%chk=000184376.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184376

1 1
Br 3.053674 -2.027739 -0.123160
N -2.702487 -0.210305 0.046208
N -3.780292 0.071966 0.073822
C 0.443008 2.780265 -0.401044
C 1.720189 2.407608 0.347563
C -0.713842 1.869308 0.039554
C 2.137003 0.966401 0.041956
C -0.344874 0.419227 0.017037
C 0.999944 -0.016691 0.013863
C -1.373168 -0.572604 0.016260
C 1.275782 -1.394092 -0.041026
C -1.073466 -1.967999 -0.014846
C 0.245495 -2.361426 -0.049302
H 0.599337 2.702161 -1.496470
H 0.178236 3.841433 -0.212402
H 1.583663 2.546298 1.439521
H 2.543400 3.099832 0.068950
H -1.591134 2.090854 -0.602901
H -1.011108 2.152872 1.079421
H 2.899605 0.654032 0.794968
H 2.667002 0.928709 -0.940230
H -1.878090 -2.710797 -0.013895
H 0.498623 -3.432512 -0.082747


%chk=000184376-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184376

1 1
Br 3.083064 -2.075049 -0.117994
N -2.670389 -0.205370 0.048109
N -3.781770 0.131694 0.074661
C 0.445302 2.818643 -0.394025
C 1.723767 2.428444 0.370663
C -0.719073 1.891192 0.017428
C 2.157766 0.991080 0.016580
C -0.335632 0.419329 0.013295
C 1.015958 -0.015012 0.002085
C -1.357301 -0.600163 0.020650
C 1.270928 -1.423470 -0.037145
C -1.092871 -2.006354 0.003712
C 0.240742 -2.406081 -0.031559
H 0.619385 2.745652 -1.484447
H 0.164856 3.864133 -0.179907
H 1.546365 2.514300 1.460248
H 2.546252 3.122464 0.127009
H -1.588806 2.061849 -0.647688
H -1.051773 2.163880 1.041977
H 2.934165 0.643314 0.722857
H 2.639566 0.976452 -0.982746
H -1.907697 -2.735314 0.012154
H 0.493696 -3.468814 -0.054816


