%chk=000220847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220847

0 1
Br 7.117795 0.415843 -0.002809
O -4.230489 -0.704058 -0.000174
O 0.275725 1.654654 -0.001131
N 1.066479 -0.509772 -0.000283
N -1.772156 -2.608892 0.020102
C 2.473474 -0.235111 -0.000838
C 3.340630 -1.350293 -0.000901
C 2.995653 1.069772 -0.001329
C -3.775802 0.634588 -0.008396
C 0.048600 0.457118 -0.000016
C -1.368401 -0.058740 0.001002
C -2.359039 0.865559 -0.007496
C 4.720407 -1.152413 -0.001480
C 4.378650 1.258983 -0.001901
C 5.228133 0.150386 -0.001988
C -4.863320 1.490387 -0.016002
C -6.041042 0.673996 -0.012475
C -5.615125 -0.634485 -0.002986
C -1.599929 -1.464608 0.011481
H 0.818708 -1.504318 0.000062
H 2.946399 -2.365238 -0.000460
H 2.327407 1.939632 -0.001254
H -2.075300 1.940381 -0.014636
H 5.392454 -2.013127 -0.001521
H 4.783790 2.273574 -0.002274
H -4.848738 2.565921 -0.023192
H -7.052594 1.036407 -0.016591
H -6.085370 -1.596445 0.002684


%chk=000220847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220847

0 1
Br 7.224216 0.314919 0.000471
O -4.304954 -0.742900 -0.002800
O 0.222822 1.783687 -0.008698
N 1.066014 -0.414158 -0.000615
N -1.515112 -2.685152 0.007296
C 2.468231 -0.186692 -0.000604
C 3.312555 -1.330299 0.004064
C 3.046457 1.111686 -0.004982
C -3.811876 0.588415 -0.006990
C 0.041487 0.526385 -0.004528
C -1.354454 -0.061587 -0.003348
C -2.406738 0.836629 -0.007000
C 4.713893 -1.189252 0.004388
C 4.450398 1.251717 -0.004646
C 5.271794 0.106576 0.000017
C -4.904012 1.469505 -0.010660
C -6.100975 0.677083 -0.008737
C -5.698245 -0.654792 -0.003982
C -1.499959 -1.485866 0.001431
H 0.776862 -1.398442 0.002579
H 2.877071 -2.337063 0.007489
H 2.398222 1.989363 -0.008578
H -2.103895 1.892939 -0.010360
H 5.356077 -2.074134 0.007992
H 4.893861 2.251348 -0.008026
H -4.836334 2.555997 -0.014271
H -7.127390 1.036852 -0.010592
H -6.229018 -1.603062 -0.001111


