%chk=000222331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222331

0 1
Br 4.967620 0.373896 0.361621
O -1.801392 1.003215 0.250534
O 1.505709 1.060572 -0.080420
O 1.914446 -0.080215 1.837384
C -3.913996 0.027541 0.444873
C -2.985495 0.732754 -0.543506
C -5.241306 -0.358613 -0.216563
C -0.755115 1.684912 -0.477315
C 3.269461 -0.457766 -0.189900
C 0.384537 1.772768 0.532598
C 3.331206 -1.975811 -0.029935
C -6.171653 -1.061869 0.768624
C 2.188733 0.143629 0.687501
C 2.083305 -2.641868 -0.601222
H -3.404145 -0.867479 0.855515
H -4.087946 0.683942 1.321262
H -3.400777 1.686875 -0.908950
H -2.708019 0.091267 -1.396737
H -5.740423 0.544596 -0.620087
H -5.053192 -1.018248 -1.086724
H -0.464455 1.093262 -1.365929
H -1.120207 2.678196 -0.790155
H 3.117238 -0.166610 -1.258951
H 0.758671 2.796670 0.692903
H 0.109552 1.303128 1.502730
H 4.236923 -2.371422 -0.536003
H 3.444857 -2.240477 1.045323
H -5.723040 -1.981537 1.162392
H -6.409213 -0.422665 1.627161
H -7.119384 -1.336888 0.292176
H 2.144811 -3.733292 -0.502076
H 1.944594 -2.419163 -1.665286
H 1.172797 -2.326198 -0.073934


%chk=000222331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222331

0 1
Br 4.070818 0.235062 -2.028258
O -1.820548 0.921708 0.376745
O 1.096999 0.665252 -0.251306
O 2.789909 0.385506 1.331606
C -4.018492 -0.088405 0.220972
C -3.148695 1.087351 -0.231913
C -5.444348 -0.035031 -0.375253
C -0.905803 2.009023 0.032997
C 2.845163 -0.871294 -0.799262
C 0.453112 1.686051 0.626430
C 3.637901 -2.019224 -0.169251
C -6.322096 -1.216147 0.091937
C 2.281505 0.113473 0.220624
C 2.712823 -2.960741 0.642041
H -3.520505 -1.031778 -0.075185
H -4.071187 -0.087848 1.326871
H -3.596514 2.055834 0.090683
H -3.054798 1.105542 -1.341678
H -5.929961 0.920686 -0.089918
H -5.382274 -0.036085 -1.482690
H -0.824050 2.128875 -1.069296
H -1.270043 2.970685 0.461739
H 2.050653 -1.209204 -1.481832
H 1.109038 2.575389 0.652455
H 0.356287 1.277546 1.646972
H 4.142262 -2.584654 -0.973022
H 4.418196 -1.597558 0.488343
H -5.874231 -2.183462 -0.203591
H -6.428561 -1.218906 1.192954
H -7.335503 -1.164146 -0.346259
H 3.303010 -3.795617 1.059282
H 1.915194 -3.392190 0.009248
H 2.239442 -2.428591 1.485720


