%chk=000242117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242117

0 1
Br -6.400050 -1.371204 1.182544
O 5.215729 -1.197659 1.000371
O 0.072829 1.151517 0.719941
N 3.256869 0.415375 -0.289676
N 1.204862 1.184799 -1.308678
N -0.962045 0.202224 -1.137019
C 3.084090 -0.003778 1.138504
C 4.708751 0.571019 -0.619349
C 3.820620 -1.334640 1.346477
C 5.405662 -0.777561 -0.364208
C 2.452850 1.631138 -0.617771
C 0.108532 0.846436 -0.460580
C -2.221009 -0.129493 -0.549462
C -3.189923 -0.711936 -1.397008
C -2.506460 0.084120 0.811706
C -4.430647 -1.079790 -0.877506
C -3.749939 -0.286316 1.322130
C -4.700482 -0.865155 0.476498
H 1.994963 -0.123657 1.344644
H 3.465224 0.754776 1.856487
H 5.202902 1.365974 -0.019477
H 4.806762 0.848330 -1.689846
H 3.868556 -1.624127 2.411068
H 3.379593 -2.149163 0.745936
H 5.029091 -1.565617 -1.039949
H 6.504473 -0.698388 -0.438513
H 2.987925 2.298397 -1.334901
H 2.170600 2.242227 0.276515
H 1.398713 0.555967 -2.095085
H -0.891040 0.055361 -2.146181
H -2.982149 -0.879432 -2.451218
H -1.759581 0.543223 1.471394
H -5.179884 -1.530965 -1.530910
H -3.970887 -0.120005 2.378924


%chk=000242117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242117

0 1
Br -6.993329 -0.674959 0.919548
O 5.725439 -1.033792 0.898967
O -0.149618 1.399458 0.764411
N 3.472550 0.286972 -0.354612
N 1.164236 0.609817 -1.005385
N -1.083382 -0.030237 -0.871397
C 3.294755 -0.526006 0.879013
C 4.830596 0.888485 -0.396324
C 4.373163 -1.618553 0.935560
C 5.886150 -0.227796 -0.322245
C 2.391348 1.273500 -0.563281
C -0.033504 0.708337 -0.292120
C -2.422556 -0.142221 -0.411860
C -3.308568 -0.953393 -1.172757
C -2.907128 0.511345 0.753617
C -4.654325 -1.114377 -0.786456
C -4.254999 0.349669 1.139782
C -5.117192 -0.457854 0.371992
H 2.291051 -0.988858 0.863371
H 3.364236 0.110818 1.794243
H 4.996503 1.600243 0.449536
H 4.951451 1.447707 -1.344221
H 4.321335 -2.180712 1.882239
H 4.244914 -2.315278 0.078793
H 5.797598 -0.881248 -1.217345
H 6.904466 0.190895 -0.266682
H 2.741696 1.986940 -1.334717
H 2.119346 1.847874 0.349424
H 1.257295 -0.015221 -1.808445
H -0.879318 -0.534571 -1.736795
H -2.950264 -1.465539 -2.074985
H -2.229538 1.135427 1.338444
H -5.325714 -1.740841 -1.380319
H -4.623194 0.855967 2.036807


