%chk=000292992.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292992

0 1
Br -4.345593 1.754905 -0.572515
O 0.672533 -2.472940 -0.533830
O 0.284812 3.684222 1.039631
O -3.280683 -1.210046 -0.803575
O 1.126646 -5.147417 2.795358
O 2.658105 5.813091 -1.831352
O -1.344296 -5.684994 4.065869
O 2.350090 -3.537113 0.484402
O 4.444271 4.103918 -3.211621
O 0.484198 5.790815 0.324170
C -0.778312 -2.276674 -0.398039
C 0.834460 2.351077 0.763833
C -1.043554 -0.810599 -0.197373
C -0.288611 1.437806 0.346821
C -1.159026 -3.134693 0.790618
C 1.866722 2.588806 -0.320700
C -0.031811 0.066158 0.194515
C 0.017579 -3.758502 1.298179
C 1.875001 3.977905 -0.639942
C -2.338097 -0.292052 -0.428862
C -1.574337 1.944151 0.122133
C 1.170662 -3.333704 0.479966
C 0.875032 4.667377 0.200079
C -2.394474 -3.344181 1.350032
C 2.703079 1.697080 -0.944831
C -2.599224 1.078510 -0.265040
C -0.053149 -4.609282 2.395697
C 2.737983 4.476972 -1.609290
C -1.357569 -4.824847 2.981317
C 3.614778 3.531319 -2.263100
C -2.487014 -4.208982 2.468231
C 3.591720 2.186679 -1.934266
C 1.143451 -6.049488 3.935974
C 3.526086 6.417920 -2.829259
C -2.604748 -5.933326 4.736568
C 5.340583 3.222173 -3.932938
H -1.207768 -2.647251 -1.358871
H 1.287913 2.035970 1.732605
H 0.972988 -0.336064 0.367171
H -1.764229 3.017541 0.259250
H -3.286161 -2.857983 0.952372
H 2.698363 0.633604 -0.709162
H -3.467020 -4.374631 2.912606
H 4.252605 1.475302 -2.428259
H -4.160416 -0.792144 -1.027637
H 0.529205 -6.931437 3.726306
H 0.799361 -5.525583 4.833770
H 2.210671 -6.299972 3.993332
H 3.222898 7.470958 -2.764333
H 3.315421 5.993686 -3.816464
H 4.575245 6.278303 -2.548509
H -3.007070 -5.003948 5.150248
H -2.295566 -6.618207 5.537208
H -3.309334 -6.419871 4.055866
H 4.771340 2.482466 -4.503677
H 6.049611 2.753079 -3.244455
H 5.850452 3.927636 -4.602025


%chk=000292992-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292992

0 1
Br -4.159290 1.662642 -1.159130
O 0.687090 -2.811434 -0.480457
O 0.495742 3.468725 1.136175
O -3.213200 -1.357190 -1.085704
O 1.007738 -5.375110 2.989013
O 2.784967 6.009821 -1.514249
O -1.556572 -5.669211 4.359054
O 2.304098 -4.054342 0.651243
O 4.414195 4.447543 -3.372353
O 0.833965 5.740817 0.722084
C -0.762839 -2.511533 -0.353398
C 1.002952 2.169999 0.627380
C -0.970198 -1.003075 -0.279823
C -0.148983 1.265327 0.209335
C -1.192794 -3.282396 0.890895
C 1.951320 2.559478 -0.505039
C 0.046670 -0.134072 0.161407
C -0.074957 -3.964375 1.423166
C 2.012349 3.968432 -0.592948
C -2.221445 -0.459767 -0.669495
C -1.394522 1.810909 -0.176862
C 1.121095 -3.691352 0.587360
C 1.113305 4.571976 0.423701
C -2.452579 -3.375664 1.491059
C 2.692306 1.746149 -1.368243
C -2.408141 0.942558 -0.610281
C -0.168766 -4.771995 2.587986
C 2.828559 4.629594 -1.549114
C -1.464561 -4.865919 3.205177
C 3.597514 3.791652 -2.430518
C -2.570979 -4.175768 2.652196
C 3.514484 2.381549 -2.328916
C 1.125041 -6.258860 4.166545
C 3.545923 6.886327 -2.427742
C -2.863713 -5.783740 5.008760
C 5.211177 3.617760 -4.278583
H -1.265451 -2.906384 -1.255162
H 1.563152 1.695421 1.456513
H 1.009069 -0.570581 0.448435
H -1.560150 2.889191 -0.115042
H -3.317093 -2.852294 1.075355
H 2.641663 0.654551 -1.320496
H -3.549021 -4.260348 3.134675
H 4.100821 1.759461 -3.011151
H -4.017120 -0.858067 -1.393645
H 0.485133 -7.149253 4.059418
H 0.863342 -5.723055 5.092782
H 2.188323 -6.542015 4.167471
H 3.255704 7.898791 -2.109344
H 3.259427 6.710837 -3.476966
H 4.630735 6.736120 -2.309145
H -3.226361 -4.798770 5.361267
H -2.695561 -6.446026 5.870671
H -3.612119 -6.237744 4.330667
H 4.565479 2.982823 -4.915535
H 5.925727 2.983120 -3.719551
H 5.763151 4.332264 -4.906698


