%chk=000215335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215335

0 1
Br -4.749203 3.591038 -1.873495
F 6.049095 0.838040 0.852116
F 4.766950 2.324108 0.080716
F 4.552813 1.670017 2.083385
O -2.251472 -0.928151 1.275706
O 0.050148 2.025723 0.603869
O -2.948505 -4.256895 0.142063
O -1.438454 -2.787311 -0.630633
N 0.069955 -0.164212 -0.132698
C 1.468455 -0.438735 -0.056599
C -2.041633 1.036950 0.011175
C 3.765457 0.167211 0.389252
C -2.893115 0.024879 0.493303
C 2.411327 0.518787 0.355896
C -0.555100 1.044243 0.221802
C 1.887497 -1.736492 -0.428851
C -2.611573 2.115213 -0.679704
C 4.190342 -1.113021 0.020725
C 3.240836 -2.058451 -0.387657
C -4.273288 0.040955 0.257770
C 4.757603 1.212414 0.836142
C -3.989609 2.136327 -0.913159
C -4.822214 1.108680 -0.454938
C -2.816703 -2.244577 1.348331
C -2.293047 -3.057153 0.178603
H 2.080483 1.526200 0.646945
H -0.525838 -0.966548 -0.408663
H 1.155024 -2.479490 -0.750070
H -1.964993 2.930628 -1.029106
H 5.243580 -1.390730 0.043787
H 3.568006 -3.057823 -0.677086
H -4.916425 -0.751158 0.635892
H -5.898809 1.138161 -0.645129
H -2.407113 -2.628535 2.312220
H -3.923045 -2.240091 1.396932
H -2.636031 -4.853402 -0.597241


%chk=000215335-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215335

0 1
Br -4.828166 4.328017 -0.190951
F 6.098186 0.972345 0.822682
F 5.259895 1.681961 -1.156178
F 4.476279 2.560587 0.776962
O -2.301291 -1.296917 0.115722
O 0.092255 2.217561 0.066262
O -2.913147 -4.852013 0.213520
O -0.928483 -3.632128 0.247016
N 0.098529 -0.125669 0.151440
C 1.493703 -0.382712 0.197753
C -2.052646 1.105540 0.033219
C 3.843551 0.269179 0.240717
C -2.918599 -0.028645 0.044229
C 2.481029 0.637558 0.191978
C -0.532880 1.110027 0.085933
C 1.892291 -1.748789 0.251737
C -2.650075 2.389707 -0.036705
C 4.249333 -1.083794 0.292731
C 3.257141 -2.087909 0.300503
C -4.322550 0.122820 -0.013862
C 4.889052 1.346894 0.181363
C -4.045173 2.535064 -0.094096
C -4.894215 1.410846 -0.083736
C -3.124938 -2.490820 0.125967
C -2.170825 -3.675636 0.202036
H 2.173664 1.684086 0.158502
H -0.520081 -0.950622 0.162479
H 1.127967 -2.533519 0.258613
H -1.970380 3.247443 -0.044271
H 5.311067 -1.342055 0.337715
H 3.550369 -3.141711 0.345333
H -4.987622 -0.745114 -0.005835
H -5.980484 1.526910 -0.128776
H -3.802338 -2.512690 1.002484
H -3.735729 -2.574405 -0.794676
H -2.313290 -5.644598 0.263791


