%chk=000269864.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269864

0 1
Br 2.480421 2.733558 0.510794
O -2.297235 0.666669 1.125715
O -0.093534 -2.508645 -0.369754
N -0.301573 -0.320871 0.307454
N 1.837729 -1.225094 -0.491532
N 3.711290 0.175220 -0.575996
C -1.762561 -0.556906 0.618166
C -2.570806 -0.927826 -0.634578
C -3.259119 0.372184 -1.073767
C -3.119284 1.329557 0.114242
C 0.273225 0.906693 0.531073
C 0.505148 -1.468097 -0.222558
C 1.608112 1.095697 0.246494
C 2.386178 -0.000524 -0.275181
H -1.820698 -1.285304 1.460516
H -3.307387 -1.715930 -0.388331
H -1.939692 -1.364584 -1.433491
H -2.781723 0.785105 -1.981206
H -4.317187 0.197237 -1.336132
H -2.601498 2.269343 -0.130816
H -4.067197 1.536340 0.637490
H -0.356213 1.714754 0.944859
H 4.252347 -0.605324 -0.926169
H 4.200258 1.039047 -0.408193


%chk=000269864-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269864

0 1
Br 2.406310 2.910284 0.267079
O -2.306605 0.635935 1.205133
O -0.066661 -2.608887 -0.135622
N -0.285010 -0.314223 0.279325
N 1.847171 -1.257062 -0.380529
N 3.732258 0.089010 -0.604672
C -1.738851 -0.567274 0.611687
C -2.576779 -0.874072 -0.650604
C -3.057564 0.529867 -1.095588
C -3.302916 1.232573 0.252847
C 0.277401 0.932301 0.390818
C 0.510184 -1.483644 -0.094836
C 1.615149 1.121743 0.099415
C 2.400920 -0.026841 -0.300876
H -1.750016 -1.386213 1.348065
H -3.433967 -1.506737 -0.358224
H -1.993422 -1.418255 -1.406629
H -2.270389 1.046736 -1.673308
H -3.968196 0.486448 -1.715452
H -3.130126 2.321774 0.240181
H -4.312338 1.023149 0.652688
H -0.382981 1.728578 0.741600
H 4.233351 -0.757919 -0.867247
H 4.212082 0.985030 -0.556154


