%chk=000266929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266929

0 1
Br -1.758105 2.159698 0.852187
O 1.608299 -0.954245 0.912085
O 2.016362 2.211871 0.915739
O 2.366247 0.306085 -2.097207
O 5.169395 -0.475680 0.288838
O -4.310287 1.138044 -0.632194
O -4.721673 -0.903415 -1.221720
N -0.492906 -0.237808 0.254001
N -2.002256 -1.588192 -0.788214
N -3.992643 -0.028260 -0.810420
C 1.496258 1.274833 -0.022933
C 2.649372 0.507776 -0.725603
C 0.789120 0.214335 0.867751
C 2.781413 -0.820238 0.048725
C 3.986281 -0.817267 1.007982
C -1.679849 0.475055 0.162428
C -0.739785 -1.513155 -0.340758
C -2.602597 -0.359193 -0.484122
H 0.828754 1.781352 -0.752685
H 3.609688 1.083480 -0.745125
H 0.628362 0.542774 1.926518
H 2.757443 -1.709055 -0.613225
H 4.098457 -1.786293 1.523396
H 3.898223 -0.008326 1.764164
H 2.281289 3.044467 0.460302
H 1.546510 -0.219438 -2.234566
H 0.011384 -2.293277 -0.376943
H 5.460544 -1.219327 -0.281301


%chk=000266929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266929

0 1
Br -1.835815 2.213017 0.986734
O 1.625078 -1.022916 0.926769
O 2.198886 2.064564 1.070951
O 1.976682 0.080259 -2.115968
O 5.280249 -0.385762 0.224801
O -4.445748 1.133659 -0.484390
O -4.641130 -0.864905 -1.584293
N -0.511527 -0.249397 0.230076
N -2.010954 -1.518073 -0.911625
N -3.979107 -0.004789 -0.896287
C 1.530724 1.239081 0.062687
C 2.533802 0.418996 -0.803424
C 0.775646 0.154936 0.878060
C 2.847964 -0.808973 0.074695
C 4.060184 -0.614521 1.009384
C -1.695406 0.493998 0.171351
C -0.757034 -1.461002 -0.431457
C -2.599715 -0.313212 -0.545503
H 0.857726 1.836017 -0.580343
H 3.451953 0.981348 -1.033749
H 0.563712 0.512666 1.899434
H 2.967451 -1.716219 -0.546620
H 4.152331 -1.489361 1.682032
H 3.924039 0.293606 1.615907
H 2.699817 2.793810 0.626884
H 1.152492 -0.464537 -2.019031
H -0.023085 -2.259758 -0.468228
H 5.584085 -1.235929 -0.181748


