%chk=000245494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245494

0 1
Br 2.134054 2.775843 -0.075581
O 2.153466 -1.504844 -0.552435
O 3.045385 -0.020707 0.909581
O -3.918438 -0.318013 -0.154270
O -2.659590 -2.063409 0.085074
N -2.835441 -0.863991 -0.034376
C 0.767013 0.248382 0.081757
C -0.364393 -0.578087 0.073561
C -1.634397 0.004488 -0.032623
C 0.612710 1.638663 -0.036949
C -1.790694 1.396323 -0.139734
C -0.659555 2.212506 -0.144648
C 2.114906 -0.371827 0.231015
C 3.392517 -2.266753 -0.528258
H -0.257785 -1.671335 0.144178
H -2.797174 1.827557 -0.220785
H -0.773394 3.297447 -0.232668
H 3.589712 -2.616513 0.489970
H 4.214306 -1.641479 -0.891899
H 3.172193 -3.093652 -1.212710


%chk=000245494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245494

0 1
Br 2.034711 3.033663 0.117050
O 2.071066 -1.687469 -0.326207
O 3.264020 0.241648 0.181103
O -3.967120 -0.346390 -0.158373
O -2.573316 -2.151815 -0.242181
N -2.792512 -0.882627 -0.171280
C 0.810042 0.317379 -0.044028
C -0.330102 -0.525475 -0.116170
C -1.620728 0.025713 -0.099363
C 0.596398 1.725834 0.037433
C -1.836188 1.417985 -0.016287
C -0.715471 2.261704 0.049290
C 2.170052 -0.321188 -0.043071
C 3.354105 -2.430061 -0.329730
H -0.196964 -1.606668 -0.183999
H -2.854739 1.813657 -0.005644
H -0.850039 3.344749 0.109743
H 3.834609 -2.362786 0.660570
H 4.032220 -2.011888 -1.092039
H 3.075356 -3.465366 -0.568618


