%chk=000267146.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267146

0 1
Br -0.560826 -0.282261 -2.423208
O 1.038052 0.093318 2.680219
N -1.028100 0.085926 1.625443
C 0.873105 0.008698 0.166367
C -0.455205 -0.067351 -0.572091
C 0.397835 0.063883 1.660708
C -1.510264 -0.017184 0.284540
C 1.685733 -1.238411 -0.135981
C 1.664671 1.283755 -0.071608
C -2.947220 -0.067040 -0.020026
C -1.886347 0.121974 2.819875
C 2.440375 -1.284635 -1.320144
C 2.952863 1.384272 0.483149
C 1.668249 -2.349826 0.716965
C 1.138613 2.359992 -0.796175
C -3.484277 -1.214174 -0.624927
C -3.771804 1.030568 0.270512
C 3.166386 -2.432264 -1.643999
C 3.709207 2.541665 0.295828
C 2.400361 -3.495635 0.388595
C 1.902654 3.517477 -0.983056
C 3.148180 -3.540911 -0.790694
C 3.186953 3.610403 -0.441875
C -4.847869 -1.263626 -0.925351
C -5.133669 0.973218 -0.036128
C -5.672527 -0.172940 -0.630412
H -2.420022 1.085060 2.892942
H -1.258935 0.007524 3.726079
H -2.628448 -0.694263 2.801751
H 2.460490 -0.421433 -1.987537
H 3.355839 0.556729 1.070949
H 1.096812 -2.334530 1.644491
H 0.135487 2.310637 -1.219601
H -2.835170 -2.057506 -0.865647
H -3.348350 1.927012 0.722331
H 3.747815 -2.462999 -2.563972
H 4.706122 2.613053 0.727821
H 2.385620 -4.354155 1.058058
H 1.490150 4.348264 -1.552942
H 3.715154 -4.434108 -1.044585
H 3.778888 4.511461 -0.589405
H -5.267127 -2.152862 -1.394661
H -5.775624 1.824875 0.184860
H -6.734831 -0.214250 -0.867759


%chk=000267146-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267146

0 1
Br -0.559253 -0.287376 -2.544731
O 1.095943 0.082494 2.650204
N -1.007399 0.111114 1.578754
C 0.894669 -0.026391 0.121520
C -0.436821 -0.120917 -0.622742
C 0.391457 0.064085 1.608816
C -1.503660 -0.029867 0.231826
C 1.745201 -1.295360 -0.108967
C 1.669336 1.288818 -0.139836
C -2.958102 -0.057869 -0.049753
C -1.815808 0.127012 2.803409
C 2.582567 -1.376327 -1.251383
C 2.994497 1.416576 0.351213
C 1.647983 -2.420629 0.746663
C 1.060161 2.401240 -0.769606
C -3.524413 -1.139961 -0.774445
C -3.805164 0.998636 0.383208
C 3.304166 -2.555837 -1.532516
C 3.701222 2.627197 0.195092
C 2.372092 -3.601141 0.466486
C 1.770627 3.612530 -0.929396
C 3.201165 -3.675520 -0.675197
C 3.094291 3.730257 -0.450229
C -4.906686 -1.164924 -1.058947
C -5.186790 0.971579 0.097545
C -5.742963 -0.111122 -0.623078
H -2.296945 1.107615 2.965935
H -1.132609 -0.071838 3.645513
H -2.597469 -0.650271 2.763876
H 2.672715 -0.512585 -1.918383
H 3.462206 0.571447 0.866247
H 1.027257 -2.376029 1.647399
H 0.034043 2.323241 -1.143423
H -2.878618 -1.958084 -1.109435
H -3.377829 1.853657 0.919264
H 3.946255 -2.599836 -2.419396
H 4.723130 2.711569 0.581374
H 2.292449 -4.458967 1.143740
H 1.289071 4.461532 -1.427722
H 3.763468 -4.590925 -0.891254
H 3.645236 4.669444 -0.573979
H -5.329975 -2.006519 -1.617914
H -5.826152 1.796964 0.429158
H -6.815547 -0.131312 -0.845210


