%chk=000246849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246849

0 1
Br 0.049523 2.851979 -1.846231
O -1.903907 0.887661 -0.177697
O -0.807802 -1.069699 -0.786496
O 2.239453 0.156587 -0.077188
C 0.297448 1.149544 -0.877804
C -0.975201 0.304701 -1.087972
C 1.569996 0.441181 -1.332445
C -3.276382 0.412075 -0.310151
C -0.420703 -1.404678 0.582582
C 3.482162 -0.579258 -0.233358
C -3.989927 1.022425 0.880756
C -0.773704 -2.873308 0.717704
C 3.974691 -0.763784 1.190828
H 0.393055 1.429367 0.207110
H -1.353367 0.272152 -2.132036
H 1.353480 -0.511815 -1.854510
H 2.234270 1.067651 -1.953683
H -3.667989 0.777141 -1.275121
H -3.269363 -0.692182 -0.290591
H 0.666119 -1.207871 0.669966
H -0.984007 -0.759141 1.278822
H 3.269660 -1.538593 -0.736483
H 4.176534 0.022924 -0.845076
H -5.064064 0.811807 0.856646
H -3.584583 0.641912 1.827270
H -3.854630 2.113744 0.900240
H -0.458672 -3.270151 1.688567
H -1.854016 -3.036021 0.614591
H -0.289898 -3.468549 -0.068466
H 4.951059 -1.258728 1.217239
H 4.068083 0.205368 1.701511
H 3.269581 -1.361944 1.782476


%chk=000246849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246849

0 1
Br -0.141059 3.035921 -1.681651
O -2.020219 0.920903 -0.072720
O -0.639579 -1.019300 -0.498988
O 2.251853 0.090467 -0.024414
C 0.272185 1.315362 -0.653907
C -0.932805 0.368763 -0.850371
C 1.612180 0.763926 -1.162584
C -3.351541 0.401382 -0.462470
C -0.427968 -1.291318 0.951744
C 3.437273 -0.683205 -0.432476
C -4.375761 1.034529 0.476490
C -0.365588 -2.810880 1.097328
C 4.028954 -1.320352 0.823959
H 0.361419 1.642504 0.394094
H -1.194564 0.300300 -1.926624
H 1.445299 0.049791 -1.997244
H 2.262213 1.588410 -1.518117
H -3.546886 0.681745 -1.519369
H -3.352865 -0.704504 -0.385997
H 0.518282 -0.817458 1.269275
H -1.270480 -0.858995 1.524661
H 3.136384 -1.457155 -1.172259
H 4.173552 -0.006060 -0.920051
H -5.395589 0.697725 0.215324
H -4.171344 0.752376 1.523903
H -4.338847 2.134790 0.401461
H -0.212147 -3.086479 2.157174
H -1.302003 -3.279035 0.746227
H 0.469451 -3.224662 0.505002
H 4.926095 -1.913008 0.568095
H 4.317751 -0.543797 1.552891
H 3.293252 -1.990189 1.302615


