%chk=000257897.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257897

0 1
Br 5.543618 -2.308542 -0.329614
O -1.360661 2.064018 -1.584103
O -4.501179 -1.179457 -0.417164
O 0.658470 2.357758 0.932192
C -0.797557 0.592297 0.291286
C -1.698334 1.064103 -0.687569
C 0.530606 1.216545 0.538085
C 1.727117 0.341027 0.317820
C -1.176042 -0.517718 1.063152
C -2.930681 0.446095 -0.907585
C -3.270831 -0.662343 -0.112937
C -2.403138 -1.150562 0.881132
C 1.691998 -0.726560 -0.589605
C 2.908840 0.629408 1.018384
C 2.828718 -1.516098 -0.788684
C 4.047737 -0.158381 0.832383
C 3.989603 -1.223055 -0.069878
C -1.351109 3.415972 -1.049362
C -4.973161 -2.320208 0.344230
H -0.489051 -0.894875 1.825831
H -3.607122 0.810250 -1.678847
H -2.671735 -2.000778 1.497963
H 0.778057 -0.940271 -1.149990
H 2.932029 1.480421 1.705992
H 2.801916 -2.344381 -1.498023
H 4.963921 0.064081 1.381115
H -2.380716 3.721679 -0.846310
H -0.917986 3.984427 -1.880640
H -0.722736 3.485776 -0.151143
H -4.310539 -3.177170 0.194040
H -5.956739 -2.498365 -0.111707
H -5.073013 -2.056491 1.400957


%chk=000257897-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257897

0 1
Br 5.844456 -2.414906 0.143034
O -1.405528 2.297864 -1.511759
O -4.686740 -0.969291 -0.292644
O 0.780285 2.349557 0.458965
C -0.718374 0.504257 0.038566
C -1.727168 1.175344 -0.727357
C 0.637848 1.103617 0.244888
C 1.850101 0.210507 0.233044
C -1.077627 -0.706460 0.687425
C -3.027136 0.647155 -0.818323
C -3.363135 -0.549023 -0.137987
C -2.382148 -1.235425 0.623339
C 1.877540 -1.034422 -0.449612
C 3.031452 0.670258 0.874020
C 3.055870 -1.811670 -0.486481
C 4.210934 -0.098883 0.858475
C 4.206389 -1.336238 0.176449
C -1.705468 3.617305 -0.911820
C -5.095125 -2.207674 0.380421
H -0.325158 -1.228437 1.288565
H -3.777674 1.144097 -1.439358
H -2.618396 -2.158150 1.159869
H 0.987373 -1.387070 -0.979965
H 3.006564 1.643509 1.374839
H 3.078663 -2.762936 -1.025438
H 5.115301 0.254637 1.361386
H -2.773923 3.682936 -0.625715
H -1.482467 4.350893 -1.701100
H -1.052052 3.778742 -0.037381
H -4.513000 -3.074360 0.012825
H -6.155982 -2.335883 0.121794
H -4.985377 -2.121248 1.478436


