%chk=000258821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258821

0 1
Br 5.221581 0.847349 3.231272
O 0.781363 -0.095589 0.257896
N -0.099280 -0.658220 -1.731452
N 1.248550 -0.700354 -1.855654
C -2.881456 0.251526 -0.406164
C -1.654922 -0.105347 0.258769
C -4.048985 0.416366 0.390205
C -0.415470 -0.296290 -0.477983
C -1.624061 -0.279857 1.632330
C -2.985724 0.453210 -1.819554
C -3.982905 0.226504 1.805543
C -5.286670 0.773042 -0.236425
C -2.797907 -0.112692 2.410787
C -4.184622 0.795017 -2.393102
C 1.801720 -0.369474 -0.677250
C -5.352938 0.957609 -1.593368
C 3.181696 -0.254999 -0.236991
C 3.474337 0.172674 1.070452
C 4.218596 -0.574756 -1.131461
C 4.809845 0.270076 1.458959
C 5.547683 -0.467030 -0.715108
C 5.853295 -0.044380 0.582824
H -0.691781 -0.549053 2.135180
H -2.101209 0.325656 -2.450354
H -4.892106 0.356263 2.394004
H -6.170960 0.893456 0.388206
H -2.738925 -0.259152 3.489018
H -4.261083 0.945504 -3.470171
H -6.289484 1.228236 -2.079145
H 2.661793 0.422232 1.758475
H 3.980106 -0.905194 -2.147111
H 6.353945 -0.714395 -1.407487
H 6.894280 0.037361 0.901959


%chk=000258821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258821

0 1
Br 5.401565 -0.280814 3.434886
O 0.820297 0.011200 0.349114
N -0.084749 0.052907 -1.742168
N 1.337227 -0.056684 -1.869857
C -2.917000 0.297424 -0.421588
C -1.647465 0.197962 0.278378
C -4.127232 0.398227 0.374278
C -0.374230 0.092094 -0.429520
C -1.618797 0.201295 1.688428
C -3.039937 0.301994 -1.851274
C -4.048002 0.397222 1.804803
C -5.398534 0.498689 -0.282479
C -2.814071 0.300420 2.450743
C -4.295088 0.401504 -2.458740
C 1.838007 -0.080535 -0.628440
C -5.485911 0.500861 -1.674414
C 3.231654 -0.180853 -0.210923
C 3.573615 -0.182479 1.168592
C 4.248886 -0.275092 -1.199356
C 4.928795 -0.278239 1.530301
C 5.596946 -0.369662 -0.805291
C 5.953459 -0.372255 0.565420
H -0.656894 0.125204 2.203027
H -2.133801 0.225696 -2.458019
H -4.975124 0.473685 2.385027
H -6.302651 0.574295 0.333180
H -2.756622 0.299964 3.543798
H -4.367118 0.403165 -3.551894
H -6.460332 0.578163 -2.168663
H 2.791020 -0.109820 1.927893
H 3.965392 -0.272181 -2.256047
H 6.383945 -0.442222 -1.562624
H 7.001052 -0.445834 0.870528


