%chk=000197766.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197766

0 1
Br 1.006550 0.022552 2.282165
O 0.174967 2.488750 -0.193999
O -5.640557 -0.010458 -0.811281
O 6.130067 0.235740 0.408319
C -1.495461 -1.161267 0.443985
C -2.334188 0.100789 0.061734
C -0.095505 -1.093143 -0.175699
C 0.654881 0.173456 0.310753
C -3.735097 -0.284713 0.626546
C 2.022060 0.321566 -0.433512
C -2.416474 -2.331831 0.063205
C -1.663969 1.310589 0.732893
C -3.839325 -1.813058 0.375124
C 0.723757 -2.357758 0.110933
C -0.236785 1.438456 0.237353
C 2.828376 -0.970399 -0.279309
C -2.424605 0.343571 -1.451027
C 2.115084 -2.274011 -0.519330
C 2.820040 1.539948 0.102825
C 1.754771 0.533656 -1.938160
C -4.875879 0.491142 -0.019181
C 4.277911 1.541497 -0.348702
C 4.150108 -0.970068 -0.047086
C 4.969393 0.256981 0.058593
C -5.010260 1.925255 0.410590
H -1.386656 -1.190967 1.559884
H -0.202492 -0.999005 -1.293472
H -3.760056 -0.091994 1.724290
H -2.181920 -3.242046 0.637315
H -2.318251 -2.600149 -1.002199
H -1.677081 1.222698 1.838351
H -2.220824 2.247762 0.513637
H -4.529016 -2.020767 -0.467357
H -4.267537 -2.320201 1.254128
H 0.190659 -3.244983 -0.285546
H 0.810967 -2.538383 1.201715
H -2.930627 1.288230 -1.683803
H -1.440292 0.385587 -1.929983
H -2.993824 -0.451578 -1.952665
H 2.045398 -2.425771 -1.619823
H 2.727624 -3.125782 -0.151189
H 2.801887 1.579573 1.210096
H 2.324853 2.480356 -0.227369
H 1.245689 1.492208 -2.115791
H 2.696497 0.566917 -2.500395
H 1.142021 -0.262287 -2.374787
H 4.814115 2.413029 0.081273
H 4.361977 1.664324 -1.447427
H 4.720555 -1.892851 0.076620
H -5.459980 1.999783 1.409937
H -4.045172 2.450356 0.443532
H -5.670575 2.482000 -0.272205


%chk=000197766-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197766

0 1
Br 0.921909 0.191079 2.296150
O 0.169868 2.540703 -0.524110
O -5.632301 0.210806 -0.907645
O 6.290453 0.142357 0.478642
C -1.530042 -1.107986 0.355969
C -2.374333 0.138527 -0.063250
C -0.091881 -1.082540 -0.198496
C 0.667783 0.229373 0.187371
C -3.760516 -0.260762 0.590847
C 2.104316 0.334831 -0.469359
C -2.434956 -2.309650 -0.007548
C -1.690639 1.398097 0.530831
C -3.883060 -1.790470 0.287119
C 0.721347 -2.341499 0.172774
C -0.241930 1.491730 0.036244
C 2.874618 -0.978313 -0.207693
C -2.519672 0.298189 -1.599336
C 2.142936 -2.292280 -0.430234
C 2.914675 1.563538 0.058375
C 1.928586 0.486119 -2.026511
C -4.953920 0.564047 0.095488
C 4.413565 1.513124 -0.304980
C 4.208631 -0.989330 0.105145
C 5.067746 0.212197 0.146282
C -5.290360 1.831528 0.870583
H -1.453479 -1.079205 1.463764
H -0.159454 -1.057879 -1.307620
H -3.656628 -0.091852 1.682356
H -2.191206 -3.207852 0.585781
H -2.322744 -2.582427 -1.074144
H -1.697056 1.339785 1.635896
H -2.186895 2.335610 0.224067
H -4.553266 -1.936757 -0.577288
H -4.335368 -2.315975 1.146372
H 0.192187 -3.234730 -0.207593
H 0.774625 -2.433882 1.272958
H -3.120161 1.193156 -1.840303
H -1.540706 0.427620 -2.095455
H -3.030590 -0.564414 -2.058091
H 2.058587 -2.454651 -1.527084
H 2.754489 -3.126629 -0.042449
H 2.830855 1.601146 1.158523
H 2.461800 2.486469 -0.335387
H 1.355690 1.397291 -2.260840
H 2.924734 0.573895 -2.493016
H 1.429232 -0.382392 -2.488493
H 4.954794 2.360762 0.150813
H 4.561865 1.602112 -1.401128
H 4.721101 -1.941228 0.298476
H -5.754382 1.555515 1.838389
H -4.381887 2.413424 1.109299
H -6.001162 2.452973 0.304037


