%chk=000208711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208711

0 1
Br -7.989838 0.553555 -3.282152
O 0.103420 0.429647 -1.473649
O 6.598824 0.073814 1.551414
O 6.872531 -0.486243 -0.518011
O 2.484196 2.784621 2.069803
O 0.823000 1.413945 2.272598
N 4.638805 -2.204881 -1.207650
N 6.178292 -0.220940 0.448488
N -6.110796 -0.243383 0.393433
N -0.439129 -0.289478 0.658960
N 1.908084 1.744763 1.819951
C 4.426903 -2.679209 -2.602913
C 5.806164 -2.257656 -2.125633
C 4.034301 -1.088791 -0.623462
C 4.712117 -0.219523 0.271049
C 2.622744 -0.941906 -0.758603
C 1.913197 -0.023871 -0.006263
C 3.986171 0.695732 1.050486
C 2.597688 0.783353 0.933072
C 0.431385 0.104652 -0.346762
C -4.691639 -0.331212 0.436959
C -6.794399 -0.522703 -0.902568
C -6.887892 -0.674871 1.589456
C -1.875287 -0.269652 0.544640
C -3.922462 -0.268247 -0.747367
C -4.014486 -0.361957 1.681125
C -2.531875 -0.234366 -0.695706
C -2.627024 -0.324256 1.735006
C -7.090642 0.828656 -1.556227
C -6.885597 -2.184560 1.825150
H 4.171382 -3.741479 -2.704128
H 3.881734 -2.066176 -3.326869
H 6.271270 -1.332711 -2.491592
H 6.567966 -3.005848 -1.869471
H 2.094248 -1.569319 -1.486024
H 4.523914 1.348688 1.760588
H -0.075923 -0.374843 1.619818
H -7.739492 -1.088463 -0.737999
H -6.176547 -1.162433 -1.575022
H -7.930254 -0.301618 1.468192
H -6.475022 -0.144760 2.480262
H -4.404839 -0.235991 -1.723606
H -4.577958 -0.397285 2.612882
H -1.956431 -0.168934 -1.625822
H -2.128420 -0.331444 2.704694
H -6.170223 1.409042 -1.749298
H -7.753375 1.452711 -0.931765
H -7.431809 -2.442301 2.739921
H -5.865739 -2.577163 1.931585
H -7.354539 -2.732804 1.000328


%chk=000208711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208711

0 1
Br -8.014528 -0.318323 -3.576410
O 0.226343 -0.847746 -1.479078
O 6.723545 0.320039 1.654363
O 7.060489 -0.996965 -0.174759
O 2.661670 1.845550 3.031255
O 0.784481 0.600713 2.800039
N 4.891372 -1.711965 -1.724295
N 6.286105 -0.343103 0.633055
N -6.175841 -0.452631 0.297155
N -0.491692 -0.315418 0.681126
N 1.987570 0.939484 2.410071
C 4.584824 -1.901625 -3.154822
C 5.975863 -1.439636 -2.673348
C 4.225796 -1.026018 -0.739856
C 4.834574 -0.371181 0.390618
C 2.800864 -1.008907 -0.786664
C 1.951823 -0.417907 0.166970
C 4.026687 0.259556 1.346898
C 2.618454 0.241406 1.275907
C 0.479901 -0.526792 -0.267576
C -4.771076 -0.431372 0.368545
C -6.874272 -0.889536 -0.922389
C -7.016864 -0.112023 1.465906
C -1.896133 -0.370268 0.513000
C -3.955197 -0.712275 -0.773146
C -4.094224 -0.117925 1.591294
C -2.552664 -0.686691 -0.708681
C -2.695042 -0.086599 1.655817
C -7.058168 0.296611 -1.889845
C -7.233755 -1.296859 2.436312
H 4.452621 -2.937189 -3.484785
H 3.930354 -1.165066 -3.638396
H 6.255512 -0.393142 -2.839074
H 6.810269 -2.145537 -2.659799
H 2.298539 -1.460169 -1.648495
H 4.514661 0.767445 2.182770
H -0.141363 -0.063192 1.628946
H -7.864184 -1.294737 -0.647555
H -6.326563 -1.708058 -1.421500
H -7.996127 0.233976 1.086198
H -6.574030 0.749051 1.999486
H -4.411799 -0.949169 -1.738822
H -4.658317 0.096428 2.502395
H -1.951260 -0.902391 -1.593279
H -2.209180 0.160585 2.607577
H -6.100668 0.715913 -2.231708
H -7.695601 1.087770 -1.466750
H -7.871963 -0.988092 3.284667
H -6.274495 -1.664660 2.839346
H -7.730613 -2.139457 1.922613


