%chk=000236845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236845

0 1
Br 5.752376 -2.656346 -3.426085
Br -5.739803 2.711212 -3.400408
O -0.417010 2.124752 1.026328
O 0.415298 -2.142069 0.993124
O 0.737558 1.701564 -1.413144
O -0.730833 -1.678857 -1.443178
N 0.595746 1.189040 2.871526
N -0.604135 -1.236945 2.849876
N 1.496873 0.879583 0.615207
N -1.497855 -0.891271 0.595902
C 1.463957 0.101362 3.404178
C -0.733608 1.198594 3.549988
C 0.722900 -1.257508 3.532616
C -1.474180 -0.158016 3.397130
C 0.490586 1.436776 1.453897
C -0.494101 -1.461572 1.428774
C 1.505569 0.988919 -0.820647
C -1.501229 -0.976445 -0.841629
C 2.546780 0.104501 -1.427026
C -2.540464 -0.082156 -1.436805
C 2.356118 -1.283928 -1.427632
C -2.349928 1.306099 -1.413868
C 3.673735 0.678367 -2.030767
C -3.665350 -0.646021 -2.053701
C 3.311508 -2.109847 -2.028545
C -3.303434 2.141794 -2.004165
C 4.632237 -0.144634 -2.627089
C -4.621965 0.186678 -2.639496
C 4.437184 -1.529137 -2.615174
C -4.427120 1.570809 -2.604012
H 1.819896 0.436683 4.406815
H 2.380317 -0.007829 2.785268
H -1.348018 2.034151 3.135851
H -0.562772 1.435713 4.622607
H 1.338728 -2.086290 3.107139
H 0.548418 -1.511907 4.600680
H -1.833453 -0.509497 4.393019
H -2.388452 -0.038805 2.776985
H 2.228503 0.296004 1.046475
H -2.231756 -0.315911 1.034266
H 1.454284 -1.730267 -0.970424
H -1.449624 1.744861 -0.946418
H 3.800300 1.762294 -2.042746
H -3.791752 -1.729607 -2.084047
H 3.163385 -3.192169 -2.036865
H -3.155404 3.224115 -1.994091
H 5.512843 0.293573 -3.098987
H -5.500949 -0.243712 -3.121503


%chk=000236845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236845

0 1
Br 4.859718 -2.527655 -4.443517
Br -4.872587 2.595540 -4.378930
O -0.318142 2.146429 1.129288
O 0.338767 -2.134742 1.114400
O 2.096290 2.611724 -0.580651
O -2.015208 -2.602427 -0.663423
N 0.599644 1.086095 2.990377
N -0.621418 -1.136755 2.988688
N 1.608891 0.807029 0.838452
N -1.614897 -0.835721 0.831004
C 1.465413 0.063091 3.611078
C -0.676006 1.251088 3.716751
C 0.653237 -1.300915 3.718674
C -1.487067 -0.114665 3.612065
C 0.587311 1.409755 1.625427
C -0.588622 -1.429045 1.616989
C 2.129018 1.374188 -0.355293
C -2.093699 -1.376342 -0.393251
C 2.764484 0.387772 -1.295571
C -2.743540 -0.375497 -1.307418
C 2.440269 -0.996008 -1.311830
C -2.445652 1.014018 -1.278197
C 3.697942 0.896948 -2.235279
C -3.659570 -0.873500 -2.269963
C 3.056400 -1.858927 -2.244923
C -3.071818 1.893540 -2.188872
C 4.323419 0.044244 -3.165062
C -4.295080 -0.004175 -3.177314
C 3.996000 -1.329792 -3.153854
C -3.994867 1.375030 -3.120634
H 1.753125 0.414290 4.618515
H 2.392114 -0.054866 3.030348
H -1.229865 2.088060 3.268240
H -0.450340 1.491400 4.769879
H 1.208627 -2.138529 3.273726
H 0.423312 -1.538436 4.771392
H -1.770388 -0.466682 4.620227
H -2.417628 0.001806 3.036880
H 1.827437 -0.177993 1.018121
H -1.883368 0.129214 1.044137
H 1.681601 -1.423448 -0.642781
H -1.697294 1.433494 -0.592478
H 3.914935 1.969988 -2.227736
H -3.855414 -1.950247 -2.298377
H 2.794595 -2.920222 -2.266060
H -2.829589 2.959607 -2.175924
H 5.046716 0.438286 -3.884111
H -5.005301 -0.389345 -3.914008


