%chk=000245630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245630

0 1
Br -3.429012 2.384175 -0.000571
O 3.668720 -0.959061 -0.002030
N 0.992593 -0.563009 -0.001864
N 4.240367 1.235872 0.001475
C -0.395029 -0.494656 -0.001157
C 1.842729 0.639956 -0.004064
C -1.091198 0.737596 -0.001545
C -1.124220 -1.717164 0.000361
C -2.482546 0.706400 -0.000164
C -2.511280 -1.690102 0.001656
C -3.216057 -0.474253 0.001438
C 3.307946 0.204597 -0.001380
H 1.478484 -1.462159 -0.003099
H 1.628154 1.267072 -0.904890
H 1.625689 1.271674 0.892932
H -0.560895 1.683294 -0.002910
H -0.596500 -2.667008 0.000590
H -3.070530 -2.627403 0.002862
H -4.302807 -0.470554 0.002498
H 5.226334 1.014350 0.003185
H 4.001159 2.209785 0.002178


%chk=000245630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245630

0 1
Br -3.467214 2.427361 -0.001735
O 3.637026 -1.021074 -0.001936
N 1.009891 -0.521913 -0.000438
N 4.248526 1.220824 -0.000768
C -0.378346 -0.498907 -0.000324
C 1.844372 0.660275 -0.001866
C -1.100132 0.734105 -0.001085
C -1.115363 -1.723750 0.000684
C -2.506346 0.702861 -0.000748
C -2.520034 -1.708267 0.000906
C -3.250155 -0.490980 0.000226
C 3.317927 0.204225 -0.001876
H 1.524651 -1.408644 -0.001272
H 1.664989 1.297842 -0.896965
H 1.665142 1.299821 0.891794
H -0.576174 1.693057 -0.001975
H -0.574153 -2.677285 0.001306
H -3.068885 -2.656576 0.001669
H -4.342412 -0.482666 0.000477
H 5.238311 0.975282 -0.000727
H 3.980481 2.203810 0.000156


