%chk=000250584.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250584

0 1
Br -2.809440 -2.369790 0.470965
O -1.134067 1.913762 1.164654
O -3.756587 0.879574 0.075060
N -0.319984 0.223821 -0.194597
C 1.131707 0.371885 0.103562
C 1.638926 -0.818204 0.943696
C 1.936209 0.517350 -1.203416
C 3.130037 -0.638959 1.256378
C 3.425335 0.697353 -0.878288
C 3.955941 -0.463455 -0.025508
C -0.839271 -0.879654 -1.049389
C -2.349834 -0.927797 -0.763311
C -1.315287 0.979770 0.421933
C -2.676590 0.393797 -0.056544
H 1.232816 1.318988 0.708215
H 1.477728 -1.772649 0.409138
H 1.058163 -0.893293 1.883280
H 1.564997 1.383305 -1.783658
H 1.800681 -0.369490 -1.849156
H 3.498771 -1.512366 1.827057
H 3.272679 0.237474 1.918962
H 3.581953 1.656797 -0.347035
H 4.005647 0.772975 -1.817258
H 5.017025 -0.285802 0.232565
H 3.938076 -1.400505 -0.614341
H -0.316671 -1.836059 -0.829066
H -0.650442 -0.647074 -2.122410
H -2.959218 -1.073954 -1.679888


%chk=000250584-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250584

0 1
Br -2.901518 -2.345486 0.559232
O -1.089721 1.973139 1.134730
O -3.749850 1.035081 -0.010685
N -0.331970 0.132721 -0.158712
C 1.112611 0.298726 0.109242
C 1.677920 -0.879088 0.946758
C 1.926527 0.501786 -1.193666
C 3.173948 -0.644584 1.268250
C 3.421766 0.735517 -0.866049
C 4.002804 -0.421953 -0.018883
C -0.871767 -0.910169 -1.060921
C -2.387242 -0.902039 -0.785655
C -1.290841 0.981105 0.384833
C -2.652525 0.455634 -0.113895
H 1.180245 1.223447 0.717115
H 1.573875 -1.827525 0.379659
H 1.090689 -0.984245 1.877576
H 1.515393 1.359307 -1.759606
H 1.835697 -0.397536 -1.838143
H 3.571239 -1.506177 1.837672
H 3.269835 0.243669 1.925463
H 3.526618 1.687112 -0.306143
H 3.995777 0.852035 -1.804907
H 5.057389 -0.209333 0.240356
H 4.002566 -1.353885 -0.621656
H -0.407861 -1.889508 -0.861075
H -0.684807 -0.650777 -2.123215
H -3.027497 -1.099174 -1.656074


