%chk=000297720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297720

0 1
Br 5.574827 0.665745 2.410426
O 2.095975 0.818752 -0.949809
N 0.481528 -0.799239 -0.471971
N -2.918727 1.670553 0.217192
N 2.711491 -1.412749 -1.031073
C -1.921266 -0.577845 -0.010170
C -0.641877 0.052512 -0.264259
C -3.029769 0.285487 0.226939
C -0.549954 1.427871 -0.275275
C -1.720837 2.214670 -0.026940
C -2.140380 -1.987908 0.016402
C -4.325354 -0.274487 0.488032
C -3.387894 -2.503048 0.267055
C -4.493039 -1.634190 0.506539
C -1.617884 3.703931 -0.037026
C 1.789472 -0.351293 -0.806135
C 4.133748 -1.026334 -1.231599
C 4.859302 -0.783308 0.069795
C 4.676092 0.335684 0.764808
H 0.397618 1.939225 -0.474490
H -1.301304 -2.659292 -0.166946
H 0.283226 -1.805384 -0.487475
H -5.152665 0.415240 0.666840
H -3.554928 -3.578370 0.286890
H -5.471130 -2.073507 0.703454
H -0.911420 4.058822 0.727443
H -1.264789 4.071224 -1.011752
H -2.588696 4.186817 0.163795
H 2.587237 -2.289188 -0.525392
H 4.170861 -0.111205 -1.877729
H 4.619924 -1.843749 -1.812563
H 5.536042 -1.577315 0.388106
H 4.006369 1.150579 0.474989


%chk=000297720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297720

0 1
Br 6.123698 0.437304 2.416606
O 2.138174 0.943332 -0.869455
N 0.460729 -0.695338 -0.521188
N -3.043119 1.674373 0.189956
N 2.676416 -1.323173 -0.967102
C -1.940157 -0.560872 -0.020331
C -0.678320 0.107785 -0.288027
C -3.093364 0.284891 0.208850
C -0.647127 1.508468 -0.302571
C -1.847624 2.253409 -0.057477
C -2.113966 -1.981662 0.031348
C -4.362772 -0.322077 0.472746
C -3.365939 -2.548132 0.292148
C -4.501732 -1.711138 0.513934
C -1.799344 3.766972 -0.074050
C 1.777655 -0.267906 -0.784380
C 4.110389 -1.029839 -1.158423
C 4.877499 -0.935735 0.158363
C 5.177352 0.259155 0.712045
H 0.290630 2.028289 -0.501078
H -1.270941 -2.667956 -0.127319
H 0.297256 -1.702546 -0.512538
H -5.208893 0.351399 0.639636
H -3.476383 -3.637352 0.327964
H -5.478601 -2.162883 0.717164
H -1.088229 4.149901 0.681742
H -1.460180 4.143163 -1.057504
H -2.800415 4.172209 0.138084
H 2.398850 -2.289517 -0.789464
H 4.172531 -0.073222 -1.701838
H 4.545388 -1.820293 -1.796076
H 5.157324 -1.871033 0.659765
H 4.905014 1.228726 0.286570


