%chk=000251468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251468

0 1
Br -5.734395 -2.515643 -0.798762
O 2.783861 2.587113 1.855886
N -0.682018 0.560727 0.827423
N 0.565688 -0.784193 -0.577879
N 4.211832 1.039376 0.295253
N 3.005943 -0.603094 -0.865226
N 1.759232 2.008289 1.558251
N 1.731950 -2.180747 -2.065517
C 0.565055 0.262958 0.317226
C -1.856571 -0.197345 0.422062
C 1.796073 0.950583 0.663554
C -0.932979 1.633382 1.820122
C 3.014115 0.452945 0.020958
C -2.313425 -0.130124 -0.905124
C -2.538751 -0.959685 1.385061
C 1.774071 -1.164288 -1.136558
C -3.468917 -0.825532 -1.266966
C -3.695822 -1.650859 1.017971
C -4.148537 -1.573040 -0.301289
C 5.471647 0.577461 -0.319537
H -0.364272 1.454290 2.752404
H -0.620122 2.617988 1.420085
H -2.004839 1.692290 2.068899
H -1.755956 0.440992 -1.649380
H -2.164150 -1.024065 2.406408
H -3.829912 -0.781055 -2.296151
H -4.230825 -2.247254 1.759163
H 4.255226 1.831688 0.963389
H 5.394068 0.565002 -1.424231
H 5.709595 -0.456750 -0.006053
H 6.298400 1.242042 -0.026737
H 2.589835 -2.569098 -2.424727
H 0.874200 -2.690654 -2.212976


%chk=000251468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251468

0 1
Br -5.812006 -2.447710 -0.955331
O 2.896945 2.744408 1.662347
N -0.663949 0.535646 0.886842
N 0.588470 -0.848640 -0.495151
N 4.207145 1.059855 0.222420
N 3.014178 -0.655137 -0.843339
N 1.755209 2.098315 1.429225
N 1.743813 -2.313783 -1.876471
C 0.573340 0.228152 0.343533
C -1.834191 -0.198329 0.433972
C 1.807614 0.964571 0.628147
C -0.903350 1.561383 1.935534
C 3.026698 0.430627 -0.015476
C -2.290402 -0.075969 -0.899140
C -2.561231 -0.988093 1.353698
C 1.785692 -1.227499 -1.040456
C -3.463824 -0.738942 -1.315161
C -3.739957 -1.655373 0.950833
C -4.176243 -1.522720 -0.382268
C 5.472850 0.624218 -0.372020
H -0.221300 1.425457 2.789569
H -0.729344 2.577129 1.546183
H -1.949583 1.462924 2.265206
H -1.724148 0.530344 -1.611681
H -2.200637 -1.098669 2.381892
H -3.817893 -0.641020 -2.345184
H -4.297570 -2.270744 1.662217
H 4.103023 1.896310 0.851024
H 5.429967 0.665506 -1.475583
H 5.703163 -0.419063 -0.091009
H 6.276410 1.286420 -0.012161
H 2.606620 -2.646753 -2.298837
H 0.853790 -2.779123 -2.036372


