%chk=000202132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202132

0 1
Br -4.979145 3.122314 2.115832
O -4.284293 -0.341470 -1.596552
O 6.394235 0.084366 -0.110827
C -2.043371 -0.206616 -0.729290
C -1.403391 -0.826749 0.553948
C 0.106176 -1.006818 0.357391
C -3.572738 -0.297075 -0.344549
C 0.726385 0.409858 0.170852
C -1.464823 1.204482 -0.917555
C -2.275731 -2.057307 0.856836
C -3.703027 -1.642246 0.435488
C 0.069157 1.139938 -1.023311
C 0.781355 -1.696351 1.551160
C -1.824236 -1.038330 -1.999617
C 2.233485 0.329541 0.051469
C 2.262788 -1.937752 1.243384
C 2.948178 -0.767125 0.590013
C -4.033382 0.827660 0.463092
C 2.949346 1.377653 -0.539402
C 4.343151 -0.802610 0.508835
C -5.722991 -0.334160 -1.511687
C 4.344453 1.363344 -0.632143
C 5.025696 0.262704 -0.104220
C -4.417608 1.755608 1.132034
C 7.205300 1.119690 -0.714230
H -1.550166 -0.104692 1.399787
H 0.297657 -1.613463 -0.559858
H 0.510502 1.006953 1.096552
H -1.756835 1.863882 -0.078294
H -1.888139 1.672537 -1.826200
H -2.233162 -2.332929 1.922092
H -1.936219 -2.940575 0.289989
H -4.157008 -2.401501 -0.224632
H -4.365968 -1.544770 1.308827
H 0.358231 0.635832 -1.966658
H 0.467542 2.170557 -1.094888
H 0.283481 -2.657259 1.776526
H 0.676778 -1.078551 2.463438
H -0.770776 -1.056973 -2.297667
H -2.156995 -2.073811 -1.874860
H -2.404716 -0.619833 -2.834650
H 2.366593 -2.819735 0.573805
H 2.794310 -2.211719 2.178478
H 2.412338 2.239566 -0.941687
H 4.916195 -1.634788 0.909961
H -6.085387 -1.171441 -0.910884
H -6.017593 -0.448907 -2.561980
H -6.076021 0.622001 -1.112488
H 4.865299 2.189348 -1.100005
H 7.081380 2.062667 -0.174317
H 6.962615 1.222564 -1.775642
H 8.218393 0.719492 -0.579398


%chk=000202132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202132

0 1
Br -4.770020 3.010175 2.540650
O -4.430740 -0.161800 -1.600780
O 6.520742 0.144826 0.041796
C -2.079206 -0.253276 -0.814226
C -1.424088 -0.843802 0.473239
C 0.098739 -1.010960 0.332979
C -3.599139 -0.286136 -0.384187
C 0.726390 0.391929 0.056496
C -1.473332 1.142021 -1.090709
C -2.299465 -2.079286 0.813785
C -3.735697 -1.695826 0.317332
C 0.077081 1.079787 -1.180050
C 0.765759 -1.631893 1.578520
C -1.904573 -1.163432 -2.059616
C 2.262068 0.322017 0.002236
C 2.254474 -1.917300 1.297627
C 2.975784 -0.749964 0.625694
C -3.939653 0.798661 0.568745
C 3.019780 1.346093 -0.616128
C 4.386809 -0.757966 0.608060
C -5.878808 -0.201045 -1.370899
C 4.432092 1.342917 -0.638766
C 5.120403 0.274963 -0.016681
C -4.280670 1.679024 1.363196
C 7.319146 1.196510 -0.588392
H -1.586881 -0.094929 1.281224
H 0.315372 -1.677523 -0.529675
H 0.457170 1.017946 0.940606
H -1.758010 1.831060 -0.270552
H -1.886386 1.565118 -2.026529
H -2.287595 -2.305384 1.894160
H -1.928687 -2.978971 0.286842
H -4.100940 -2.414923 -0.438936
H -4.464198 -1.672370 1.144858
H 0.396180 0.552242 -2.100312
H 0.451438 2.116699 -1.273326
H 0.255648 -2.571902 1.863327
H 0.663079 -0.932975 2.434259
H -0.846240 -1.222305 -2.363574
H -2.259717 -2.193562 -1.883745
H -2.486542 -0.752136 -2.900300
H 2.328486 -2.805356 0.635019
H 2.781796 -2.188929 2.232290
H 2.502312 2.182033 -1.098099
H 4.943635 -1.572707 1.084884
H -6.195415 -1.159852 -0.913232
H -6.334241 -0.103941 -2.369040
H -6.210786 0.637722 -0.727925
H 4.968121 2.160220 -1.130391
H 7.135906 2.182024 -0.116452
H 7.113815 1.264546 -1.674973
H 8.366103 0.898916 -0.428033


