%chk=000180987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180987

0 1
Br -1.250302 0.875672 3.431123
O 1.140155 2.746610 0.314991
O -0.356065 3.458964 -1.228408
O -4.282877 -1.655344 -1.519277
O 2.742679 -1.898101 -0.653513
C -1.116479 2.362303 0.834836
C -0.697682 2.339070 2.307021
C -1.722396 3.339175 1.840959
C -1.926590 1.270502 0.232097
C -0.141858 2.922850 -0.172626
C -3.152459 1.573667 -0.392725
C -1.464570 -0.051555 0.266186
C -3.914752 0.566780 -0.967372
C -2.214469 -1.080902 -0.308171
C -3.434877 -0.761376 -0.918442
C 2.259995 3.065934 -0.561803
C 2.988006 1.794006 -0.903826
C 2.452390 0.547981 -0.560740
C 4.219720 1.879941 -1.570262
C -3.887157 -3.065630 -1.564329
C 3.185367 -0.597954 -0.881872
C 4.921899 0.712712 -1.893225
C 4.420109 -0.542049 -1.548576
C -5.037338 -3.720350 -2.302881
C 1.821164 -2.162421 0.363447
C 1.832311 -1.519269 1.605694
C 0.941667 -3.213950 0.063921
C 0.915108 -1.941187 2.572352
C 0.046782 -3.623354 1.053294
C 0.024736 -2.985438 2.299943
H 0.317053 2.654901 2.581975
H -2.773184 3.216308 2.117438
H -1.466329 4.398620 1.801409
H -3.498103 2.607821 -0.431230
H -0.510927 -0.290728 0.744996
H -4.863583 0.773617 -1.456910
H -1.838549 -2.098308 -0.271574
H 1.894156 3.592444 -1.469011
H 2.875127 3.749374 0.054604
H 1.484924 0.487160 -0.061580
H 4.632781 2.848180 -1.841695
H -3.779789 -3.428736 -0.528156
H -2.929801 -3.140793 -2.108014
H 5.876318 0.784747 -2.416376
H 4.953088 -1.459855 -1.785002
H -5.988840 -3.569715 -1.773403
H -5.166831 -3.284534 -3.304060
H -4.877840 -4.798034 -2.418732
H 2.541591 -0.722342 1.820083
H 0.978540 -3.690464 -0.912870
H 0.897304 -1.449062 3.545913
H -0.639261 -4.445668 0.852531
H -0.685261 -3.304620 3.059945


%chk=000180987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180987

0 1
Br -1.126552 0.858979 3.266292
O 1.008211 2.833847 -0.456151
O -0.043703 1.232300 -1.795673
O -5.707000 -1.268815 -0.812970
O 4.261094 -1.498893 -0.160781
C -1.048892 1.888061 0.355683
C -0.413583 1.958192 1.782842
C -1.183484 3.144645 1.264297
C -2.262155 1.041985 0.071589
C -0.023930 1.923937 -0.753378
C -3.536796 1.629122 -0.129549
C -2.140186 -0.362859 -0.041649
C -4.662328 0.837762 -0.420596
C -3.257175 -1.172777 -0.332967
C -4.527009 -0.569162 -0.521273
C 2.162997 2.876695 -1.419971
C 3.326070 2.069743 -0.884186
C 3.208550 0.661327 -0.773845
C 4.529559 2.707463 -0.495455
C -5.625179 -2.737802 -0.938960
C 4.285671 -0.086252 -0.251955
C 5.612677 1.939366 -0.008005
C 5.496188 0.540039 0.123095
C -7.035260 -3.233062 -1.248218
C 3.062410 -2.183530 0.178415
C 2.135759 -1.678760 1.120490
C 2.891043 -3.458208 -0.403194
C 1.013685 -2.464045 1.467350
C 1.768276 -4.234961 -0.042035
C 0.823932 -3.741458 0.889221
H 0.674723 2.013100 1.848147
H -2.180655 3.317963 1.677647
H -0.610618 4.038099 1.004232
H -3.650399 2.717376 -0.066347
H -1.161113 -0.835670 0.093027
H -5.649325 1.282836 -0.578155
H -3.126055 -2.255652 -0.413896
H 1.799677 2.489683 -2.388512
H 2.409123 3.946831 -1.499097
H 2.292498 0.159560 -1.102989
H 4.620438 3.796858 -0.574596
H -5.246347 -3.168810 0.010863
H -4.917969 -2.998877 -1.753013
H 6.546192 2.432610 0.282995
H 6.315636 -0.073476 0.508621
H -7.730683 -2.958439 -0.436865
H -7.406226 -2.789551 -2.187874
H -7.036852 -4.333176 -1.354757
H 2.291974 -0.699898 1.584908
H 3.633609 -3.819164 -1.121022
H 0.297591 -2.075352 2.200360
H 1.631757 -5.224841 -0.491187
H -0.045064 -4.347291 1.167144


