%chk=000096734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000096734

0 1
Br 3.666965 2.490427 0.803653
O -4.122525 1.405056 -0.052491
O -3.864708 -0.803532 -0.280520
N 0.137774 -2.256245 -0.461848
C 0.452315 -0.082994 0.199756
C -0.962971 -0.370544 0.201524
C 1.121061 -1.284640 -0.221415
C -1.123611 -1.690026 -0.200519
C -2.019494 0.592366 0.594579
C 1.216405 1.057568 0.509947
C 2.525263 -1.357063 -0.334903
C 2.590597 0.962005 0.391186
C 3.251530 -0.222145 -0.024494
C -3.373276 0.251910 0.042753
H -2.043317 -2.248036 -0.324465
H -1.737729 1.628907 0.282728
H -2.092553 0.641415 1.710322
H 0.301974 -3.193062 -0.775785
H 0.725460 1.975245 0.830935
H 3.013087 -2.273013 -0.654945
H 4.340543 -0.232284 -0.098261
H -5.040189 1.242085 -0.399336


%chk=000096734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096734

0 1
Br 3.721724 2.497943 0.966390
O -4.310736 1.337617 0.442327
O -3.904757 -0.840709 -0.235986
N 0.161589 -2.253737 -0.529713
C 0.469244 -0.089118 0.116308
C -0.957942 -0.335794 0.005394
C 1.148707 -1.312241 -0.225063
C -1.104249 -1.666038 -0.390949
C -2.012057 0.703035 0.285612
C 1.232713 1.054972 0.473788
C 2.555920 -1.417940 -0.217249
C 2.630220 0.931148 0.475530
C 3.302618 -0.276151 0.139049
C -3.456542 0.269724 0.122303
H -2.019312 -2.220031 -0.580762
H -1.871667 1.590816 -0.365222
H -1.912447 1.096200 1.318100
H 0.328329 -3.216815 -0.811842
H 0.753032 2.001658 0.739345
H 3.068705 -2.350024 -0.477258
H 4.395185 -0.315739 0.157664
H -5.255675 1.044624 0.330635


