%chk=000093667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000093667

0 1
Br 1.797536 1.447260 1.088364
O -2.713714 -2.437145 -1.900115
O -5.029905 2.156252 1.225961
O -6.143784 0.190537 1.347917
O -1.223088 3.230478 -0.050694
O 3.629514 -3.195503 -0.723862
O 5.630807 -2.874894 -1.476991
O 8.243321 0.773867 0.363806
O 7.237255 2.497210 1.201795
N -4.271217 -0.367672 -1.061938
N -0.353246 1.557060 1.326258
N 1.232239 -0.585541 0.413586
N 2.156505 -0.812895 -0.419468
N 4.623665 -2.515408 -0.889357
N 7.243282 1.387500 0.693923
C -2.920331 -0.455297 -0.614923
C -5.125674 -1.595205 -0.959804
C -5.009098 0.870643 -0.743056
C -2.069102 -1.502524 -1.126191
C -2.325885 0.519107 0.193427
C -0.948859 0.499983 0.482832
C -0.142498 -0.532849 -0.028519
C -0.711236 -1.534913 -0.836252
C -5.999516 -1.680277 -2.182726
C -5.484940 0.965150 0.700861
C -0.757677 2.946933 1.019270
C -1.912772 -3.483042 -2.511469
C 3.464793 -0.464331 0.015010
C -7.261068 -2.100784 -2.141477
C 4.641872 -1.153009 -0.320989
C 3.548676 0.822519 0.644400
C -0.453230 3.900240 2.129204
C 5.888622 -0.528512 -0.107153
C 5.937697 0.740535 0.465793
C 4.755486 1.433250 0.853272
C -5.442402 2.480098 2.580870
H -4.486156 -2.512697 -0.915027
H -5.725864 -1.593820 -0.016680
H -4.391383 1.763400 -1.018505
H -5.914212 0.912808 -1.404893
H -2.926402 1.341660 0.594750
H -0.059549 -2.316310 -1.234785
H -0.499351 1.302335 2.328585
H -5.506569 -1.390961 -3.114566
H -2.675905 -4.036360 -3.075524
H -1.454812 -4.112409 -1.742943
H -1.167831 -3.048356 -3.185466
H -7.881350 -2.193300 -3.021936
H -7.774881 -2.388429 -1.234811
H 0.527085 3.736199 2.603439
H -1.214569 3.868077 2.922100
H -0.442645 4.938013 1.747031
H 6.817795 -1.051602 -0.394558
H 4.841077 2.424123 1.315979
H -5.100183 3.513176 2.698393
H -4.952377 1.795688 3.279075
H -6.531844 2.402144 2.668274


%chk=000093667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093667

0 1
Br 2.927063 2.757172 -0.523013
O -2.350676 -2.150630 -2.156607
O -5.828700 2.083950 1.062862
O -5.773582 -0.204260 1.558211
O -2.753109 2.873413 2.158235
O 2.629109 -2.669048 1.119579
O 4.579946 -3.566881 0.342309
O 8.451306 -0.615515 0.202693
O 8.146928 1.614390 -0.207234
N -4.299450 -0.483407 -0.978323
N -0.738937 1.944373 1.395015
N 1.117822 0.356420 0.351640
N 2.060301 -0.435597 -0.110300
N 3.807903 -2.560557 0.603420
N 7.700260 0.418591 0.008103
C -2.952040 -0.318765 -0.677955
C -4.959144 -1.803407 -1.229317
C -5.234994 0.621544 -0.724169
C -1.915639 -1.178729 -1.244080
C -2.541954 0.755878 0.167988
C -1.193786 0.947699 0.510755
C -0.184663 0.077547 -0.041513
C -0.576796 -0.971552 -0.925335
C -5.593886 -1.875856 -2.603531
C -5.638583 0.747647 0.758572
C -1.484851 2.828044 2.174455
C -1.326467 -2.998918 -2.782402
C 3.400806 -0.122484 0.068544
C -6.912768 -2.109963 -2.818588
C 4.323825 -1.208768 0.296130
C 4.009259 1.164692 -0.158001
C -0.655042 3.732449 3.077619
C 5.716691 -1.059148 0.263338
C 6.239652 0.224230 0.030585
C 5.395975 1.341506 -0.179233
C -6.072134 2.445741 2.486649
H -4.204265 -2.594309 -1.121769
H -5.717803 -1.943643 -0.435682
H -4.813894 1.582092 -1.060355
H -6.147091 0.429103 -1.318984
H -3.270066 1.426975 0.622456
H 0.220375 -1.594848 -1.337424
H 0.287137 1.936789 1.491773
H -4.904404 -1.736037 -3.447335
H -1.883689 -3.671968 -3.449553
H -0.779127 -3.587205 -2.022491
H -0.615038 -2.387717 -3.369108
H -7.326326 -2.181765 -3.830599
H -7.614047 -2.256194 -1.986736
H 0.418608 3.740002 2.824325
H -0.766727 3.400714 4.125774
H -1.048866 4.760034 3.014810
H 6.374505 -1.915750 0.427059
H 5.848631 2.320623 -0.354573
H -6.782981 3.284164 2.464017
H -5.100558 2.757167 2.901698
H -6.481915 1.582171 3.035094


