%chk=000247774.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247774

0 1
Br 2.846933 2.796355 -0.000356
C 1.102653 0.509714 -0.000097
C -1.325509 0.643229 -0.000048
C -0.150785 -0.120233 -0.000008
C 2.336319 -0.310358 -0.000050
C -2.645662 -0.030114 0.000048
C 1.154683 1.910752 -0.000228
C -1.253426 2.044865 -0.000178
C -0.010308 2.681422 -0.000269
C 2.916332 -0.701298 -1.215806
C 2.916694 -0.700614 1.215756
C -3.269878 -0.347954 1.215262
C -3.269832 -0.348435 -1.215049
C 4.074419 -1.483362 -1.211311
C 4.074775 -1.482682 1.211357
C -4.515129 -0.982291 1.211394
C -4.515093 -0.982775 -1.210972
C 4.653561 -1.875384 0.000047
C -5.138594 -1.300045 0.000259
H -0.207052 -1.209768 0.000094
H -2.169088 2.635946 -0.000213
H 0.044163 3.771432 -0.000374
H 2.468256 -0.388705 -2.157565
H 2.468895 -0.387490 2.157472
H -2.783216 -0.100469 2.157375
H -2.783150 -0.101332 -2.157252
H 4.527371 -1.785631 -2.154060
H 4.528009 -1.784423 2.154140
H -5.000198 -1.229554 2.154454
H -5.000118 -1.230405 -2.153958
H 5.556026 -2.483558 0.000086
H -6.108353 -1.794237 0.000348


%chk=000247774-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247774

0 1
Br 2.881787 2.938980 -0.000118
C 1.140735 0.562273 -0.000012
C -1.342100 0.675952 0.000049
C -0.134611 -0.064580 0.000020
C 2.378679 -0.286536 -0.000042
C -2.670794 -0.024259 0.000071
C 1.166606 1.979832 -0.000020
C -1.268910 2.091893 0.000049
C -0.017895 2.745791 0.000011
C 2.961281 -0.707460 -1.222622
C 2.962141 -0.706320 1.222521
C -3.310134 -0.359193 1.222155
C -3.309743 -0.359991 -1.221999
C 4.110058 -1.530201 -1.222537
C 4.110916 -1.529061 1.222393
C -4.562500 -1.014817 1.222345
C -4.562109 -1.015614 -1.222165
C 4.688278 -1.943432 -0.000083
C -5.192522 -1.344488 0.000096
H -0.173446 -1.159510 0.000030
H -2.189702 2.684973 0.000066
H 0.035542 3.838329 -0.000006
H 2.515969 -0.384753 -2.170572
H 2.517495 -0.382734 2.170483
H -2.823158 -0.104747 2.170498
H -2.822468 -0.106155 -2.170352
H 4.552233 -1.846801 -2.173865
H 4.553757 -1.844781 2.173704
H -5.044243 -1.267422 2.173664
H -5.043549 -1.268832 -2.173474
H 5.579470 -2.581091 -0.000099
H -6.163365 -1.852649 0.000108


