%chk=000244512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244512

0 1
Br -8.632920 -4.039535 0.778877
Br 9.113391 -3.841871 -0.344085
O -3.610660 0.048205 -1.750580
O 3.656626 0.451911 -0.849471
N -0.315816 2.268029 0.100255
N -3.088212 2.099767 -0.801941
N 3.440254 2.275917 0.550347
N -4.752273 0.651112 0.177277
N 5.282207 0.790893 0.789433
C -1.428421 2.071394 1.087014
C -0.650126 1.601846 -1.202785
C -2.713063 2.702603 0.508267
C -1.951305 2.200836 -1.770319
C 0.984039 1.760093 0.643441
C 2.105509 2.597995 -0.012059
C -3.782063 0.843319 -0.842093
C -5.649212 -0.457010 0.256984
C 4.082541 1.102310 0.088614
C -6.615874 -0.424693 1.287102
C -5.582586 -1.557463 -0.617706
C 6.152652 -0.295823 0.468309
C -7.500785 -1.491992 1.438150
C -6.471616 -2.619510 -0.459387
C -7.420934 -2.580403 0.566042
C 7.353992 -0.392697 1.205301
C 5.842908 -1.255383 -0.512973
C 8.230933 -1.449149 0.960377
C 6.726126 -2.307511 -0.751321
C 7.910301 -2.397755 -0.013927
H -1.155130 2.594106 2.029078
H -1.605262 1.004529 1.342856
H -0.748132 0.496487 -1.117299
H 0.184365 1.790997 -1.914011
H -2.547812 3.793063 0.325908
H -3.545917 2.626743 1.235852
H -2.226660 1.684124 -2.719612
H -1.819248 3.281694 -2.002439
H 1.156218 0.677917 0.447803
H 1.012004 1.887645 1.745552
H 1.920006 3.685757 0.135367
H 2.125601 2.418194 -1.114119
H 3.618892 2.628309 1.485762
H -4.925704 1.415067 0.836364
H -6.681984 0.422378 1.965297
H -4.840234 -1.581423 -1.425862
H 5.637852 1.452412 1.481740
H -8.247758 -1.468474 2.233843
H -6.419280 -3.473157 -1.139133
H 7.606601 0.344999 1.963042
H 4.915492 -1.178479 -1.094474
H 9.159261 -1.526211 1.529731
H 6.485213 -3.052308 -1.513490


%chk=000244512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244512

0 1
Br -10.568265 -2.475795 0.253223
Br 10.247131 -3.003662 -0.489196
O -4.057697 -0.429015 -1.800664
O 3.922387 0.324464 -0.853828
N -0.166857 1.686083 0.371413
N -2.858220 1.041079 -0.439451
N 3.606546 2.171827 0.534051
N -5.089595 0.447697 0.123332
N 5.677523 1.068834 0.549621
C -1.232892 1.504031 1.381687
C -0.412326 0.787535 -0.789932
C -2.615312 1.841617 0.775146
C -1.766988 1.116100 -1.436696
C 1.201403 1.558883 0.926323
C 2.221041 2.363970 0.080946
C -4.006398 0.306373 -0.764973
C -6.325334 -0.252341 0.094759
C 4.375185 1.126695 0.018172
C -7.278480 0.073385 1.099465
C -6.647564 -1.246850 -0.868597
C 6.687542 0.110577 0.268137
C -8.528660 -0.575000 1.151124
C -7.898410 -1.898549 -0.814616
C -8.827359 -1.561317 0.189331
C 7.930554 0.253816 0.943637
C 6.511089 -0.967175 -0.641320
C 8.982693 -0.657886 0.724176
C 7.564601 -1.880715 -0.859128
C 8.788240 -1.722793 -0.178781
H -1.043617 2.185552 2.231912
H -1.262679 0.455989 1.775591
H -0.401400 -0.285768 -0.477001
H 0.386696 0.925238 -1.538284
H -2.641458 2.923568 0.528318
H -3.374988 1.639209 1.549582
H -2.003524 0.403064 -2.241830
H -1.728720 2.140926 -1.859204
H 1.541273 0.497388 0.977929
H 1.197168 1.954580 1.960424
H 1.966255 3.437686 0.117296
H 2.174170 2.036097 -0.970749
H 3.959661 2.763278 1.286877
H -5.019027 1.156349 0.853175
H -7.046672 0.839386 1.850854
H -5.923073 -1.488782 -1.647567
H 5.949845 1.802079 1.207483
H -9.252203 -0.314155 1.928571
H -8.140424 -2.663038 -1.558653
H 8.083027 1.081848 1.647977
H 5.560551 -1.076569 -1.165901
H 9.933791 -0.536828 1.250130
H 7.423767 -2.709161 -1.559391


