%chk=000231673.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231673

0 1
Br -5.286448 -3.150751 0.602212
Br 5.596557 -2.363832 -1.481229
Br 5.589585 -2.019384 1.696132
O 5.433371 0.583999 -0.653729
O -6.352355 -0.299963 0.831522
C 1.125578 1.334898 0.480669
C 2.035237 0.178420 -0.044058
C -0.253768 1.291692 -0.191184
C -0.929705 -0.056116 0.192187
C -2.343760 -0.190744 -0.462095
C 3.396168 0.538095 0.639736
C 1.396387 -1.142184 0.422854
C -0.028879 -1.266653 -0.141928
C 2.001686 2.587668 0.327509
C -1.133035 2.463546 0.270859
C 3.430671 2.091110 0.644913
C -3.180457 1.052571 -0.155243
C 2.214032 0.181829 -1.568411
C -2.523645 2.388273 -0.364400
C -3.027603 -1.449634 0.143362
C -2.263567 -0.319357 -1.992743
C 4.598391 -0.052713 -0.069888
C -4.517763 -1.507946 -0.162137
C -4.469339 0.985386 0.216507
C -5.236738 -0.265012 0.372414
C 4.682059 -1.586660 0.035329
H 0.966377 1.180773 1.580290
H -0.133615 1.343020 -1.300300
H -1.083188 -0.045621 1.301928
H 3.393413 0.171203 1.694430
H 1.369541 -1.191123 1.528151
H 2.008169 -2.010563 0.099376
H 0.025246 -1.404313 -1.240067
H -0.489181 -2.192735 0.254810
H 1.691755 3.394382 1.009722
H 1.943133 3.002000 -0.693126
H -0.654075 3.425906 0.006062
H -1.223670 2.467843 1.374987
H 4.155394 2.470802 -0.101474
H 3.776558 2.463270 1.622783
H 2.751448 -0.703130 -1.925729
H 1.248410 0.201812 -2.088745
H 2.773936 1.062586 -1.909228
H -2.455753 2.579450 -1.458395
H -3.155193 3.210950 0.032710
H -2.872894 -1.462112 1.243815
H -2.526431 -2.363892 -0.235663
H -1.807396 -1.269569 -2.294159
H -3.255932 -0.276168 -2.456412
H -1.660868 0.483990 -2.433444
H -4.706727 -1.580127 -1.259852
H -5.054336 1.881729 0.439318
H 3.665720 -2.058500 0.076151


%chk=000231673-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231673

0 1
Br -5.309225 -3.273407 0.607571
Br 5.888678 -2.823570 -0.519489
Br 5.912236 -1.231149 2.410080
O 5.355271 0.273771 -0.853261
O -6.368848 -0.354185 1.200462
C 1.147936 1.301301 0.334436
C 2.059088 0.161454 -0.229851
C -0.272351 1.311297 -0.271305
C -0.942867 -0.073147 0.007529
C -2.428741 -0.169388 -0.536925
C 3.381624 0.494729 0.584036
C 1.393720 -1.194305 0.105918
C -0.051975 -1.259659 -0.458955
C 2.026883 2.571444 0.235584
C -1.127991 2.450850 0.325843
C 3.474205 2.056064 0.541684
C -3.221296 1.050707 -0.040525
C 2.321628 0.285226 -1.753820
C -2.577606 2.411990 -0.215900
C -3.067747 -1.482457 0.027278
C -2.474098 -0.184366 -2.099071
C 4.623413 -0.202947 0.043928
C -4.597543 -1.508680 -0.089933
C -4.473799 0.943707 0.508544
C -5.246848 -0.312004 0.624889
C 4.901385 -1.584469 0.679784
H 1.021527 1.078936 1.420158
H -0.196926 1.477270 -1.366763
H -1.025195 -0.145237 1.117183
H 3.208707 0.154370 1.624851
H 1.358313 -1.324694 1.208749
H 1.974040 -2.042711 -0.310416
H -0.004294 -1.286311 -1.563747
H -0.504431 -2.216696 -0.141056
H 1.711359 3.355281 0.945900
H 1.970093 3.007978 -0.779344
H -0.675118 3.432058 0.090636
H -1.143951 2.356176 1.431285
H 4.192260 2.366245 -0.236249
H 3.850769 2.438228 1.506603
H 2.893225 -0.586628 -2.121754
H 1.381397 0.328710 -2.328434
H 2.911628 1.183261 -2.001929
H -2.548610 2.656005 -1.299505
H -3.197151 3.189487 0.266107
H -2.799251 -1.584847 1.096822
H -2.655293 -2.358766 -0.501584
H -2.012707 -1.105218 -2.496227
H -3.515693 -0.145315 -2.465173
H -1.939327 0.677870 -2.533600
H -4.925519 -1.509645 -1.145422
H -4.998234 1.836576 0.872685
H 3.985755 -2.102789 0.998790


