%chk=000257461.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257461

0 1
Br 0.997427 -2.685714 -0.299518
Br 0.380154 3.022978 -0.019410
O -2.382840 2.294890 0.438443
O -1.931632 -2.591993 0.116627
O -3.661160 -0.329687 0.492598
O 5.001612 -1.134599 -0.087953
N 4.125756 0.950344 0.462844
N 6.291677 0.714309 -0.539853
C 1.926570 0.330415 -0.588626
C 0.475664 0.149946 -0.252947
C 2.774676 0.385063 0.698258
C -0.084933 -1.135913 -0.140109
C -0.346740 1.263192 -0.017622
C -1.731719 1.117745 0.236528
C -1.457813 -1.301759 0.120161
C -2.297527 -0.176658 0.266681
C 5.116588 0.079287 -0.058017
C -3.787685 2.271176 0.816057
C -2.744524 -2.979764 1.262414
C -4.380512 -0.767767 -0.700182
H 2.080822 1.239923 -1.207579
H 2.301008 -0.491109 -1.243363
H 2.280948 1.019278 1.470132
H 2.878044 -0.644466 1.122913
H 4.123868 1.922446 0.153180
H -4.391651 1.972573 -0.044342
H -3.951073 3.321572 1.087512
H -3.950214 1.598474 1.665293
H -3.562993 -2.272222 1.434204
H -2.091047 -3.059062 2.136490
H -3.111472 -3.963684 0.948328
H -4.293981 -0.013600 -1.485927
H -5.406987 -0.853280 -0.330689
H -3.991438 -1.734880 -1.038163
H 6.564481 1.615496 -0.179681
H 7.078846 0.095151 -0.704388


%chk=000257461-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257461

0 1
Br 0.977055 -2.669529 -0.531107
Br 0.117708 3.152389 -0.412947
O -2.747641 2.232295 0.004524
O -2.060122 -2.618482 -0.069353
O -3.784418 -0.401507 0.296063
O 4.834389 -1.280929 0.386806
N 4.072553 0.934010 0.332364
N 6.353172 0.445352 -0.009169
C 1.857946 0.443593 -0.760453
C 0.382356 0.214282 -0.492092
C 2.672121 0.571513 0.565047
C -0.167067 -1.093486 -0.366451
C -0.520632 1.297693 -0.306005
C -1.903447 1.120176 -0.045660
C -1.539056 -1.315321 -0.100152
C -2.410097 -0.203708 0.045806
C 5.067851 -0.041852 0.243831
C -3.493120 2.437663 1.270145
C -2.475931 -3.088289 1.275793
C -4.544471 -0.866119 -0.894806
H 1.989719 1.368827 -1.348133
H 2.282053 -0.394138 -1.338491
H 2.205580 1.334157 1.215446
H 2.664076 -0.397022 1.092617
H 4.291261 1.911813 0.139089
H -4.128395 1.563987 1.491553
H -4.108699 3.332096 1.093659
H -2.783191 2.625662 2.097497
H -3.248327 -2.419850 1.696039
H -1.597043 -3.138555 1.944724
H -2.883450 -4.097512 1.115994
H -4.496233 -0.102059 -1.691765
H -5.581968 -0.990888 -0.549954
H -4.136830 -1.827846 -1.252647
H 6.585467 1.433841 -0.073736
H 7.097034 -0.244158 -0.073783


