%chk=000104655.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104655

0 1
Br 0.390632 -1.576175 -0.752914
O -4.331452 2.432021 1.677471
O -2.765082 -1.614444 -2.729906
O 4.030986 2.589100 2.307106
O 2.084614 1.871773 2.916190
O 6.766300 -0.232899 -0.530238
O 5.823152 -1.683852 -1.829754
N -5.806285 0.653084 0.374702
N -1.736362 -2.000692 -0.669392
N -0.235084 -0.250623 0.909052
N 0.640037 0.659761 0.819025
N 3.065662 1.849934 2.198494
N 5.791923 -0.821281 -0.966696
C -2.394488 -0.829205 -0.051871
C -4.410662 0.470610 0.388621
C -1.627039 0.075500 0.705482
C -3.599364 1.386009 1.156670
C -3.776096 -0.621425 -0.212723
C -2.238130 1.196884 1.307447
C 1.972251 0.212544 0.619875
C 3.123790 0.843592 1.120838
C 2.103038 -0.820797 -0.368697
C 4.382788 0.506976 0.581254
C 4.473646 -0.468140 -0.409830
C 3.321680 -1.149842 -0.896439
C -6.574240 0.118552 -0.774548
C -2.177758 -2.389054 -2.022847
C -3.607169 3.464924 2.393441
C -1.756498 -3.772692 -2.399550
H -4.355235 -1.305040 -0.833606
H -1.615954 1.892902 1.874250
H -6.111643 1.591349 0.658101
H -1.771078 -2.792915 0.012741
H 5.289188 1.018819 0.950108
H 3.440584 -1.922668 -1.665704
H -7.625493 0.441994 -0.690332
H -6.187820 0.441664 -1.756488
H -6.570662 -0.985680 -0.748729
H -2.880180 3.948256 1.733500
H -3.133950 3.044692 3.286514
H -4.417586 4.154331 2.664397
H -0.733937 -4.032625 -2.083611
H -1.781249 -3.892962 -3.498481
H -2.432674 -4.536657 -1.987622


%chk=000104655-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104655

0 1
Br 1.447211 -0.889673 -2.515523
O -3.899397 2.831596 1.194365
O -4.211732 -3.109418 -1.657127
O 3.109107 1.456693 3.418253
O 1.162725 0.326707 3.031430
O 6.974948 0.110911 0.778834
O 6.666745 -0.622121 -1.366348
N -5.703540 1.178329 0.213584
N -2.210799 -2.094342 -0.973289
N -0.363967 -0.465736 0.000896
N 0.584391 0.311224 0.479899
N 2.337324 0.728621 2.675028
N 6.221634 -0.222688 -0.217898
C -2.676585 -0.878518 -0.445335
C -4.402023 0.753549 0.140261
C -1.662219 0.014285 0.074918
C -3.376798 1.642021 0.667156
C -4.032440 -0.501300 -0.413039
C -2.040083 1.280269 0.629295
C 1.922069 0.002219 0.287234
C 2.848683 0.333025 1.345087
C 2.529853 -0.430392 -0.947141
C 4.241198 0.285060 1.196607
C 4.762228 -0.141665 -0.036785
C 3.915853 -0.502124 -1.113137
C -6.850520 0.398497 -0.254715
C -2.950434 -3.139047 -1.534349
C -2.945570 3.783057 1.779679
C -2.117776 -4.338036 -1.972400
H -4.776553 -1.187893 -0.817119
H -1.241738 1.909416 1.031150
H -5.850872 2.098132 0.634899
H -1.185347 -2.179868 -0.908338
H 4.901051 0.559622 2.022721
H 4.366640 -0.829200 -2.053407
H -7.774153 0.968954 -0.070526
H -6.780176 0.188027 -1.338791
H -6.925102 -0.568959 0.277158
H -2.226603 4.133449 1.015758
H -2.401499 3.320934 2.624119
H -3.555146 4.624563 2.138014
H -1.040094 -4.116371 -2.055878
H -2.491812 -4.696863 -2.944864
H -2.251580 -5.159340 -1.245033


