%chk=000284983.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284983

0 1
Br 3.128048 1.944997 2.124649
O -1.947520 -0.218159 0.972996
O -1.507804 1.583234 -0.325220
O 4.220188 -0.689636 0.865416
O 0.938375 -3.025799 -1.940800
O -1.011887 -2.312801 -1.341516
O -4.009362 -0.195816 0.018814
O -1.920701 1.493618 -2.546653
N 0.205654 -2.266646 -1.332487
C 0.166692 -0.098634 -0.002854
C -1.304300 0.147654 -0.257817
C 0.862453 -1.209768 -0.509111
C 0.859940 0.838679 0.783206
C 2.230296 -1.378423 -0.256388
C 2.904925 -0.432917 0.525371
C 2.219209 0.680249 1.047663
C -3.336722 -0.391876 0.994562
C -1.925097 2.144079 -1.535507
C 5.203329 -0.022764 0.026057
C -3.711860 -0.825304 2.364109
C -2.283553 3.562941 -1.292466
H -1.769919 -0.359249 -1.137931
H 0.303071 1.697995 1.184274
H 2.774883 -2.245097 -0.654231
H -4.132885 -1.845054 2.346497
H -4.482111 -0.161582 2.789115
H -2.853091 -0.834050 3.056828
H -3.375975 3.701796 -1.378488
H -1.989945 3.909811 -0.288025
H -1.812673 4.224298 -2.037341
H 5.077634 1.062542 0.067192
H 5.134458 -0.403932 -0.996332
H 6.142647 -0.329486 0.505116


%chk=000284983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284983

0 1
Br 3.578978 2.483445 1.183372
O -1.942328 -0.298898 0.882400
O -1.506144 1.817194 -0.060564
O 4.395794 -0.577339 0.861448
O 0.604813 -3.548419 -0.252754
O -1.091616 -2.229734 -0.998447
O -3.912664 -0.016511 -0.344222
O -1.879220 1.982870 -2.370723
N 0.069605 -2.392106 -0.457270
C 0.260921 0.105015 0.030281
C -1.216214 0.383428 -0.197518
C 0.849575 -1.188015 -0.067192
C 1.107453 1.171371 0.404315
C 2.220123 -1.399359 0.188189
C 3.057415 -0.322731 0.541144
C 2.479948 0.970939 0.647637
C -3.332710 -0.488137 0.651299
C -1.964263 2.485328 -1.237081
C 5.369590 -0.371523 -0.237415
C -3.927119 -1.319299 1.759741
C -2.533354 3.831098 -0.867837
H -1.580022 0.040792 -1.181531
H 0.669213 2.165539 0.513253
H 2.633511 -2.409198 0.126548
H -3.601806 -2.368704 1.641479
H -5.024565 -1.275157 1.711492
H -3.569464 -0.969873 2.742014
H -3.555833 3.687765 -0.472964
H -1.935711 4.310419 -0.075872
H -2.583836 4.474007 -1.758565
H 5.361041 0.678865 -0.581714
H 5.146196 -1.051287 -1.081430
H 6.349090 -0.616885 0.197184


