%chk=000223311.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223311

0 1
Br 3.296974 3.025045 -1.506545
O -1.842594 1.624646 -1.644619
O -0.289298 -1.416807 0.529649
C -2.481125 0.214044 0.188912
C -3.594329 1.210863 0.563646
C -3.063480 -1.021337 -0.528255
C -4.674057 0.533373 1.416177
C -4.143541 -1.692140 0.330023
C -5.252160 -0.699519 0.707336
C -1.484327 0.892880 -0.744537
C -0.020515 0.676113 -0.514578
C 0.549959 -0.426615 0.097775
C 0.853644 1.696184 -1.001325
C 1.975344 -0.556408 0.277958
C 2.823228 0.480157 -0.193854
C 2.212298 1.605227 -0.839429
C 2.545164 -1.697552 0.919017
C 4.234556 0.345582 -0.004283
C 3.902725 -1.802178 1.087133
C 4.755686 -0.762864 0.617527
H -1.969669 -0.123670 1.124458
H -4.043650 1.626112 -0.362773
H -3.165134 2.072855 1.106428
H -2.249663 -1.740657 -0.745496
H -3.491702 -0.718654 -1.504531
H -5.482845 1.255609 1.635466
H -4.251513 0.239046 2.395794
H -3.687934 -2.111144 1.247411
H -4.575992 -2.549659 -0.218678
H -5.998416 -1.193815 1.355831
H -5.796317 -0.384006 -0.204059
H 0.387409 2.549796 -1.515790
H 1.874671 -2.484737 1.272578
H 4.900761 1.135010 -0.360083
H 0.206143 -2.178113 0.949281
H 4.345173 -2.669333 1.575381
H 5.832529 -0.864134 0.760854


%chk=000223311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223311

0 1
Br 3.319433 2.980682 -1.751684
O -1.834118 1.708958 -1.539988
O -0.219930 -1.482403 0.686017
C -2.527743 0.176815 0.202681
C -3.609906 1.194924 0.658799
C -3.183662 -0.978824 -0.620373
C -4.725401 0.494753 1.467920
C -4.304866 -1.670980 0.188121
C -5.372428 -0.656592 0.662380
C -1.470955 0.869870 -0.658320
C 0.008966 0.626540 -0.468189
C 0.606624 -0.465444 0.191762
C 0.871728 1.624436 -1.040569
C 2.044980 -0.562538 0.335316
C 2.894750 0.465376 -0.237638
C 2.248175 1.547310 -0.930874
C 2.666280 -1.646611 1.038996
C 4.313166 0.351403 -0.086946
C 4.053960 -1.731473 1.171284
C 4.884592 -0.722266 0.599441
H -2.049362 -0.272494 1.089962
H -4.035681 1.686814 -0.235848
H -3.140100 1.991352 1.268843
H -2.411116 -1.715517 -0.909645
H -3.602790 -0.547417 -1.551461
H -5.494540 1.235693 1.760601
H -4.300077 0.086230 2.408601
H -3.861327 -2.175891 1.071314
H -4.774000 -2.460910 -0.430800
H -6.141691 -1.168006 1.273286
H -5.891209 -0.234157 -0.222816
H 0.378199 2.441059 -1.575313
H 2.065019 -2.436443 1.510629
H 4.948410 1.128148 -0.522609
H 0.308212 -2.236454 1.046959
H 4.503958 -2.566840 1.717147
H 5.972452 -0.789904 0.702813


