%chk=000267348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267348

0 1
Br 0.712778 3.079356 -2.178227
O -1.734017 0.114874 -1.254149
O -2.443558 2.176510 1.340860
O -2.947100 -1.048636 1.868360
O -3.848439 -0.688203 -1.371169
N 0.240099 0.960726 -0.347812
N 2.436317 1.233364 -1.042248
N 0.608159 -1.025626 1.161141
N 2.952456 -1.727321 1.261333
N 4.670006 -0.654664 0.038564
C -1.892469 0.898449 1.024894
C -1.226301 1.118340 -0.363998
C -3.016878 -0.135489 0.779106
C -2.670503 -0.790103 -0.591949
C -2.093164 -2.180890 -0.592372
C 0.997625 -0.049994 0.281847
C 1.189338 1.667146 -1.145386
C 2.360484 0.146097 -0.148457
C 3.347739 -0.740907 0.375530
C 1.630687 -1.812230 1.601098
H -1.202497 0.554155 1.831035
H -1.506419 2.110778 -0.806904
H -4.025587 0.338872 0.743910
H -1.425043 -2.336883 -1.451627
H -1.481042 -2.348314 0.313835
H -2.874088 -2.948679 -0.628753
H -2.698875 2.209791 2.290358
H -3.635591 -1.744700 1.770370
H -3.637888 -0.650587 -2.331732
H 1.366462 -2.612998 2.314750
H 4.987101 0.055382 -0.604872
H 5.345307 -1.294116 0.428266


%chk=000267348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267348

0 1
Br 0.622007 3.311592 -1.976154
O -1.621503 -0.129285 -1.283416
O -1.935042 1.966227 1.661467
O -3.686115 -0.652465 1.732926
O -3.930172 -0.756482 -1.532147
N 0.333888 0.893866 -0.350579
N 2.512455 1.440770 -0.875336
N 0.778219 -1.187743 0.965094
N 3.182599 -1.689896 1.120123
N 4.841194 -0.336121 0.117860
C -1.804123 0.681392 0.987043
C -1.126332 0.929891 -0.376647
C -3.139501 0.046717 0.578505
C -2.789078 -0.840166 -0.645950
C -2.365878 -2.281003 -0.362886
C 1.149176 -0.098973 0.230687
C 1.229305 1.772012 -1.004583
C 2.479703 0.263562 -0.101941
C 3.521394 -0.583337 0.374897
C 1.859406 -1.923895 1.368215
H -1.231016 -0.048461 1.589808
H -1.421529 1.923610 -0.758234
H -3.830720 0.835015 0.215749
H -2.034558 -2.756660 -1.304655
H -1.519764 -2.297248 0.343452
H -3.204338 -2.860068 0.060329
H -2.290206 1.805818 2.571316
H -4.617106 -0.925100 1.536193
H -3.769509 -1.317548 -2.333276
H 1.639539 -2.813407 1.965889
H 5.109816 0.477278 -0.432037
H 5.542887 -0.976395 0.483890


