%chk=000268856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268856

0 1
Br -1.818823 -3.176349 0.904933
O 2.766870 -0.042101 1.548996
O 2.636200 2.925917 0.069858
O 3.707575 0.431616 -1.822491
O 4.588414 -1.944267 -0.941780
N 0.544845 0.160455 0.805567
N -0.721213 1.916294 -0.425760
N -3.898389 -0.948780 -0.521480
N -2.967076 1.212921 -1.074776
C 1.805248 0.901440 1.066066
C 2.377300 1.558729 -0.227077
C 3.739338 0.863079 -0.465274
C 3.782113 -0.315618 0.542839
C 3.455329 -1.677720 -0.084885
C -0.586085 0.678648 0.164438
C 0.264990 -1.178049 1.183141
C -1.608724 -0.336957 0.169722
C -1.023167 -1.489904 0.786034
C -2.844662 -0.002632 -0.453182
C -1.914281 2.096784 -1.043033
C -4.478442 -1.330814 0.799101
C -4.958730 -0.652250 -1.527925
H 1.656792 1.626361 1.906001
H 1.719381 1.464413 -1.122283
H 4.587965 1.571402 -0.335519
H 4.725889 -0.353080 1.129164
H 2.531687 -1.645178 -0.692903
H 3.382416 -2.468344 0.682272
H 0.999032 -1.774623 1.702402
H 1.857521 3.473739 -0.201857
H 4.392560 -0.279201 -1.976681
H 4.443080 -2.779254 -1.433616
H -2.076550 3.058199 -1.558740
H -5.374061 -0.741344 1.055939
H -3.756375 -1.206250 1.622845
H -4.760809 -2.397496 0.753039
H -5.623009 -1.526370 -1.610210
H -4.489888 -0.486642 -2.514718
H -5.558861 0.242929 -1.296467


%chk=000268856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268856

0 1
Br -2.278238 -3.485758 0.545928
O 2.577333 -0.780427 0.937725
O 1.914749 2.367164 -0.763489
O 4.154976 0.067491 -1.896009
O 6.093815 -0.903452 -0.181853
N 0.315288 -0.294202 0.434228
N -0.746312 1.681275 -0.523999
N -4.449094 -0.345027 -0.253554
N -3.115176 1.427075 -0.990436
C 1.655431 0.293074 0.583657
C 2.214459 0.954291 -0.719387
C 3.735844 0.693064 -0.643310
C 3.927163 -0.242212 0.600176
C 4.825257 -1.453894 0.349856
C -0.793866 0.408306 -0.018020
C -0.069348 -1.607761 0.723522
C -1.951586 -0.452703 0.033207
C -1.435586 -1.735699 0.477880
C -3.181085 0.181956 -0.394526
C -1.936795 2.094823 -1.040067
C -4.820663 -1.278184 0.822650
C -5.587652 0.292193 -0.943661
H 1.628368 1.068055 1.382121
H 1.822282 0.402117 -1.598276
H 4.266379 1.650547 -0.483450
H 4.297911 0.348357 1.462288
H 4.344056 -2.117107 -0.393164
H 4.999154 -2.003527 1.293950
H 0.660393 -2.342651 1.047406
H 0.896783 2.415543 -0.750682
H 5.120925 -0.159572 -1.788376
H 6.785791 -1.608642 -0.201324
H -1.948559 3.072966 -1.528810
H -5.669546 -0.847804 1.389813
H -3.982654 -1.424282 1.518314
H -5.126138 -2.263754 0.427916
H -6.336861 -0.485874 -1.176100
H -5.241444 0.773116 -1.868233
H -6.060356 1.070821 -0.312208


