%chk=000259412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259412

0 1
Br 4.164766 -0.916096 0.867119
O 2.030357 -1.264053 -1.459794
O 2.443193 1.971073 1.352664
O 2.284642 1.530571 -0.843800
N -5.158265 0.631493 -0.049609
C 1.488158 -1.232475 -0.155747
C 0.030580 -0.802692 -0.142293
C 2.310195 -0.308787 0.781780
C -0.455979 0.124673 -1.072375
C -0.833889 -1.359348 0.811634
C -1.800883 0.498298 -1.055355
C -2.179298 -0.989838 0.839240
C 2.343321 1.117217 0.292487
C -2.662425 -0.059108 -0.096319
C -4.044379 0.322939 -0.071036
H 1.596126 -2.302869 0.165715
H 1.907351 -0.355432 1.826417
H 0.219580 0.558692 -1.816024
H -0.463715 -2.088728 1.532786
H -2.180441 1.218008 -1.782918
H -2.854000 -1.422407 1.579730
H 2.130467 -0.349984 -1.844037
H 2.502239 2.930654 1.074735


%chk=000259412-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259412

0 1
Br 4.181566 -1.095542 0.996431
O 2.082008 -1.054537 -1.629547
O 2.392293 1.891141 1.564100
O 2.533520 1.554303 -0.728845
N -5.261377 0.628381 0.054724
C 1.509764 -1.184855 -0.305863
C 0.022468 -0.783225 -0.241142
C 2.283616 -0.381670 0.779756
C -0.571983 -0.021795 -1.275095
C -0.770550 -1.188657 0.863650
C -1.930304 0.344765 -1.203587
C -2.129107 -0.831244 0.945449
C 2.419360 1.093506 0.435449
C -2.718987 -0.053311 -0.089560
C -4.108031 0.319218 -0.012357
H 1.601320 -2.255626 -0.050293
H 1.838217 -0.504455 1.776608
H 0.025450 0.257043 -2.147537
H -0.332454 -1.804501 1.659205
H -2.387816 0.931215 -2.006399
H -2.738569 -1.151230 1.796149
H 2.365492 -0.106033 -1.763015
H 2.511806 2.848908 1.316718


