%chk=000289667.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289667

0 1
Br 2.759611 -2.315881 1.428759
O -1.029145 2.740923 -1.110718
O -2.433901 1.838101 0.255690
O 3.630296 1.631008 -0.420583
N -2.104879 -1.146237 -0.072187
N -1.376519 1.839361 -0.364699
C -0.873329 -0.611846 0.175644
C -0.465086 0.718601 -0.176685
C 0.152239 -1.466023 0.733158
C 0.908667 1.033237 -0.253487
C 1.896272 0.139080 0.150470
C 1.469839 -1.093779 0.697140
C -2.531753 -2.442784 0.508210
C -3.160241 -0.467602 -0.853877
C 3.318150 0.540888 0.011632
H -0.144340 -2.423010 1.169775
H 1.211097 2.030020 -0.626259
H -1.848873 -2.794022 1.305097
H -2.564464 -3.220434 -0.276963
H -3.536315 -2.352576 0.960842
H -2.736487 0.043479 -1.737174
H -3.702288 0.288810 -0.241561
H -3.900066 -1.195173 -1.228335
H 4.078415 -0.195842 0.311711


%chk=000289667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289667

0 1
Br 2.796925 -2.502516 1.165017
O -1.041191 2.825231 -1.104322
O -2.470870 1.824983 0.368849
O 3.694401 1.724196 -0.339408
N -2.174026 -1.099774 0.014022
N -1.384847 1.838273 -0.342229
C -0.881219 -0.631339 0.145091
C -0.449341 0.706068 -0.201499
C 0.155206 -1.527247 0.583502
C 0.912871 1.041452 -0.257485
C 1.929239 0.133111 0.118722
C 1.497943 -1.149372 0.570008
C -2.585235 -2.354395 0.673215
C -3.161801 -0.508534 -0.907714
C 3.343047 0.580241 0.061130
H -0.103999 -2.546095 0.875009
H 1.212237 2.054122 -0.550666
H -2.163502 -2.420626 1.689891
H -2.281485 -3.251571 0.095929
H -3.682883 -2.358749 0.766473
H -2.656343 0.050331 -1.712601
H -3.848368 0.183507 -0.388045
H -3.738332 -1.327164 -1.373937
H 4.098474 -0.165834 0.396647


