%chk=000258294.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258294

0 1
Br 3.788058 -2.157183 0.318500
O -0.467488 0.458218 -0.907535
O -2.743759 -1.912693 -0.164057
O 2.777658 1.494374 -1.152276
O -3.537953 1.574064 0.245482
O 0.634435 -0.265623 1.863944
O 5.020747 1.002825 1.641448
O -3.663899 -2.072462 1.897369
O 1.869462 1.337272 -3.212311
O -5.384274 0.284402 0.006492
N 1.654597 -0.395303 -0.234590
N 2.840967 0.308698 1.768328
C 0.384457 -0.690300 -0.979080
C -0.374473 -1.876333 -0.374155
C -1.562016 -1.265901 0.381578
C -1.572111 0.243747 0.026453
C 2.808979 0.047796 -1.035920
C 4.091031 -0.276422 -0.239482
C -2.800098 0.766973 -0.718088
C 1.613846 -0.118963 1.162048
C 4.091571 0.447411 1.114919
C 5.360490 -0.090471 -1.018604
C -3.780675 -2.236111 0.708244
C 2.190141 2.048666 -2.294310
C -4.828561 1.205639 0.560700
C -4.921550 -2.749657 -0.086058
C 2.105258 3.515683 -2.116340
C -5.340733 2.113337 1.619823
H 0.630061 -0.787779 -2.065144
H -0.739028 -2.561108 -1.167688
H 0.256193 -2.493933 0.293715
H -1.519277 -1.430481 1.484028
H -1.337378 0.866070 0.923124
H 2.795097 -0.412182 -2.058154
H -3.441920 -0.033685 -1.136752
H -2.512506 1.480597 -1.513994
H 2.772091 0.605761 2.754735
H 6.251871 -0.292407 -0.398874
H 5.457339 0.951854 -1.369077
H 5.422794 -0.746433 -1.897894
H -5.621919 -1.912320 -0.303281
H -5.486368 -3.513766 0.467240
H -4.616361 -3.166535 -1.057060
H 1.070596 3.811971 -1.862024
H 2.379108 4.048646 -3.041165
H 2.750254 3.883839 -1.299685
H -5.444705 1.568910 2.574885
H -6.336564 2.504266 1.358614
H -4.671886 2.970030 1.803830


%chk=000258294-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258294

0 1
Br 4.266170 -2.398475 0.194216
O -0.415487 0.710677 -0.333851
O -2.627364 -1.405985 -0.340357
O 2.819040 1.269212 -1.406534
O -3.756906 1.452683 1.102291
O 1.106483 0.482456 2.308974
O 5.640390 0.726152 1.347651
O -4.339824 -1.996983 1.140223
O 1.607256 0.518018 -3.262791
O -5.361686 0.893176 -0.503593
N 1.776463 -0.237701 0.169248
N 3.352205 0.617393 1.739043
C 0.384475 -0.526698 -0.268318
C -0.385287 -1.520587 0.643613
C -1.790654 -0.909674 0.791795
C -1.536943 0.605955 0.640001
C 2.799534 -0.136397 -0.856441
C 4.225051 -0.394467 -0.333867
C -2.683232 1.442793 0.072425
C 2.002376 0.292900 1.442888
C 4.497354 0.361709 0.977245
C 5.315742 -0.165039 -1.375595
C -3.904051 -1.916579 -0.031018
C 2.101937 1.463819 -2.616522
C -5.057713 1.119342 0.690042
C -4.642830 -2.291680 -1.290430
C 2.026864 2.931924 -2.945108
C -5.979334 1.031228 1.881205
H 0.471565 -0.894300 -1.304371
H -0.432245 -2.523985 0.193315
H 0.090449 -1.592703 1.632916
H -2.294182 -1.164104 1.738482
H -1.199030 1.000987 1.616493
H 2.559051 -0.818144 -1.689530
H -3.066709 1.030034 -0.874182
H -2.357464 2.486119 -0.070861
H 3.490190 1.070763 2.648420
H 6.299118 -0.408321 -0.945900
H 5.321445 0.899314 -1.669234
H 5.141107 -0.785892 -2.269855
H -5.222051 -1.407545 -1.616465
H -5.347300 -3.111371 -1.081891
H -3.946806 -2.569019 -2.096290
H 1.214872 3.384158 -2.346508
H 1.795852 3.065621 -4.011999
H 2.963896 3.447078 -2.681407
H -5.928896 -0.002032 2.272738
H -7.014782 1.237450 1.570873
H -5.666509 1.719719 2.680726


