%chk=000253519.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253519

0 1
Br 5.538212 -0.634390 0.000065
O -1.401143 -1.221457 -0.000136
O -4.144830 -1.208221 0.000597
N -0.391361 0.874660 -0.000115
N -2.752240 0.681622 0.000024
N -5.124465 0.856355 0.000975
C 0.979986 0.465176 -0.000079
C 1.950553 1.491225 -0.000175
C 1.372565 -0.885120 0.000053
C 3.305063 1.158900 -0.000133
C 2.729614 -1.207352 0.000096
C 3.683930 -0.186112 0.000004
C -1.498255 -0.019961 -0.000087
C -4.019463 -0.006817 0.000368
H 1.658975 2.538685 -0.000285
H 0.624108 -1.687860 0.000113
H -0.549708 1.882533 -0.000138
H 4.057399 1.950206 -0.000209
H 3.034484 -2.256863 0.000200
H -2.752526 1.701655 0.000120
H -5.075978 1.855673 0.000133
H -6.047920 0.445163 0.000909


%chk=000253519-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253519

0 1
Br 5.649062 -0.496563 -0.000016
O -1.445459 -1.374311 -0.000084
O -4.322020 -1.202372 0.001640
N -0.432168 0.752916 -0.000050
N -2.761223 0.600300 -0.000135
N -5.071644 0.998498 0.000457
C 0.946821 0.401771 -0.000045
C 1.887263 1.467761 0.000002
C 1.415022 -0.939590 -0.000079
C 3.272363 1.210116 0.000011
C 2.803149 -1.196660 -0.000071
C 3.719486 -0.126903 -0.000027
C -1.534684 -0.125579 -0.000107
C -4.070127 0.024078 0.000186
H 1.541397 2.509664 0.000030
H 0.699751 -1.763310 -0.000110
H -0.614048 1.758940 0.000016
H 3.985835 2.038635 0.000046
H 3.158690 -2.230997 -0.000097
H -2.708980 1.621292 -0.000181
H -4.911700 2.003962 -0.000533
H -6.029786 0.656051 0.001447


