%chk=000259178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259178

0 1
Br 5.683817 0.567994 0.196201
Br 2.007421 -3.193107 -1.996951
O -2.629311 -1.049577 2.187821
O -3.686099 1.147724 -1.724234
O 2.977193 1.799908 1.266773
N -3.042401 0.343043 0.367339
N -0.788627 1.091379 0.033912
C -2.071581 1.421055 0.714018
C -4.032002 -1.824026 0.319864
C -4.383564 -1.091159 -0.981826
C -3.143856 -0.875248 1.112113
C -3.689131 0.261719 -0.906984
C 0.359746 0.982283 0.985321
C 1.493943 0.224390 0.343225
C -0.509208 1.996032 -1.113815
C 2.830362 0.666390 0.519304
C 1.268343 -0.928826 -0.408490
C 3.902581 -0.039835 -0.049926
C 2.348312 -1.622303 -0.972258
C 3.663813 -1.194614 -0.802573
H -1.979401 1.441276 1.827731
H -2.514114 2.389224 0.373179
H -3.499473 -2.777532 0.135100
H -4.929906 -2.092336 0.909250
H -5.474904 -0.956683 -1.109310
H -4.042741 -1.642700 -1.879934
H 0.022285 0.409705 1.886090
H 0.717647 1.975028 1.348953
H 0.357300 1.607732 -1.674999
H -0.298493 3.039047 -0.836721
H -1.377985 1.980576 -1.800632
H 0.238024 -1.274007 -0.556649
H 4.497521 -1.746735 -1.246483
H 3.930489 2.080482 1.366294


%chk=000259178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259178

0 1
Br 4.907490 -1.210278 1.243076
Br 0.715207 -2.650089 -2.552238
O -1.846381 -0.681015 2.298655
O -3.481228 0.606429 -1.899536
O 2.866264 1.163643 1.796378
N -2.581390 0.246082 0.252721
N -0.866305 2.032947 -0.033943
C -2.142030 1.667717 0.517222
C -2.889256 -2.105096 0.517636
C -3.448485 -1.676260 -0.861108
C -2.370944 -0.815553 1.167082
C -3.202787 -0.164605 -0.947547
C 0.360920 1.763116 0.704578
C 1.163807 0.544024 0.220072
C -0.768444 2.727224 -1.326398
C 2.427512 0.274492 0.813532
C 0.679455 -0.323769 -0.779062
C 3.163265 -0.860002 0.394359
C 1.433050 -1.448009 -1.170579
C 2.684616 -1.740197 -0.596103
H -2.137317 1.752977 1.619160
H -2.935481 2.306526 0.093646
H -2.052836 -2.820997 0.438609
H -3.647047 -2.562579 1.176058
H -4.528443 -1.872439 -0.974742
H -2.938485 -2.168650 -1.707018
H 0.118989 1.603232 1.773299
H 1.030243 2.647933 0.674316
H -0.003857 2.259908 -1.978545
H -0.497529 3.797782 -1.202799
H -1.732995 2.659778 -1.856456
H -0.285801 -0.100402 -1.240367
H 3.265945 -2.612375 -0.901986
H 3.746280 0.874806 2.158730


