%chk=000277840.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277840

0 1
Br -1.241312 -0.152380 -2.037304
Br 0.109753 -3.449430 -1.768953
O -1.295221 -1.442344 1.708598
O -1.940087 1.425818 0.639631
O 2.058164 0.562514 -0.718599
O -2.297899 -2.471368 -0.004554
O -0.119090 2.557434 -0.098864
O 2.269676 0.567889 1.540737
C 0.074119 0.188546 0.547850
C -0.387208 -0.917038 -0.443240
C -0.341941 -0.374377 1.939969
C -1.455733 -1.711417 0.355840
C 0.742803 -1.849118 -0.855652
C -0.628736 1.538665 0.288624
C 1.586483 0.463486 0.552188
C -2.815295 2.591841 0.426200
C 3.469638 0.942311 -0.905541
C -3.204671 2.676277 -1.030746
C 4.364186 -0.244289 -0.633056
H 0.501674 -0.820759 2.498952
H -0.878572 0.359628 2.569110
H 1.325623 -2.194860 0.021877
H 1.451999 -1.337767 -1.549133
H -3.656373 2.322552 1.093269
H -2.288980 3.492486 0.787952
H 3.444182 1.247961 -1.969202
H 3.683410 1.806922 -0.252107
H -2.337599 2.904972 -1.668681
H -3.629866 1.728174 -1.391210
H -3.953037 3.460592 -1.200505
H 4.341457 -0.531586 0.429653
H 4.075862 -1.125068 -1.220388
H 5.410391 -0.016569 -0.880216


%chk=000277840-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277840

0 1
Br -0.896282 -0.334990 -2.226434
Br 0.050594 -3.781029 -1.445364
O -1.499229 -1.331094 1.727912
O -1.984661 1.307221 0.499791
O 2.074050 0.644852 -0.698298
O -2.669979 -2.104217 -0.121893
O -0.050458 2.576763 0.192973
O 2.314960 0.468131 1.614026
C 0.101492 0.123549 0.588717
C -0.410383 -1.001404 -0.390812
C -0.311923 -0.476354 1.977939
C -1.681492 -1.540014 0.342674
C 0.665631 -2.101134 -0.530211
C -0.623976 1.482830 0.372662
C 1.614903 0.415701 0.576968
C -2.860598 2.519519 0.332882
C 3.495291 1.116345 -0.839381
C -3.176111 2.755883 -1.144053
C 4.452743 -0.070478 -0.959619
H 0.495759 -1.094484 2.402203
H -0.610789 0.290137 2.706441
H 1.012975 -2.434533 0.462781
H 1.504844 -1.729129 -1.132712
H -3.756073 2.257392 0.917120
H -2.340477 3.380925 0.787327
H 3.462940 1.724675 -1.756208
H 3.731571 1.748788 0.033147
H -2.266072 3.019834 -1.707747
H -3.628679 1.858326 -1.597250
H -3.893973 3.592178 -1.233143
H 4.477427 -0.659989 -0.027642
H 4.168750 -0.728126 -1.799549
H 5.475023 0.303624 -1.152748


