%chk=000291108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291108

0 1
Br 7.681945 -0.530433 -0.857832
O -0.473326 0.362591 1.464853
O -1.328514 -1.667547 0.624201
O 0.782873 0.603656 -0.944105
C -2.826125 0.317155 0.922316
C -3.988906 -0.598305 1.381712
C -2.941167 0.904210 -0.533864
C -5.372053 0.072495 1.545553
C -3.427503 -0.086509 -1.629411
C -6.061101 0.621423 0.264688
C -4.920294 0.041808 -2.033932
C -6.003232 -0.313485 -0.979045
C -1.521234 -0.461771 0.977649
C 0.877354 -0.194574 1.359026
C 1.506420 0.179239 0.003740
C 2.986157 -0.001374 -0.156865
C 3.805371 -0.575779 0.852180
C 3.584799 0.408732 -1.379080
C 5.192205 -0.736604 0.650285
C 4.967697 0.259198 -1.593838
C 5.757481 -0.313944 -0.571679
H -2.723397 1.174350 1.614543
H -3.710132 -1.035582 2.362260
H -4.063156 -1.455787 0.688808
H -1.941700 1.293480 -0.805405
H -3.612156 1.781306 -0.498700
H -5.301827 0.888778 2.294271
H -6.043015 -0.691827 1.989287
H -3.199088 -1.128144 -1.329652
H -2.827169 0.092563 -2.543021
H -5.640795 1.608717 -0.005551
H -7.120743 0.815078 0.525934
H -5.085773 -0.603889 -2.921280
H -5.100277 1.083542 -2.375500
H -5.876970 -1.366236 -0.653554
H -6.982542 -0.275624 -1.496845
H 1.446139 0.223387 2.204866
H 0.832369 -1.300361 1.439359
H 3.376171 -0.913664 1.801096
H 2.941772 0.842473 -2.151813
H 5.819947 -1.182465 1.426599
H 5.424297 0.578825 -2.534556


%chk=000291108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291108

0 1
Br 7.578400 -0.759284 -0.975548
O -0.492421 0.472743 1.533683
O -1.246810 -1.565902 0.684025
O 0.749857 0.731605 -0.878801
C -2.832441 0.331173 0.966169
C -3.968437 -0.644059 1.362458
C -2.937393 0.968237 -0.469475
C -5.378253 -0.027943 1.516357
C -3.352897 -0.001251 -1.611947
C -6.063970 0.529719 0.236731
C -4.839890 0.080854 -2.049406
C -5.930622 -0.358806 -1.034637
C -1.496446 -0.390175 1.030386
C 0.879435 -0.026836 1.435828
C 1.475064 0.276980 0.047598
C 2.935636 0.009471 -0.155927
C 3.759998 -0.562543 0.850387
C 3.512309 0.344176 -1.411153
C 5.131047 -0.793881 0.613335
C 4.879236 0.121866 -1.662060
C 5.675003 -0.446054 -0.641605
H -2.783216 1.165413 1.692034
H -3.696632 -1.106348 2.333333
H -3.995586 -1.478744 0.638877
H -1.950578 1.411336 -0.700531
H -3.649219 1.811571 -0.418685
H -5.350378 0.770870 2.286579
H -6.029470 -0.826261 1.928244
H -3.090351 -1.043045 -1.341948
H -2.737066 0.233700 -2.502155
H -5.686748 1.544598 0.008261
H -7.137795 0.661784 0.477325
H -4.957867 -0.535968 -2.964380
H -5.055477 1.127043 -2.355130
H -5.763734 -1.414904 -0.740063
H -6.897435 -0.349239 -1.576831
H 1.441567 0.492341 2.229802
H 0.899420 -1.121209 1.610823
H 3.347222 -0.840487 1.825697
H 2.865295 0.779888 -2.179462
H 5.763283 -1.236391 1.387899
H 5.319160 0.383066 -2.628389


