%chk=000206090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206090

0 1
Br 3.064131 3.645630 -0.339546
O -4.537608 -1.462392 -1.341303
O -1.785742 2.483393 1.481357
O 4.097361 0.719283 -0.758104
N -2.255797 -0.895565 0.291561
C -1.550127 -0.196596 1.421024
C -0.420940 0.669289 0.932681
C 0.775664 0.186299 0.437404
C -2.711837 0.071237 -0.760844
C -3.437840 -1.648415 0.835468
C 1.836240 1.087198 0.063338
C 1.255426 -1.197176 0.201546
C -3.430372 -0.705570 -1.874174
C -4.119699 -2.392863 -0.323532
C -0.557864 2.097968 1.006933
C 2.603670 -1.135181 -0.270339
C 3.033197 0.302248 -0.387061
C 1.666466 2.448430 0.160367
C 0.453479 2.980682 0.632474
C 0.630466 -2.422334 0.344253
C 3.318371 -2.276765 -0.566412
C 1.363346 -3.592052 0.042472
C 2.680166 -3.525615 -0.398282
C -2.045938 3.901720 1.647266
H -1.138377 -0.990905 2.089059
H -2.244814 0.412740 2.049871
H -1.814283 0.575587 -1.181774
H -3.374865 0.865949 -0.356244
H -4.176999 -0.988284 1.339451
H -3.076141 -2.377345 1.590257
H -3.928171 -0.035273 -2.596252
H -2.745849 -1.395555 -2.398957
H -3.451475 -3.146533 -0.776354
H -5.073369 -2.857199 -0.017875
H 0.323357 4.057972 0.699877
H -0.412206 -2.497976 0.656354
H 4.347020 -2.217948 -0.923839
H 0.876410 -4.560980 0.156301
H 3.229613 -4.438595 -0.624279
H -2.000512 4.411062 0.680007
H -1.349638 4.333481 2.372448
H -3.071323 3.892646 2.040902


%chk=000206090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206090

0 1
Br 3.173521 3.738877 -0.170570
O -4.637414 -1.601670 -1.300334
O -1.797037 2.597690 1.450762
O 4.249623 0.671889 -0.601051
N -2.305073 -0.879623 0.274238
C -1.567687 -0.181642 1.369575
C -0.432702 0.709392 0.888444
C 0.796499 0.219707 0.405874
C -2.871719 0.053259 -0.737748
C -3.380872 -1.742200 0.834561
C 1.898038 1.097839 0.099280
C 1.252150 -1.181890 0.162344
C -3.566275 -0.749419 -1.847902
C -4.072623 -2.518188 -0.298234
C -0.556746 2.138679 0.996756
C 2.626999 -1.150146 -0.213158
C 3.095086 0.273790 -0.284402
C 1.733141 2.480726 0.231183
C 0.501918 3.017824 0.667012
C 0.572703 -2.415361 0.210731
C 3.351054 -2.317592 -0.495930
C 1.302411 -3.601819 -0.066954
C 2.676587 -3.561455 -0.406456
C -1.995594 4.044618 1.601352
H -1.147269 -0.967950 2.027729
H -2.261354 0.432521 1.985179
H -2.050872 0.650745 -1.174440
H -3.603287 0.758946 -0.273237
H -4.144296 -1.135647 1.383344
H -2.933953 -2.455613 1.554979
H -4.063120 -0.081478 -2.570474
H -2.818651 -1.381484 -2.373900
H -3.340850 -3.200218 -0.783835
H -4.926125 -3.102328 0.083877
H 0.387796 4.100050 0.753652
H -0.505387 -2.445258 0.389669
H 4.405541 -2.253996 -0.783714
H 0.786648 -4.568200 -0.031075
H 3.212219 -4.493334 -0.617381
H -1.891719 4.564175 0.630218
H -1.284242 4.469707 2.334172
H -3.024471 4.151774 1.973365


