%chk=000266634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266634

0 1
Br -7.137142 0.141675 -0.375017
Br 2.740479 4.018281 -2.728721
Br 3.760135 -3.491938 2.530802
O -1.523539 1.480298 -1.542711
N -1.353687 -1.066014 0.990243
N 1.103351 1.945352 2.714761
N 1.267024 -1.764469 -2.704442
C -0.578552 -0.121676 0.095756
C 0.188201 0.848257 0.935286
C 0.308977 -0.890167 -0.827216
C -1.718458 0.651933 -0.694749
C -2.991833 0.096567 -0.207435
C -2.726498 -0.961370 0.710483
C 1.041282 1.895837 0.423454
C 1.395089 -1.747149 -0.415346
C 0.239478 0.906959 2.321810
C 0.264191 -0.912514 -2.216364
C 1.610028 2.565235 1.559848
C 1.977561 -2.290192 -1.611458
C -4.299041 0.442048 -0.537549
C -3.774438 -1.707498 1.275292
C 1.367701 2.338381 -0.872730
C 1.937124 -2.097488 0.836124
C 2.508297 3.643477 1.420439
C 3.066774 -3.184786 -1.572219
C -5.332038 -0.295783 0.047160
C -5.079519 -1.355502 0.936321
C 2.253605 3.393295 -0.984480
C 3.002247 -2.978108 0.849326
C 2.826598 4.046853 0.136319
C 3.570097 -3.525162 -0.329766
H -0.937574 -1.973980 1.175782
H -0.277331 0.295844 3.044469
H -0.398705 -0.374367 -2.880689
H 1.316343 2.203009 3.658726
H 1.466439 -1.939380 -3.671383
H -4.494618 1.262090 -1.234050
H -3.575899 -2.522747 1.964500
H 0.905050 1.859099 -1.739311
H 1.528392 -1.660404 1.747595
H 2.930891 4.135301 2.290928
H 3.494025 -3.586181 -2.486863
H -5.915377 -1.913483 1.368722
H 3.519528 4.875225 -0.020434
H 4.412843 -4.214657 -0.251214


%chk=000266634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266634

0 1
Br -7.279098 0.070241 -0.374330
Br 3.304956 3.749784 -2.630820
Br 4.104125 -3.219783 2.417357
O -1.592661 1.491991 -1.581023
N -1.389150 -1.067527 0.961230
N 0.867919 2.084460 2.731023
N 1.115579 -1.875159 -2.754383
C -0.619273 -0.128725 0.086467
C 0.149098 0.877500 0.932816
C 0.271388 -0.901001 -0.872673
C -1.781304 0.620252 -0.691620
C -3.047230 0.076313 -0.183398
C -2.754501 -0.963586 0.752557
C 1.103950 1.870230 0.466701
C 1.421333 -1.708160 -0.497994
C 0.026910 1.048028 2.312607
C 0.121634 -1.028884 -2.253746
C 1.544621 2.606724 1.622394
C 1.926634 -2.314653 -1.701719
C -4.375738 0.405817 -0.534340
C -3.808616 -1.714596 1.335148
C 1.621592 2.212782 -0.811757
C 2.073107 -1.970682 0.738000
C 2.488742 3.652951 1.538964
C 3.044831 -3.175241 -1.700520
C -5.406778 -0.336012 0.063118
C -5.133149 -1.387670 0.981790
C 2.560453 3.250656 -0.875322
C 3.179069 -2.832792 0.721236
C 3.003530 3.973064 0.267697
C 3.673564 -3.438303 -0.466835
H -0.937562 -1.886728 1.366848
H -0.602270 0.506104 3.014402
H -0.605606 -0.558339 -2.911425
H 0.974922 2.402471 3.691473
H 1.240960 -2.112313 -3.736041
H -4.572210 1.207626 -1.251873
H -3.613035 -2.524751 2.044701
H 1.279516 1.694706 -1.709436
H 1.744842 -1.490800 1.664218
H 2.819506 4.207239 2.423450
H 3.426598 -3.630644 -2.620131
H -5.964154 -1.948702 1.420501
H 3.737520 4.775860 0.156491
H 4.542936 -4.099745 -0.421805


