%chk=000258427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258427

0 1
Br -4.452987 -2.840715 -1.702504
O 3.313356 -0.494254 -0.651897
O 1.604762 0.135369 0.828591
C 2.903919 -1.698879 1.467636
C 2.099332 -2.743674 0.685586
C 2.965383 -0.371383 0.708550
C 2.607440 -2.844403 -0.757423
C 2.562166 -1.469829 -1.422651
C 1.273084 1.380964 0.332345
C -0.009710 1.830368 0.733563
C -0.873926 0.983685 1.625311
C 2.095467 2.144044 -0.501777
C -1.747043 0.062514 0.813503
C -0.440188 3.075775 0.270339
C 1.636574 3.389986 -0.940079
C 0.377791 3.856594 -0.556700
C -1.212807 -1.125257 0.287766
C -3.093044 0.380779 0.577538
C -2.011380 -1.990425 -0.461513
C -3.901981 -0.479632 -0.171290
C -3.350225 -1.656108 -0.679995
H 2.452406 -1.537426 2.466538
H 3.938149 -2.056974 1.640039
H 1.022733 -2.445818 0.685947
H 2.155395 -3.726273 1.187212
H 3.686893 0.375853 1.094582
H 3.644016 -3.235370 -0.767528
H 2.000655 -3.567046 -1.334164
H 3.089842 -1.437084 -2.391804
H 1.531775 -1.084951 -1.529495
H -1.484909 1.624609 2.293985
H -0.226753 0.384330 2.308448
H 3.062809 1.764506 -0.829217
H -1.425449 3.444266 0.554496
H 2.268084 3.994831 -1.589937
H 0.025934 4.825134 -0.903388
H -0.152728 -1.366335 0.462226
H -3.514574 1.303229 0.973267
H -1.592259 -2.910479 -0.868193
H -4.947301 -0.227524 -0.351715


%chk=000258427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258427

0 1
Br -5.196720 -2.442559 -1.779346
O 3.542549 -0.583446 -0.661165
O 1.604655 0.022855 0.681061
C 3.140557 -1.604363 1.570375
C 2.482032 -2.831044 0.896958
C 3.035382 -0.357244 0.681519
C 3.068844 -3.034866 -0.520119
C 2.918607 -1.746074 -1.345772
C 1.247958 1.324906 0.242878
C -0.038681 1.778840 0.648054
C -0.952338 0.909736 1.509275
C 2.095241 2.129242 -0.556968
C -1.978135 0.105131 0.708185
C -0.447558 3.065511 0.224923
C 1.659790 3.412390 -0.954900
C 0.386761 3.885851 -0.567139
C -1.563320 -0.818860 -0.286498
C -3.366096 0.256003 0.947161
C -2.503297 -1.573044 -1.022030
C -4.325274 -0.488814 0.220546
C -3.877504 -1.396858 -0.757561
H 2.678800 -1.386169 2.549535
H 4.216890 -1.801533 1.737182
H 1.389179 -2.669395 0.828897
H 2.642003 -3.732152 1.516395
H 3.633149 0.494027 1.056684
H 4.141725 -3.299673 -0.447797
H 2.555555 -3.864364 -1.043577
H 3.445777 -1.802809 -2.311487
H 1.848524 -1.520227 -1.530132
H -1.488094 1.554257 2.230284
H -0.324582 0.211809 2.092791
H 3.058614 1.739013 -0.895956
H -1.437950 3.427125 0.527766
H 2.313946 4.032581 -1.577767
H 0.046119 4.878686 -0.879382
H -0.493823 -0.947565 -0.485926
H -3.712143 0.963193 1.710544
H -2.172440 -2.282153 -1.786671
H -5.394003 -0.360945 0.415375


