%chk=000290073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290073

0 1
Br -4.746079 2.794946 1.359413
O 5.894095 -0.261861 0.201969
O 4.034080 -2.432550 0.131452
O -6.140836 0.057564 0.946069
O -3.037357 -3.337023 -0.938676
O -1.182256 -2.955847 0.094989
N -0.126237 1.757605 -1.087921
N -2.299802 -2.630617 -0.266554
C 2.051263 2.832969 -0.545491
C 0.918291 2.712473 -1.574571
C 2.648737 1.476397 -0.314917
C 1.781353 0.370572 -0.292658
C 0.312743 0.580958 -0.418886
C 4.029571 1.306218 -0.143922
C 2.310721 -0.920946 -0.141858
C -1.242367 1.610259 -2.063516
C -0.543848 -0.282078 0.192252
C 4.554719 0.024664 0.025675
C 3.688308 -1.105791 0.014439
C -1.984732 -0.190160 0.321051
C -2.827510 -1.307027 0.129270
C -2.591827 1.038143 0.694377
C -4.222846 -1.213040 0.289090
C -3.962085 1.136529 0.858255
C -4.785134 0.004391 0.660676
C 6.816301 0.853890 0.269054
C 5.425349 -2.756858 0.374540
C -6.969268 0.450526 -0.181290
H 1.660847 3.235442 0.415845
H 2.803101 3.564976 -0.897060
H 0.420099 3.698298 -1.712954
H 1.334149 2.406274 -2.561058
H 4.679275 2.176606 -0.148753
H 1.660862 -1.803082 -0.144750
H -0.120176 -1.165016 0.701183
H -2.048388 2.310081 -1.777102
H -1.665585 0.591900 -2.069352
H -0.937351 1.835276 -3.097992
H -1.940077 1.904724 0.859677
H -4.862829 -2.088379 0.130712
H 6.571639 1.501071 1.116174
H 6.820762 1.400756 -0.678006
H 7.772568 0.339400 0.430551
H 5.388541 -3.850508 0.444652
H 5.761443 -2.303053 1.312097
H 6.040955 -2.426379 -0.468705
H -6.697524 1.451966 -0.525487
H -7.970472 0.446358 0.267590
H -6.888487 -0.290615 -0.980372


%chk=000290073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290073

0 1
Br -4.368139 3.174930 1.139699
O 5.987472 -0.309880 0.213557
O 4.187455 -2.459383 -0.198259
O -6.074379 0.651052 0.859650
O -3.626001 -3.356981 -0.803137
O -1.394049 -2.897855 -0.741475
N 0.095649 1.884827 -1.422531
N -2.635302 -2.535903 -0.596302
C 2.157751 2.913466 -0.478329
C 1.129341 2.929153 -1.620006
C 2.745645 1.520547 -0.367104
C 1.860751 0.419971 -0.532703
C 0.409282 0.676568 -0.781674
C 4.114027 1.301432 -0.100571
C 2.389438 -0.894206 -0.426989
C -1.068810 2.007363 -2.318621
C -0.539075 -0.282150 -0.405304
C 4.635355 -0.009051 -0.004732
C 3.752020 -1.124375 -0.169966
C -1.963454 -0.108818 -0.170094
C -2.947201 -1.160309 -0.192082
C -2.467183 1.177710 0.235055
C -4.308914 -0.934685 0.141593
C -3.801697 1.396565 0.567065
C -4.761543 0.337930 0.519806
C 6.926097 0.811293 0.315249
C 4.928884 -2.961318 0.978059
C -7.059043 -0.437664 0.818135
H 1.653242 3.200996 0.466602
H 2.940439 3.667529 -0.675569
H 0.615679 3.908037 -1.665224
H 1.644046 2.773591 -2.594640
H 4.772624 2.167668 0.019560
H 1.764711 -1.779331 -0.575811
H -0.156195 -1.272920 -0.168097
H -1.884547 2.617088 -1.884492
H -1.473717 1.009387 -2.548937
H -0.744163 2.483355 -3.263533
H -1.752054 1.997493 0.337650
H -4.983081 -1.791147 0.073996
H 6.687056 1.459289 1.180625
H 6.929788 1.413308 -0.613644
H 7.912239 0.346705 0.460150
H 5.126529 -4.020514 0.754683
H 4.303983 -2.880769 1.888563
H 5.874227 -2.411016 1.114967
H -7.150122 -0.853246 -0.203450
H -8.007488 0.028353 1.120472
H -6.790875 -1.243680 1.527341


