%chk=000180015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180015

0 1
Br 0.178278 -2.586192 -2.656019
Br -2.996792 -3.988710 1.871566
Br 1.433686 -0.415940 2.153899
Br 4.711952 1.853036 -1.961020
O -3.764080 0.418654 -0.729364
O -3.159283 -1.483079 -2.503331
O -0.537733 -4.067149 -0.063359
O -1.699855 3.642691 1.532807
O 3.755468 -0.213864 0.071295
N -3.499286 1.731638 -0.498876
N -0.982529 3.801357 -0.645441
N 3.456554 -5.014496 0.268476
C -2.574143 -0.417067 -0.367447
C -1.571392 0.595951 0.228921
C -2.073185 -1.058620 -1.700483
C -3.031770 -1.444203 0.628590
C -2.308922 1.901594 0.007455
C -1.151098 -2.209045 -1.371682
C -2.412577 -2.632028 0.686683
C -1.316118 -2.955482 -0.254595
C -1.672420 3.199003 0.401157
C -0.094986 4.968383 -0.421937
C 0.973621 4.704419 0.657490
C 1.687479 3.397238 0.470759
C 0.341101 -4.040790 1.099006
C 2.707498 3.263063 -0.484754
C 1.317998 2.292358 1.256478
C 2.997535 0.929591 0.146531
C 1.960475 1.067862 1.086291
C 3.349348 2.036066 -0.650553
C 3.162224 -1.336243 -0.671628
C 3.692463 -2.560172 0.066892
C 3.327579 -3.856771 -0.668136
H -0.579873 0.572014 -0.259004
H -1.380893 0.425325 1.310301
H -1.593462 -0.283322 -2.349283
H -3.871931 -1.152399 1.264715
H -3.660474 -2.217782 -2.080386
H -0.964070 3.382918 -1.570850
H -0.716219 5.841507 -0.106139
H 0.384069 5.230789 -1.390311
H 1.695701 5.546669 0.670969
H 0.477039 4.730312 1.658685
H 0.891573 -4.987289 0.971534
H -0.223547 -4.032897 2.030918
H 1.028151 -3.193024 1.020238
H 2.997296 4.121132 -1.095374
H 0.525721 2.406703 2.006768
H 2.063350 -1.270543 -0.670425
H 3.553584 -1.238872 -1.699360
H 3.292271 -2.574685 1.104252
H 4.791076 -2.469198 0.192691
H 3.947145 -3.961061 -1.584681
H 2.263042 -3.829824 -1.004635
H 3.341285 -5.887258 -0.240789
H 4.383777 -5.038569 0.684392


%chk=000180015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180015

0 1
Br -0.892709 -3.651822 2.460336
Br -6.272974 -3.385395 0.277018
Br 2.328577 -0.884135 1.468649
Br 5.671826 2.738383 -1.645120
O -2.371068 -0.396035 -1.655749
O -1.274979 -2.906498 -1.014107
O -3.993259 -4.098638 2.337992
O -1.646450 2.946774 1.507327
O 4.763340 0.048621 -0.299866
N -1.786112 0.907189 -1.457611
N -0.647407 3.288703 -0.584328
N 6.492308 -3.761869 -2.849676
C -2.749842 -0.969354 -0.281030
C -2.664665 0.263525 0.670117
C -1.678190 -2.047459 0.100541
C -4.134111 -1.563555 -0.414885
C -1.924403 1.262771 -0.194590
C -2.208495 -2.872391 1.266173
C -4.491789 -2.583387 0.412916
C -3.543277 -3.174439 1.397869
C -1.404535 2.572038 0.312775
C 0.027212 4.545773 -0.226002
C 1.114563 4.382876 0.885196
C 2.099086 3.264479 0.591455
C -4.735196 -3.539100 3.495036
C 3.236276 3.477167 -0.226720
C 1.856811 1.962849 1.097873
C 3.862631 1.085901 -0.055134
C 2.718807 0.901491 0.767102
C 4.093382 2.403474 -0.536268
C 4.485144 -0.774468 -1.520120
C 5.570102 -1.847592 -1.581284
C 5.417358 -2.751879 -2.823660
H -2.124768 0.044937 1.606571
H -3.657727 0.659761 0.948629
H -0.741311 -1.534578 0.374969
H -4.805507 -1.140149 -1.166307
H -2.058228 -3.427590 -1.332446
H -0.489220 2.869576 -1.505256
H -0.722481 5.275416 0.132917
H 0.482649 4.944697 -1.149231
H 1.636208 5.354317 0.975160
H 0.595687 4.191003 1.839582
H -5.049320 -4.414112 4.081502
H -5.622386 -2.969288 3.163433
H -4.064271 -2.897311 4.095036
H 3.456660 4.476751 -0.615163
H 0.997615 1.788965 1.753002
H 3.474452 -1.219016 -1.426274
H 4.513956 -0.109400 -2.406778
H 5.531068 -2.473775 -0.672861
H 6.559790 -1.349667 -1.596815
H 5.377855 -2.107163 -3.738037
H 4.449283 -3.286349 -2.768299
H 6.357635 -4.512592 -3.532733
H 7.436100 -3.364733 -2.892930


