%chk=000270661.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270661

0 1
Br 8.781933 -0.854762 0.490128
O -6.236126 -0.465555 1.804990
O -7.646916 -0.309022 -0.097588
N -1.312690 0.108976 0.061367
C 3.365847 -1.645424 0.627612
C 2.282082 -0.649927 0.281577
C 2.863373 0.599549 -0.105947
C 4.634839 -0.857946 0.401765
C 4.322912 0.471032 -0.031637
C 0.912244 -0.822668 0.306698
C 2.057428 1.670419 -0.463692
C 5.948298 -1.264230 0.560879
C 5.334621 1.380825 -0.300637
C 0.099699 0.276019 -0.068669
C 0.663903 1.504333 -0.450521
C 6.953984 -0.322745 0.280636
C 6.672395 0.973458 -0.140801
C -3.587909 0.155665 -0.720946
C -5.474270 -0.225670 0.667342
C -6.325533 -0.132232 -0.475253
C -2.129341 0.322407 -0.920361
C -4.109503 -0.087841 0.579151
C -4.426861 0.246414 -1.838117
C -5.828107 0.102318 -1.738461
C -7.628223 -0.525672 1.354530
H 3.280067 -1.998305 1.674298
H 3.318493 -2.547321 -0.012948
H 0.453760 -1.761039 0.612072
H 2.491580 2.625856 -0.752409
H 6.195642 -2.272112 0.890314
H 5.108019 2.392961 -0.628969
H 0.021486 2.340499 -0.717792
H 7.476318 1.680486 -0.349289
H -1.834162 0.619835 -1.942711
H -3.450677 -0.161324 1.446579
H -4.002311 0.432062 -2.825537
H -6.471657 0.173129 -2.610619
H -8.172523 0.304123 1.824257
H -8.003210 -1.539471 1.547107


%chk=000270661-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270661

0 1
Br 8.934398 -0.742226 0.575675
O -6.316520 -0.946837 1.655330
O -7.746270 -0.164622 -0.109858
N -1.313762 -0.038331 0.064860
C 3.438720 -1.573147 0.927770
C 2.327806 -0.660548 0.418640
C 2.894020 0.498196 -0.200655
C 4.703535 -0.815425 0.539704
C 4.360531 0.403349 -0.124060
C 0.940171 -0.821760 0.503408
C 2.051408 1.500145 -0.733217
C 6.046731 -1.168860 0.753853
C 5.375097 1.275825 -0.577434
C 0.082781 0.166970 -0.062983
C 0.654375 1.331843 -0.665496
C 7.043275 -0.279374 0.290797
C 6.730494 0.930887 -0.368077
C -3.614494 0.253627 -0.678698
C -5.543151 -0.416085 0.592045
C -6.391967 0.042946 -0.445891
C -2.161440 0.385758 -0.843539
C -4.159707 -0.327642 0.512654
C -4.474089 0.710841 -1.716597
C -5.885514 0.613122 -1.616966
C -7.733860 -0.800727 1.239462
H 3.373283 -1.733673 2.021576
H 3.398680 -2.575218 0.457835
H 0.481038 -1.690153 0.986645
H 2.471792 2.406047 -1.184328
H 6.320306 -2.098708 1.261250
H 5.130685 2.213798 -1.087444
H -0.007061 2.119932 -1.043396
H 7.531431 1.591904 -0.710904
H -1.825532 0.842292 -1.798870
H -3.488195 -0.674437 1.301195
H -4.032875 1.150338 -2.618663
H -6.547829 0.963324 -2.411977
H -8.254212 -0.136124 1.949946
H -8.195176 -1.800146 1.164804


