.445600      -3.732900     -0.5748000    


%chk=000145253-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145253

0 1
Br -7.057205 -0.446997 -0.910857
O -0.964138 1.618089 1.867906
O 0.054209 0.088214 -2.007923
N 0.397079 -1.049724 1.107790
C -0.037991 -0.043870 0.403710
C -2.596186 0.442377 0.517120
C 1.672968 1.461951 -0.828558
C -1.219927 0.740659 0.990876
C 0.554964 0.488861 -0.910253
C -2.837286 -0.480373 -0.535645
C -3.692817 1.104298 1.136183
C 1.507390 -1.877121 0.768700
C 2.114101 1.971440 0.424189
C 2.299216 1.894782 -2.031571
C -4.154505 -0.743638 -0.964148
C -5.011231 0.845619 0.721441
C 3.173224 2.901474 0.468331
C 3.358534 2.818550 -1.980016
C -5.224738 -0.079999 -0.327132
C 2.355537 -2.264498 1.842121
C 1.740507 -2.401346 -0.534765
C 3.798008 3.322299 -0.729098
C 3.455344 -3.112580 1.605235
C 2.826678 -3.276018 -0.752967
C 3.695635 -3.624411 0.306855
H -1.997945 -0.971995 -1.038764
H -3.488723 1.815848 1.942924
H 1.614283 1.661436 1.349014
H 1.937298 1.492698 -2.983782
H -4.344301 -1.448086 -1.778282
H -5.857059 1.348680 1.198008
H 3.509653 3.299889 1.431102
H 3.844423 3.149658 -2.904021
H 2.134544 -1.885556 2.844953
H 1.061640 -2.154063 -1.356692
H 4.623332 4.042221 -0.690527
H 4.114618 -3.389906 2.435102
H 2.992765 -3.686749 -1.755121
H 4.539899 -4.299014 0.128160


