%chk=000221910.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221910

0 1
Br 6.019140 0.631414 -1.271807
O 1.171730 -0.928612 -0.236097
O 2.102835 0.255704 1.459125
C -1.146972 -0.231691 -0.208256
C -2.539125 -0.631186 0.320131
C -0.870126 1.278194 -0.062754
C -3.666308 -0.115645 -0.583893
C -0.084050 -1.083549 0.502030
C -5.045849 -0.527364 -0.050567
C -0.771673 1.770253 1.377467
C -6.171582 -0.015791 -0.946434
C 2.181556 -0.203821 0.344043
C 3.327656 -0.129717 -0.632138
C 4.546302 0.495397 0.021217
H -1.094492 -0.475399 -1.301488
H -2.611018 -1.733164 0.402138
H -2.674141 -0.241117 1.348649
H 0.070657 1.518962 -0.597364
H -1.669166 1.837565 -0.590604
H -3.532771 -0.499095 -1.613691
H -3.610220 0.988120 -0.663866
H 0.062775 -0.803635 1.560633
H -0.273800 -2.167388 0.412917
H -5.182750 -0.140511 0.978356
H -5.105630 -1.630361 0.030667
H -1.648437 1.483268 1.968156
H -0.691408 2.862119 1.417085
H 0.119315 1.364617 1.881992
H -7.152370 -0.313427 -0.558610
H -6.166081 1.077896 -1.017775
H -6.088802 -0.410630 -1.965439
H 3.552047 -1.148579 -1.026599
H 3.004807 0.447182 -1.530616
H 4.913761 -0.104317 0.874826
H 4.338294 1.516806 0.393563


%chk=000221910-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221910

0 1
Br 6.291201 0.660006 -0.968536
O 1.261230 -0.926115 -0.348235
O 2.167288 0.162868 1.516079
C -1.150566 -0.283736 -0.358059
C -2.530929 -0.707050 0.221205
C -0.877405 1.245097 -0.282309
C -3.739555 -0.046313 -0.479455
C -0.057081 -1.115665 0.339068
C -5.094932 -0.602447 0.014739
C -0.920640 1.864397 1.133440
C -6.304377 0.066333 -0.673332
C 2.273204 -0.270481 0.343872
C 3.519106 -0.162971 -0.529296
C 4.656139 0.532090 0.224384
H -1.139217 -0.566787 -1.432469
H -2.630906 -1.809593 0.130048
H -2.570597 -0.482525 1.306993
H 0.113513 1.445112 -0.736269
H -1.611719 1.762109 -0.929615
H -3.659302 -0.199989 -1.576172
H -3.720408 1.049706 -0.315237
H 0.059327 -0.847164 1.403794
H -0.264670 -2.195372 0.243273
H -5.167496 -0.462119 1.112731
H -5.126011 -1.697270 -0.160934
H -1.910706 1.737177 1.608872
H -0.718296 2.949844 1.081098
H -0.156328 1.420189 1.795777
H -7.260686 -0.345854 -0.302480
H -6.312235 1.157188 -0.488617
H -6.272220 -0.087369 -1.768590
H 3.816274 -1.177112 -0.851789
H 3.258621 0.387938 -1.451416
H 4.982201 -0.028544 1.111205
H 4.412282 1.566921 0.501228


