%chk=000229136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229136

0 1
Br 5.980503 0.564874 1.969120
O 4.735073 -0.014489 -0.888947
O 3.787728 -1.462112 0.573995
C -3.890770 -0.029078 -0.423277
C -2.550828 0.736289 -0.452497
C -4.155046 -0.644023 0.967810
C -5.587061 -1.185337 1.059609
C -1.342013 -0.198764 -0.322956
C -5.021468 0.878961 -0.842696
C -6.612844 -0.061956 0.843277
C -0.022107 0.580182 -0.408913
C -6.237970 0.846407 -0.290351
C 1.183188 -0.357157 -0.270241
C 2.501876 0.418274 -0.362969
C 3.675702 -0.482742 -0.118234
C 6.045981 -0.592452 -0.659258
C 6.830310 0.372541 0.211556
H -3.844835 -0.861678 -1.173288
H -2.474551 1.309454 -1.397218
H -2.536508 1.492601 0.355530
H -3.428585 -1.451494 1.169287
H -3.993836 0.119756 1.752212
H -1.376968 -0.971697 -1.115133
H -1.391044 -0.749332 0.637026
H -5.737546 -1.977485 0.301041
H -5.750866 -1.664334 2.041998
H -4.789300 1.561004 -1.658754
H -7.615165 -0.499113 0.664704
H -6.706692 0.545922 1.768088
H 0.030457 1.126783 -1.370458
H 0.007432 1.355498 0.381446
H -7.036230 1.503814 -0.632353
H 1.150707 -1.140112 -1.053893
H 1.138398 -0.901785 0.696666
H 2.531499 1.238026 0.390368
H 2.598643 0.924189 -1.348399
H 6.467374 -0.668185 -1.679891
H 5.942116 -1.600555 -0.207527
H 6.862920 1.384215 -0.234122
H 7.864625 0.025890 0.380040


%chk=000229136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229136

0 1
Br 6.745015 1.276437 1.904773
O 4.880761 0.083662 -0.630772
O 3.705474 -1.638728 0.426955
C -3.996089 0.003515 -0.470337
C -2.624176 0.736401 -0.468174
C -4.253874 -0.781463 0.843021
C -5.721269 -1.258720 0.940604
C -1.405036 -0.206174 -0.352950
C -5.127102 0.988992 -0.737338
C -6.695993 -0.057086 0.956613
C -0.054763 0.533919 -0.481280
C -6.322866 0.978453 -0.090567
C 1.158836 -0.406896 -0.316056
C 2.500698 0.337409 -0.464083
C 3.703855 -0.536733 -0.161523
C 6.166805 -0.579207 -0.313136
C 7.174777 0.484231 0.089738
H -3.969681 -0.728479 -1.311166
H -2.533848 1.325708 -1.405311
H -2.608983 1.469276 0.364992
H -3.568957 -1.647514 0.912851
H -4.027497 -0.118580 1.704421
H -1.471540 -0.987784 -1.139198
H -1.430840 -0.737985 0.618849
H -5.951039 -1.900977 0.066774
H -5.866582 -1.879721 1.845287
H -4.934541 1.757393 -1.501909
H -7.735286 -0.403398 0.785824
H -6.698463 0.417574 1.961445
H -0.005961 1.040195 -1.468342
H -0.004363 1.337455 0.283438
H -7.071890 1.747817 -0.327637
H 1.104073 -1.222110 -1.064090
H 1.123432 -0.896888 0.675241
H 2.541411 1.198213 0.235026
H 2.620981 0.767709 -1.475580
H 6.517485 -1.078489 -1.238406
H 6.008259 -1.341079 0.469513
H 7.176250 1.337606 -0.604259
H 8.184825 0.056845 0.189147


