%chk=000280319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280319

0 1
Br 4.475275 -3.452992 1.540677
O 0.993333 2.730869 -1.300614
O -0.374000 1.240153 0.964281
O 4.125421 1.694547 1.274206
O -4.053451 -0.817412 -2.292576
N 2.391326 1.243549 -0.149887
C 0.625652 0.276883 -1.531096
C 1.455408 -0.792528 -0.845868
C 1.275293 1.602456 -1.001509
C -0.824808 0.166282 -1.112564
C 2.479030 -0.190015 -0.057688
C 0.838464 0.264019 -3.044918
C 1.342532 -2.169973 -0.912341
C -1.160781 0.602351 0.297396
C -1.779319 -0.323412 -1.911664
C 3.388542 -0.960382 0.660155
C -2.506518 0.220867 0.818182
C 3.217717 2.152305 0.620156
C 2.253611 -2.963348 -0.191446
C -3.495471 -0.299141 -0.039055
C -3.202259 -0.503107 -1.490228
C 3.247486 -2.352191 0.571190
C -2.788169 0.404817 2.174772
C 2.859097 3.591958 0.518163
C -4.755885 -0.626151 0.464863
C -4.052796 0.066784 2.679063
C -5.032347 -0.444622 1.828379
H 1.903706 0.358142 -3.301588
H 0.491903 -0.673545 -3.497259
H 0.309988 1.095947 -3.532718
H 0.562944 -2.639966 -1.510669
H -1.589745 -0.632877 -2.945675
H 4.173999 -0.490030 1.265734
H 2.173145 -4.049997 -0.237090
H -2.018039 0.816283 2.835267
H 3.545701 4.212301 1.114178
H 1.829801 3.787167 0.871794
H 2.876649 3.962227 -0.522636
H -5.521294 -1.020606 -0.210902
H -4.266312 0.209176 3.739566
H -6.017726 -0.703792 2.218670


%chk=000280319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280319

0 1
Br 4.821031 -3.424634 1.392226
O 0.770195 2.715027 -1.103897
O -0.283036 0.743620 1.199170
O 4.314169 1.770323 1.098673
O -4.113235 -0.882097 -2.357376
N 2.412670 1.250984 -0.139202
C 0.615318 0.243498 -1.427096
C 1.507396 -0.805986 -0.772003
C 1.209698 1.571578 -0.860993
C -0.852260 0.078169 -1.036888
C 2.564447 -0.177896 -0.066854
C 0.834468 0.275829 -2.966872
C 1.421308 -2.203291 -0.832074
C -1.189495 0.333043 0.406033
C -1.839340 -0.297657 -1.909069
C 3.565205 -0.929614 0.581398
C -2.590670 0.110039 0.860865
C 3.290344 2.189925 0.497122
C 2.407320 -2.988487 -0.184416
C -3.595821 -0.302658 -0.060835
C -3.248514 -0.517477 -1.496985
C 3.452791 -2.335664 0.501439
C -2.926219 0.316883 2.221206
C 2.938315 3.658943 0.415775
C -4.923183 -0.503616 0.384913
C -4.250963 0.112578 2.660026
C -5.250302 -0.297607 1.741872
H 1.905450 0.416172 -3.191723
H 0.522053 -0.676259 -3.429804
H 0.268851 1.108749 -3.419293
H 0.601104 -2.693015 -1.368191
H -1.642482 -0.463110 -2.973154
H 4.377565 -0.438985 1.115912
H 2.360328 -4.080093 -0.215360
H -2.138814 0.635501 2.911396
H 3.713851 4.213312 0.964807
H 1.944148 3.857692 0.851198
H 2.885499 4.008631 -0.629190
H -5.675829 -0.817666 -0.345218
H -4.508461 0.271768 3.712269
H -6.277798 -0.453456 2.086893


