%chk=000297512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297512

0 1
Br 5.325385 3.581151 0.115654
Br -5.335695 3.567842 -0.051217
Si 0.000219 -0.291115 -0.002273
C 1.518212 0.809187 0.062125
C -1.520933 0.805795 -0.047122
C 0.054727 -1.356790 -1.537572
C -0.050989 -1.384017 1.513877
C 1.577562 1.957318 -0.747303
C -2.611582 0.512458 -0.879841
C 2.609807 0.503829 0.889274
C -1.583524 1.938982 0.782875
C -0.753329 -2.506335 -1.604239
C 0.758571 -2.533535 1.559133
C 0.866218 -1.034209 -2.636237
C -0.861339 -1.081903 2.619195
C 2.705348 2.785603 -0.736698
C -3.750005 1.329486 -0.886755
C 3.745985 1.323717 0.910806
C -2.713573 2.764229 0.787043
C -0.751829 -3.311480 -2.747457
C 0.759655 -3.358749 2.687960
C 0.868141 -1.840814 -3.780940
C -0.860669 -1.908587 3.749475
C 3.776289 2.453832 0.094822
C -3.783512 2.444588 -0.050500
C 0.058999 -2.978500 -3.837742
C -0.050050 -3.046092 3.785066
H 0.738811 2.225908 -1.397422
H -2.591586 -0.358403 -1.542338
H 2.592301 -0.378927 1.535916
H -0.745575 2.198128 1.437845
H -1.389378 -2.789591 -0.760607
H 1.393822 -2.801041 0.709777
H 1.511400 -0.152357 -2.614597
H -1.507667 -0.200646 2.614008
H 2.740004 3.673597 -1.367830
H -4.590614 1.090942 -1.538338
H 4.587360 1.075752 1.557867
H -2.750733 3.640592 1.434089
H -1.380176 -4.198978 -2.788807
H 1.389152 -4.246049 2.712755
H 1.501995 -1.580900 -4.626580
H -1.493660 -1.664446 4.600445
H 0.060204 -3.605633 -4.727688
H -0.049249 -3.688839 4.663800


%chk=000297512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297512

0 1
Br 5.448965 3.636953 0.125662
Br -5.459980 3.618605 -0.060918
Si 0.001801 -0.291927 -0.001989
C 1.546216 0.838050 0.068152
C -1.546678 0.833856 -0.051926
C 0.056956 -1.391066 -1.565975
C -0.051157 -1.419292 1.541898
C 1.620226 2.011761 -0.731795
C -2.662165 0.527837 -0.876528
C 2.662191 0.522777 0.888601
C -1.624475 1.993986 0.767219
C -0.754028 -2.558234 -1.647024
C 0.758863 -2.588414 1.601222
C 0.868240 -1.059236 -2.685054
C -0.861452 -1.107074 2.667336
C 2.763701 2.843281 -0.723555
C -3.819526 1.340999 -0.887899
C 3.816452 1.340079 0.914215
C -2.771126 2.821172 0.773465
C -0.759442 -3.362854 -2.808942
C 0.763847 -3.414204 2.748209
C 0.867844 -1.862530 -3.848784
C -0.861432 -1.931485 3.816139
C 3.850877 2.491054 0.101820
C -3.857641 2.478416 -0.056755
C 0.051207 -3.014936 -3.914594
C -0.046051 -3.085817 3.860370
H 0.771241 2.299413 -1.364520
H -2.633453 -0.348983 -1.534176
H 2.636282 -0.364746 1.531871
H -0.776071 2.274439 1.403941
H -1.374522 -2.851296 -0.790250
H 1.378706 -2.866334 0.738963
H 1.516899 -0.175593 -2.646204
H -1.509303 -0.222281 2.644897
H 2.802026 3.743739 -1.343406
H -4.667610 1.091959 -1.532361
H 4.665007 1.083764 1.555192
H -2.812329 3.711208 1.408009
H -1.389510 -4.258722 -2.849644
H 1.393017 -4.311308 2.772232
H 1.504709 -1.591499 -4.698573
H -1.497644 -1.675437 4.671046
H 0.050741 -3.638841 -4.815741
H -0.045920 -3.726236 4.749860


