%chk=000293248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293248

0 1
Br -4.470803 -0.426379 2.701863
O -0.568212 -2.312817 -0.356110
O 3.283299 -1.288274 1.230328
O 4.173009 1.237991 0.316648
O 0.935915 -3.236250 1.014807
O -5.489043 1.481720 0.611605
C -0.763710 -1.087091 -1.141368
C 0.492112 -0.276142 -0.886770
C 1.335939 -1.013500 -0.007047
C -2.025028 -0.406020 -0.682944
C 0.670928 -2.288871 0.334951
C 0.851821 0.956301 -1.372605
C 2.564339 -0.500118 0.393518
C 2.936609 0.798767 -0.123036
C 2.101487 1.496926 -0.978296
C -2.569906 -0.692979 0.579381
C -2.655240 0.516050 -1.530620
C -3.732468 -0.049522 0.997855
C -3.819624 1.168599 -1.125608
C -4.353102 0.882060 0.141671
C 4.575079 -0.821933 1.709221
C 4.608534 2.550704 -0.116161
H -0.837654 -1.448563 -2.193045
H 0.206382 1.523874 -2.037543
H 2.384975 2.474618 -1.364119
H -2.077353 -1.435028 1.221099
H -2.239316 0.728967 -2.515982
H -4.307074 1.883036 -1.781908
H 4.881063 -1.662694 2.345698
H 4.451147 0.100501 2.285785
H 5.259112 -0.679929 0.866043
H 3.917856 3.319880 0.241511
H 4.724598 2.574373 -1.203521
H 5.582398 2.634100 0.384474
H -5.876171 2.113642 -0.047875


%chk=000293248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293248

0 1
Br -3.490512 1.451093 2.783231
O -0.507447 -2.184864 -0.844310
O 3.542299 -1.548477 0.651850
O 4.358539 1.179034 0.388685
O 1.174549 -3.387403 0.235454
O -5.711093 1.251983 0.667650
C -0.719970 -0.782356 -1.357228
C 0.547814 -0.053872 -0.940157
C 1.435752 -0.963950 -0.322920
C -2.031439 -0.225222 -0.839685
C 0.795338 -2.307259 -0.239237
C 0.889607 1.294733 -1.096588
C 2.712509 -0.564287 0.142723
C 3.069331 0.816670 -0.035317
C 2.157461 1.721255 -0.633399
C -2.138446 0.276210 0.482809
C -3.180513 -0.230895 -1.663228
C -3.365169 0.761361 0.962875
C -4.412922 0.255002 -1.183866
C -4.519312 0.756215 0.136830
C 4.431084 -1.279135 1.804203
C 4.771565 2.573233 0.203030
H -0.775771 -0.881160 -2.459140
H 0.199193 2.009169 -1.554916
H 2.440185 2.770692 -0.757649
H -1.260834 0.286249 1.136466
H -3.116553 -0.625307 -2.683732
H -5.298948 0.244828 -1.831281
H 4.761760 -2.278918 2.121959
H 3.868972 -0.789246 2.619923
H 5.284718 -0.651562 1.506950
H 4.121566 3.264965 0.772793
H 4.768566 2.851350 -0.868326
H 5.797724 2.620387 0.595438
H -6.447705 1.185484 0.010010


