%chk=000281033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281033

0 1
Br 6.514911 -1.885074 0.132406
O 1.575243 4.122309 -1.261019
N 0.154119 1.803985 -0.397854
N 0.760823 -0.066913 1.176063
N -0.876499 0.401684 2.567972
N 0.284849 -0.032106 2.472444
C -0.285445 0.521787 0.198928
C -1.467494 0.799671 1.239719
C -0.726163 -0.481616 -0.854716
C 0.557311 2.864960 0.586275
C 1.212517 1.713789 -1.456862
C -2.756358 0.071882 0.958465
C 0.638679 4.203031 -0.169210
C 1.249393 3.066798 -2.187813
C 2.098934 -0.493967 0.920211
C -1.384145 -0.023844 -2.009274
C -0.573683 -1.862010 -0.655642
C -3.724113 0.713603 0.167249
C -3.014943 -1.205972 1.473044
C 2.476322 -0.953742 -0.355962
C 3.049123 -0.464692 1.966608
C -1.840152 -0.931322 -2.967841
C -1.032105 -2.766976 -1.617554
C -1.660540 -2.305030 -2.777172
C -4.936413 0.077186 -0.106837
C -4.232907 -1.835597 1.197760
C -5.193782 -1.197950 0.408299
C 3.790777 -1.365129 -0.586000
C 4.356482 -0.882313 1.730776
C 4.719901 -1.324506 0.454353
H -1.680667 1.904517 1.297097
H 1.533074 2.639472 1.071727
H -0.200266 2.943582 1.396690
H 0.978306 0.899973 -2.173350
H 2.219358 1.500728 -1.029787
H -0.345629 4.511511 -0.563333
H 1.072013 5.004305 0.456149
H 2.079014 3.123923 -2.914743
H 0.288942 3.299678 -2.679210
H -1.550858 1.045784 -2.154169
H -0.103337 -2.244494 0.252162
H -3.530134 1.704883 -0.238833
H -2.275555 -1.710937 2.094844
H 1.754806 -1.011719 -1.170300
H 2.762048 -0.124524 2.963857
H -2.345384 -0.567114 -3.861081
H -0.903877 -3.836609 -1.455858
H -2.017366 -3.011927 -3.524531
H -5.683518 0.576071 -0.721792
H -4.431076 -2.826973 1.602696
H -6.140287 -1.690973 0.195529
H 4.078590 -1.721040 -1.577459
H 5.088060 -0.859345 2.541677


%chk=000281033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281033

0 1
Br 6.329100 -2.446336 0.555213
O 1.763448 4.288285 -1.269256
N 0.235827 1.920096 -0.502328
N 0.635113 0.006705 1.078155
N -0.918346 0.975365 2.398783
N 0.249317 0.411282 2.379699
C -0.300092 0.648234 0.028087
C -1.523088 0.969595 1.008807
C -0.727033 -0.310847 -1.086533
C 0.590852 2.970317 0.497403
C 1.317624 1.862916 -1.534102
C -2.722825 0.028192 0.983290
C 0.744643 4.328312 -0.210841
C 1.426661 3.227761 -2.231677
C 1.946101 -0.536449 0.932979
C -1.292595 0.207074 -2.279240
C -0.696527 -1.714003 -0.899390
C -3.837054 0.344806 0.167751
C -2.763523 -1.142634 1.779466
C 2.428521 -1.000070 -0.320489
C 2.785750 -0.657265 2.077560
C -1.784016 -0.660235 -3.278129
C -1.190239 -2.582008 -1.896160
C -1.731434 -2.060939 -3.093386
C -4.964866 -0.503139 0.129600
C -3.893303 -1.988783 1.747204
C -4.996224 -1.675010 0.920050
C 3.718719 -1.559911 -0.431125
C 4.072510 -1.218577 1.967382
C 4.533380 -1.665998 0.711810
H -1.880321 1.987197 0.775409
H 1.539767 2.713413 1.021971
H -0.192831 3.066769 1.266647
H 1.084312 1.087259 -2.281125
H 2.299375 1.620817 -1.072694
H -0.234069 4.628879 -0.645439
H 1.086568 5.099585 0.498783
H 2.246548 3.227340 -2.968774
H 0.467259 3.469990 -2.739683
H -1.351351 1.292927 -2.410941
H -0.289207 -2.128639 0.028423
H -3.821314 1.257347 -0.441113
H -1.925971 -1.380258 2.444158
H 1.806738 -0.946656 -1.215532
H 2.421904 -0.309119 3.045907
H -2.214405 -0.242405 -4.195140
H -1.156222 -3.664806 -1.733897
H -2.114189 -2.735855 -3.866825
H -5.818485 -0.247527 -0.507968
H -3.916428 -2.888124 2.372872
H -5.873545 -2.331173 0.898427
H 4.073445 -1.912001 -1.403890
H 4.706921 -1.300995 2.854635


