%chk=000184278.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184278

0 1
Br -5.866994 -0.982193 0.044362
N 1.849199 -0.658180 0.025101
N -0.499261 -1.448862 0.054027
N 4.065134 0.525055 -0.028079
N 0.732101 1.951658 -0.080780
N 2.047578 1.761052 -0.073968
C 0.461524 -0.517559 0.016949
C -0.067950 0.903225 -0.037984
C -1.508229 0.716928 -0.028892
C -1.726713 -0.711343 0.027702
C 2.626335 0.541619 -0.027201
C 2.428827 -2.019855 0.061497
C -2.581377 1.600334 -0.062170
C -3.022175 -1.231918 0.049946
C -3.878201 1.074218 -0.039551
C 4.656587 -0.072790 -1.254717
C 4.653671 0.016205 1.239353
C -4.071637 -0.312888 0.015326
H 2.758912 -2.331149 -0.945164
H 1.667476 -2.757348 0.397766
H 3.279963 -2.072313 0.765889
H -2.411568 2.677213 -0.104891
H -3.185928 -2.309282 0.092385
H -4.734228 1.749900 -0.064914
H 4.138643 0.319027 -2.148653
H 4.652566 -1.171097 -1.293385
H 5.705056 0.274557 -1.321808
H 4.230838 0.583398 2.089283
H 5.738291 0.226465 1.225798
H 4.505761 -1.062376 1.421973


%chk=000184278-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184278

0 1
Br -5.958255 -0.688588 -0.602416
N 1.782506 -0.904877 -0.046085
N -0.562300 -1.469676 -0.442728
N 4.003133 -0.018396 0.229609
N 0.813420 1.686351 0.727300
N 2.178126 1.412657 0.644253
C 0.420190 -0.620331 -0.126143
C -0.019438 0.728031 0.283335
C -1.467084 0.671029 0.164551
C -1.748800 -0.674320 -0.282182
C 2.627459 0.177047 0.258748
C 2.203151 -2.325727 -0.095452
C -2.511206 1.592742 0.379672
C -3.072471 -1.095342 -0.515010
C -3.842463 1.177914 0.150109
C 4.667182 -0.662430 -0.927478
C 4.853680 0.956523 0.947155
C -4.092690 -0.147405 -0.290031
H 2.334159 -2.673669 -1.134394
H 1.399258 -2.925989 0.359806
H 3.142869 -2.442449 0.464941
H -2.300610 2.611702 0.718816
H -3.286714 -2.111719 -0.853419
H -4.675151 1.867804 0.310007
H 3.937588 -1.160085 -1.581899
H 5.410977 -1.407383 -0.591018
H 5.190186 0.105710 -1.532351
H 4.370152 1.254310 1.887916
H 5.022475 1.873293 0.349043
H 5.824869 0.474976 1.160548


