%chk=000228079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228079

0 1
Br 0.649649 3.735286 0.193624
O 2.055916 -2.265538 0.911977
O 2.884907 -1.389245 -0.880827
O -3.586943 0.678449 0.208733
O -3.162537 -1.303895 -0.530531
N 2.061193 -1.446597 0.012414
N -2.818348 -0.207444 -0.127333
C -0.367390 -0.879669 -0.037170
C 0.978686 -0.428295 0.008753
C 1.330444 0.935473 0.050498
C -1.375241 0.105943 -0.046085
C 0.274760 1.878303 0.081383
C -1.050696 1.477634 0.032773
C -0.653445 -2.331089 -0.083921
C 2.735718 1.405473 0.079887
H -1.869769 2.217361 0.055628
H -0.068800 -2.907096 0.659383
H -1.712870 -2.594874 0.103146
H -0.427085 -2.760575 -1.076160
H 3.497007 0.619814 -0.053102
H 2.936890 2.136001 -0.727572
H 2.970354 1.923482 1.027703


%chk=000228079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228079

0 1
Br 0.658991 3.809539 0.147004
O 2.274950 -2.028558 1.155254
O 2.719683 -1.592008 -1.042641
O -3.661980 0.724720 0.159838
O -3.177209 -1.366930 -0.593985
N 2.056158 -1.413226 0.045601
N -2.824652 -0.200198 -0.171971
C -0.376011 -0.898374 -0.058790
C 0.954078 -0.406611 0.020706
C 1.345377 0.956633 0.074936
C -1.372537 0.119072 -0.074735
C 0.277829 1.894526 0.065992
C -1.061949 1.494938 -0.002250
C -0.663740 -2.384721 -0.121984
C 2.789616 1.394051 0.157616
H -1.879553 2.218776 -0.000021
H 0.230512 -2.984053 0.101833
H -1.456168 -2.667263 0.590249
H -1.041920 -2.662074 -1.120491
H 3.495499 0.551815 0.183997
H 3.046879 2.025872 -0.711795
H 2.948547 2.012974 1.058838


