%chk=000244469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244469

0 1
Br -8.065695 0.270612 0.630882
O -4.673543 -0.012159 -0.509881
O -4.799833 0.349224 1.727076
C 1.573596 -0.603109 -0.116040
C 0.263228 0.191381 -0.034088
C 2.792461 0.305720 0.092807
C 4.103507 -0.487785 0.010667
C -0.955681 -0.717620 -0.242296
C 5.321417 0.421975 0.218414
C -2.261989 0.080130 -0.162117
C 6.634017 -0.371094 0.136532
C -3.469471 -0.830578 -0.355063
C 7.828620 0.515302 0.333601
C 8.935623 0.437742 -0.402421
C -5.250881 0.509369 0.621470
C -6.466957 1.288596 0.203525
H 1.646720 -1.110502 -1.097341
H 1.572762 -1.410490 0.641767
H 0.265105 0.999934 -0.790520
H 0.191311 0.698066 0.948294
H 2.720197 0.812579 1.074619
H 2.793952 1.113994 -0.663915
H 4.175410 -0.995155 -0.970836
H 4.102885 -1.295414 0.768019
H -0.957001 -1.521576 0.520324
H -0.880613 -1.226773 -1.222976
H 5.326871 1.227183 -0.542219
H 5.248183 0.932223 1.198265
H -2.338826 0.595257 0.818908
H -2.272909 0.883994 -0.924679
H 6.689977 -0.905162 -0.833722
H 6.647309 -1.166977 0.911584
H -3.462431 -1.373306 -1.317720
H -3.619756 -1.527922 0.487284
H 7.735227 1.236917 1.147766
H 9.796901 1.069289 -0.243287
H 9.070342 -0.257105 -1.217662
H -6.514311 2.255305 0.744998
H -6.471521 1.497439 -0.886820


%chk=000244469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244469

0 1
Br -8.209550 -0.084373 0.112394
O -4.779388 0.089274 -0.525257
O -4.960971 0.201879 1.804848
C 1.587392 -0.566922 -0.080836
C 0.277376 0.251177 -0.127315
C 2.853452 0.313369 0.020351
C 4.163167 -0.505546 0.064870
C -0.985411 -0.633707 -0.231774
C 5.428172 0.374897 0.173097
C -2.292740 0.192698 -0.272762
C 6.739721 -0.455151 0.211706
C -3.521971 -0.715611 -0.399118
C 7.972416 0.404594 0.395448
C 9.029714 0.461572 -0.453400
C -5.400102 0.460415 0.661008
C -6.679023 1.220584 0.369053
H 1.655138 -1.202580 -0.988592
H 1.555013 -1.262142 0.783954
H 0.309879 0.947690 -0.990836
H 0.207002 0.883761 0.781711
H 2.787275 0.947620 0.929078
H 2.886015 1.010159 -0.843116
H 4.232127 -1.136930 -0.845655
H 4.129595 -1.205369 0.926263
H -1.014331 -1.330440 0.631253
H -0.914639 -1.263738 -1.143075
H 5.469925 1.077887 -0.682757
H 5.364404 0.999617 1.088348
H -2.379784 0.797776 0.649464
H -2.266739 0.892581 -1.130318
H 6.831437 -1.051563 -0.717013
H 6.667673 -1.179456 1.051461
H -3.501905 -1.306899 -1.329292
H -3.619783 -1.381096 0.477675
H 7.982379 1.034340 1.300365
H 9.889801 1.112715 -0.259714
H 9.064334 -0.143815 -1.368175
H -6.965523 1.840688 1.227803
H -6.617342 1.789548 -0.567946


