%chk=000221311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221311

0 1
Br -5.113400 -3.032619 -0.151719
O -0.676810 1.101184 -0.306988
O -4.019287 0.328845 -0.449488
O -4.654660 -0.118766 1.680857
C 4.775224 -0.550739 -0.121396
C 3.293021 -0.173163 -0.133448
C 5.544462 0.539507 0.652621
C 5.295111 -0.633972 -1.571852
C 5.026595 -1.912024 0.556170
C 2.880736 0.952041 -0.879919
C 2.329118 -0.885196 0.585834
C 1.550904 1.349219 -0.916835
C 0.977707 -0.511575 0.569762
C 0.605677 0.602393 -0.184192
C -1.744749 0.416693 0.409134
C -2.976925 1.231955 0.020778
C -4.787474 -0.310291 0.499241
C -5.760050 -1.201752 -0.216693
H 6.613242 0.311259 0.706794
H 5.442497 1.521686 0.180862
H 5.172034 0.632448 1.678525
H 5.251918 0.334233 -2.080078
H 6.336976 -0.967940 -1.602338
H 4.702622 -1.341271 -2.162274
H 6.090771 -2.170999 0.532907
H 4.722722 -1.906103 1.607889
H 4.486749 -2.718744 0.049313
H 3.619823 1.525136 -1.442231
H 2.610369 -1.753750 1.182310
H 1.225516 2.212512 -1.491119
H 0.256268 -1.088506 1.136971
H -1.813918 -0.627769 0.051916
H -1.528944 0.444308 1.490974
H -2.788095 1.854548 -0.879623
H -3.369152 1.846757 0.848778
H -5.880622 -0.915188 -1.283274
H -6.756778 -1.164257 0.269529


%chk=000221311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221311

0 1
Br -5.291126 -2.948278 0.794122
O -0.698611 1.127391 -0.594952
O -4.256245 0.121107 -0.538711
O -4.407895 0.471669 1.770598
C 4.842418 -0.533681 -0.014868
C 3.350028 -0.148482 -0.146453
C 5.540705 0.428685 0.993294
C 5.533465 -0.408032 -1.406503
C 5.034008 -1.986521 0.491873
C 2.990531 1.156319 -0.592751
C 2.292096 -1.037958 0.156058
C 1.649373 1.551632 -0.730436
C 0.932762 -0.662987 0.024554
C 0.612955 0.638053 -0.421403
C -1.804309 0.210168 -0.304437
C -3.069760 1.020371 -0.606611
C -4.812227 -0.081491 0.725063
C -5.975619 -1.047306 0.632516
H 6.613072 0.172593 1.087135
H 5.471900 1.482293 0.668014
H 5.076751 0.352891 1.993746
H 5.458651 0.618619 -1.808038
H 6.607164 -0.662896 -1.326270
H 5.067638 -1.092166 -2.139231
H 6.113415 -2.212134 0.568650
H 4.590144 -2.133530 1.494115
H 4.586739 -2.724491 -0.199763
H 3.773226 1.882777 -0.839832
H 2.512486 -2.051633 0.503412
H 1.383034 2.556263 -1.073421
H 0.151378 -1.387805 0.273132
H -1.753883 -0.683860 -0.957993
H -1.784088 -0.106387 0.756895
H -3.060227 1.393844 -1.640923
H -3.188818 1.850110 0.109997
H -6.480673 -0.996485 -0.340728
H -6.661258 -0.908561 1.477847


