%chk=000288413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288413

0 1
Br -1.418814 -1.623002 0.798280
O 6.664944 -1.266913 0.729088
O 7.141525 1.203445 0.653431
O -6.640573 1.058234 -0.692628
O -0.837302 0.833094 -2.272617
O -6.155468 0.618206 1.737635
N 0.034723 -1.171949 -1.616237
C 1.771256 -0.548505 0.062748
C 1.400689 -0.626594 -1.430259
C 3.179959 -0.046354 0.219329
C -2.366979 -1.034939 -2.164944
C -3.320461 -0.594981 -1.093758
C -1.013447 -0.344987 -2.017934
C 4.234346 -0.970441 0.402405
C 3.447759 1.318818 0.175941
C 5.533877 -0.504875 0.543324
C -4.528760 0.044132 -1.463101
C 5.804944 0.902607 0.499324
C -3.065817 -0.812112 0.255958
C 4.763073 1.800601 0.316014
C -5.436021 0.435229 -0.490374
C -5.156374 0.187886 0.899451
C -3.970816 -0.431393 1.264310
C 6.489981 -2.702699 0.801188
C 7.505145 2.604658 0.619123
C -6.975704 1.428472 -2.054554
C -5.935252 0.458484 3.161844
H 1.059939 0.126378 0.588140
H 1.647924 -1.535658 0.548105
H 1.454808 0.393783 -1.886102
H 2.125857 -1.267585 -1.977408
H -2.757140 -0.779592 -3.176218
H -2.286314 -2.142732 -2.157332
H -0.088260 -2.162382 -1.442584
H 4.014434 -2.032412 0.431496
H 2.638420 2.033364 0.031002
H -4.721729 0.236783 -2.515866
H 4.941903 2.871395 0.278281
H -3.731306 -0.619960 2.309596
H 7.523516 -3.040698 0.954927
H 6.088726 -3.086452 -0.140599
H 5.860283 -2.968917 1.654472
H 8.592683 2.551407 0.760717
H 7.029198 3.143813 1.442754
H 7.257961 3.040555 -0.352755
H -6.232803 2.124192 -2.455881
H -7.083119 0.535735 -2.676234
H -7.943681 1.927607 -1.910307
H -5.851318 -0.601025 3.418818
H -5.058941 1.030420 3.480151
H -6.857476 0.891562 3.572637


%chk=000288413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288413

0 1
Br -2.810083 -3.736055 -0.169821
O 5.999193 -0.626429 1.685711
O 6.858309 1.454313 0.290340
O -5.140342 1.980439 0.155628
O -0.819624 0.352236 -2.909135
O -5.557882 0.270285 2.142368
N -0.162004 -1.588425 -1.800430
C 1.372733 -0.252010 -0.304633
C 1.220660 -1.133642 -1.579980
C 2.801512 0.240254 -0.136595
C -2.523025 -1.381792 -2.496983
C -3.321860 -1.025698 -1.252062
C -1.097291 -0.791615 -2.431526
C 3.706103 -0.436801 0.725218
C 3.271974 1.349789 -0.870949
C 5.048383 -0.019297 0.854380
C -3.863452 0.287382 -1.140399
C 5.513698 1.106933 0.101890
C -3.542836 -1.893567 -0.165945
C 4.615041 1.780601 -0.753254
C -4.593722 0.708418 -0.013264
C -4.814267 -0.211783 1.064863
C -4.280037 -1.514167 0.978178
C 5.557576 -1.773924 2.477883
C 7.360426 2.599553 -0.470013
C -4.911803 2.954604 -0.917123
C -5.795557 -0.648523 3.259041
H 0.677621 0.601198 -0.408272
H 1.052469 -0.836766 0.578910
H 1.525100 -0.542475 -2.460819
H 1.880417 -2.017704 -1.512703
H -3.000620 -0.938188 -3.386234
H -2.485197 -2.475530 -2.635763
H -0.475179 -2.463409 -1.372108
H 3.343833 -1.294423 1.302493
H 2.587213 1.888229 -1.536382
H -3.672219 0.980011 -1.965508
H 4.952279 2.646909 -1.330070
H -4.429867 -2.230992 1.788020
H 6.445225 -2.084910 3.048091
H 5.219169 -2.607615 1.830899
H 4.743865 -1.495109 3.176443
H 8.417990 2.689830 -0.181639
H 6.820326 3.530201 -0.205606
H 7.283904 2.425853 -1.561666
H -3.830887 3.139968 -1.067540
H -5.367486 2.617814 -1.868458
H -5.405223 3.874839 -0.573048
H -6.366910 -1.539374 2.932287
H -4.843689 -0.966201 3.727932
H -6.389956 -0.069531 3.980154


