%chk=000211391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211391

0 1
Br 5.622178 0.537175 0.593842
S -0.504679 -0.705239 -0.785110
N -3.079325 -0.223375 -0.080685
N -4.990338 -0.797830 -1.330780
N -5.303099 0.562293 0.624521
C 1.459317 0.372419 0.546789
C 1.214496 -0.478981 -0.559557
C -0.879693 0.334724 0.590279
C 0.233654 0.823198 1.186287
C -2.315104 0.540925 0.917967
C 2.783371 0.683613 0.901342
C 2.251840 -1.023327 -1.315427
C 3.805087 0.132661 0.137327
C 3.563898 -0.712210 -0.960831
C -4.373051 -0.123876 -0.221142
H 0.257684 1.478123 2.044669
H -2.526789 0.169301 1.953395
H -2.552563 1.632531 0.912605
H 2.987196 1.335950 1.749029
H 2.046532 -1.675929 -2.162748
H 4.396416 -1.122606 -1.532788
H -4.319545 -1.321843 -1.897156
H -5.762334 -1.404228 -1.065918
H -6.205997 0.775877 0.212492
H -4.932850 1.371055 1.108798


%chk=000211391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211391

0 1
Br 5.704680 0.799626 0.658199
S -0.438340 -0.946989 -0.847985
N -3.167336 -0.336724 -0.186100
N -5.207099 -0.676289 -1.286979
N -5.226791 0.623138 0.669519
C 1.479568 0.388483 0.496474
C 1.313131 -0.574686 -0.551486
C -0.886887 0.221356 0.473022
C 0.212113 0.818162 1.055047
C -2.352775 0.385764 0.803433
C 2.792130 0.800367 0.858162
C 2.418441 -1.122503 -1.232355
C 3.878596 0.242016 0.169529
C 3.719297 -0.711238 -0.868412
C -4.463731 -0.130866 -0.233775
H 0.133019 1.549747 1.864121
H -2.517510 -0.012236 1.833337
H -2.584952 1.477750 0.845009
H 2.944708 1.534485 1.654690
H 2.286314 -1.857411 -2.032947
H 4.593333 -1.122671 -1.380265
H -4.658925 -1.163215 -1.994250
H -6.161799 -0.991633 -1.123928
H -6.123546 1.014062 0.390358
H -4.809338 0.951907 1.534782


