%chk=000267832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267832

0 1
Br 5.480629 0.441342 -0.610814
Cl -4.987420 -1.166457 -1.131351
O -1.363626 1.390346 0.267857
N -0.422947 -0.732824 0.483197
N -2.739193 -0.360917 0.893965
C 0.945097 -0.400532 0.236297
C -3.935071 0.499703 0.725817
C -1.491897 0.201108 0.502967
C 1.886129 -1.449341 0.336580
C 1.362497 0.896832 -0.112482
C -4.476347 0.496455 -0.701591
C 3.233505 -1.194229 0.083112
C 2.711997 1.142493 -0.363354
C 3.635482 0.097944 -0.264933
H -4.706850 0.139163 1.446501
H -3.673447 1.549124 1.021190
H -2.916459 -1.353018 0.723698
H -0.599858 -1.695634 0.777561
H 1.575543 -2.455727 0.607714
H 0.635627 1.715581 -0.184895
H -3.712931 0.817078 -1.438962
H -5.355575 1.159768 -0.807759
H 3.962187 -2.003741 0.158870
H 3.035826 2.150087 -0.634184


%chk=000267832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267832

0 1
Br 5.711477 0.298474 -0.367417
Cl -5.425767 -1.505963 -0.580738
O -1.294531 1.598922 0.283940
N -0.389051 -0.584743 0.372754
N -2.698834 -0.248900 0.556568
C 0.996373 -0.321231 0.200839
C -3.914794 0.563819 0.589293
C -1.443646 0.343641 0.393815
C 1.878023 -1.436665 0.205990
C 1.528245 0.984963 0.026437
C -4.835764 0.304719 -0.602955
C 3.266522 -1.261593 0.039816
C 2.918737 1.159187 -0.141017
C 3.776167 0.041315 -0.133559
H -4.468156 0.396872 1.532696
H -3.588251 1.621013 0.563841
H -2.819781 -1.263702 0.557606
H -0.629097 -1.569474 0.505116
H 1.482626 -2.451752 0.339644
H 0.853815 1.842749 0.025204
H -4.323289 0.428437 -1.567574
H -5.755920 0.905577 -0.555744
H 3.934294 -2.127519 0.045589
H 3.323501 2.166457 -0.275143


