%chk=000291555.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291555

0 1
Br 0.926568 -0.992588 2.704807
O -1.950476 -2.447011 0.057504
O -4.982133 1.533592 0.074382
O -3.211450 2.056322 -1.187643
N 0.191441 -1.693450 0.017034
C 1.146770 -0.621516 -0.063775
C 1.593223 -0.045891 -1.268156
C -1.660549 -0.044751 0.100673
C -1.194482 -1.487376 0.058067
C 1.654492 -0.149669 1.162119
C 2.551023 0.982688 -1.199417
C 3.055573 1.435250 0.024526
C 2.596964 0.860998 1.229724
C 0.737367 -3.072122 -0.062204
C -3.182570 0.025270 0.203238
C 1.071893 -0.479300 -2.594878
C 4.070889 2.527223 0.077003
C -3.710637 1.289180 -0.397493
H -1.305928 0.494735 -0.809575
H -1.189760 0.487799 0.955943
H 2.902606 1.435658 -2.126695
H 2.979778 1.211184 2.187656
H 1.467876 -3.244589 0.745857
H 1.226612 -3.247418 -1.032699
H -0.085817 -3.805071 0.055344
H -3.519888 -0.083450 1.258852
H -3.650950 -0.855413 -0.311062
H 0.408715 -1.354848 -2.537172
H 0.492963 0.326015 -3.074808
H 1.887760 -0.743354 -3.283894
H 3.673373 3.415641 0.591671
H 4.972096 2.213849 0.625177
H 4.399947 2.855502 -0.918145
H -5.385389 2.355012 -0.313962


%chk=000291555-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291555

0 1
Br 1.101714 -0.959251 2.912207
O -2.014561 -2.472956 -0.117600
O -5.056805 1.559514 0.129876
O -3.321049 1.949267 -1.357415
N 0.182485 -1.709382 -0.029420
C 1.141283 -0.633224 -0.004929
C 1.587178 -0.037236 -1.222071
C -1.669061 -0.040312 -0.015974
C -1.199367 -1.501344 -0.051741
C 1.704522 -0.173995 1.215302
C 2.566689 0.985381 -1.167954
C 3.118678 1.440619 0.051972
C 2.673787 0.842254 1.259607
C 0.714851 -3.089590 -0.045373
C -3.184036 0.051413 0.230724
C 1.009652 -0.468673 -2.557824
C 4.159725 2.544962 0.086786
C -3.801162 1.267477 -0.422250
H -1.435023 0.437986 -0.987500
H -1.105778 0.525469 0.746957
H 2.904451 1.438530 -2.107727
H 3.080867 1.170897 2.221079
H 1.295204 -3.291160 0.872660
H 1.367563 -3.244820 -0.924440
H -0.143809 -3.777304 -0.095822
H -3.436023 0.047471 1.304638
H -3.665860 -0.855620 -0.189368
H 0.729382 -1.534887 -2.563909
H 0.093650 0.105935 -2.797372
H 1.730391 -0.289706 -3.373738
H 3.769444 3.444589 0.598717
H 5.065986 2.226708 0.634071
H 4.464902 2.844061 -0.930001
H -5.451971 2.335025 -0.354171


