%chk=000257142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257142

0 1
Br 3.800174 0.799165 1.987061
O -0.323365 -1.930670 1.652057
O 1.835030 0.726698 -1.397077
N -2.258169 1.053569 -0.286129
N 1.227168 0.192154 0.770914
N -2.279097 -1.130884 0.743529
N -4.314153 -0.163666 -0.026033
C -0.863332 1.193573 -0.075453
C -0.183482 0.165563 0.525996
C -0.260041 2.460771 -0.554346
C -0.886968 -1.054170 1.035350
C -2.909120 -0.136062 0.144974
C 2.141647 0.378332 -0.269978
C 3.587006 0.210877 0.150162
H -2.784275 1.832372 -0.679042
H 0.395201 2.261425 -1.436124
H 0.407068 2.896479 0.210732
H -0.976471 3.236426 -0.844946
H 1.488385 -0.339859 1.617613
H 4.251413 0.812359 -0.503076
H 3.914516 -0.843484 0.064588
H -4.750624 -1.029301 0.301628
H -4.667612 0.113632 -0.934100


%chk=000257142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257142

0 1
Br 3.986423 -0.320691 2.155989
O -0.258814 -1.703366 1.919211
O 2.061888 0.970688 -1.369153
N -2.288603 0.987420 -0.331841
N 1.207978 0.140763 0.662652
N -2.289654 -1.054586 0.923904
N -4.274356 -0.275947 -0.037092
C -0.895727 1.175764 -0.214942
C -0.191246 0.181483 0.441586
C -0.353636 2.473150 -0.754908
C -0.909862 -0.926398 1.147103
C -2.921154 -0.136363 0.198548
C 2.218889 0.482473 -0.203370
C 3.666277 0.226631 0.227297
H -2.826033 1.717615 -0.802097
H 0.426619 2.278223 -1.511445
H 0.127678 3.054272 0.053180
H -1.153300 3.096932 -1.194158
H 1.440995 -0.453229 1.479121
H 4.250972 1.145465 0.074456
H 4.088901 -0.587788 -0.381559
H -4.719921 -1.089576 0.381214
H -4.803417 0.322365 -0.665395


