%chk=000284676.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284676

0 1
Br 4.407229 -0.017094 2.182626
O 4.569936 -1.745784 -0.708110
N 3.027466 0.603773 -0.389220
N 4.417970 0.561961 -0.281383
N 6.497120 -0.494303 -0.842166
C -1.967348 0.098648 0.084877
C 0.820435 -0.033713 0.292053
C -3.441958 0.165061 -0.022071
C -1.205597 -0.413016 -0.977370
C -1.324536 0.550631 1.249551
C 0.185662 -0.474563 -0.877965
C 0.064863 0.484198 1.355032
C 2.296446 -0.122422 0.411716
C -4.103323 1.395377 0.118464
C -4.183685 -1.001873 -0.264737
C -5.495418 1.454802 0.015183
C -5.575880 -0.935756 -0.362838
C 2.856349 -1.009396 1.478372
C -6.233358 0.290944 -0.224102
C 5.113527 -0.657173 -0.631605
H -1.701304 -0.753308 -1.886448
H -1.914856 0.950968 2.073405
H 0.780123 -0.859319 -1.708293
H 0.562544 0.844443 2.255409
H -3.529280 2.302896 0.299990
H -3.673234 -1.957948 -0.370132
H 2.165563 -1.223034 2.308623
H 3.228470 -1.973610 1.060144
H -6.006225 2.410661 0.120823
H -6.149655 -1.842510 -0.548040
H -7.317703 0.339873 -0.302692
H 4.792657 1.430832 -0.711290
H 7.041082 -1.351403 -0.862913
H 6.987218 0.286556 -0.431095


%chk=000284676-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284676

0 1
Br 3.937945 1.202842 2.365945
O 5.115349 -1.908358 0.423661
N 2.961798 -0.094595 -0.806515
N 4.337999 -0.144944 -0.975748
N 6.624472 -0.551065 -0.736329
C -2.011806 0.070520 0.073939
C 0.851696 -0.147124 0.276455
C -3.494506 0.175836 -0.029186
C -1.221138 -0.339740 -1.037442
C -1.332731 0.373820 1.285479
C 0.175952 -0.448204 -0.939251
C 0.067270 0.265727 1.388554
C 2.338744 -0.254990 0.358789
C -4.213776 1.150981 0.717386
C -4.233386 -0.694273 -0.879131
C -5.617443 1.252585 0.618439
C -5.637076 -0.593126 -0.979884
C 2.965161 -0.489683 1.703841
C -6.337807 0.381079 -0.231359
C 5.343059 -0.930639 -0.345900
H -1.707897 -0.555527 -1.995076
H -1.908765 0.674055 2.167622
H 0.772693 -0.760431 -1.801125
H 0.545991 0.535817 2.336150
H -3.667286 1.855415 1.354740
H -3.708841 -1.475866 -1.440395
H 2.226942 -0.699114 2.486280
H 3.759077 -1.251181 1.676921
H -6.148195 2.017791 1.196019
H -6.185128 -1.280409 -1.634194
H -7.427807 0.459811 -0.308862
H 4.593962 0.264654 -1.876735
H 7.393157 -1.134279 -0.412122
H 6.833622 0.378016 -1.097166


