%chk=000245059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245059

0 1
Br -3.367473 0.874830 -2.275146
S 1.060449 -1.939840 0.010232
O 1.855522 -2.913731 0.733632
O 0.388668 -2.291533 -1.219802
N -0.148005 -1.530988 1.188754
N 4.111029 3.054209 -0.691880
C 1.941360 -0.497622 -0.202647
C -1.293890 -0.734925 0.966872
C 3.079518 -0.248243 0.582643
C 1.552263 0.442797 -1.171559
C -1.733180 -0.417978 -0.333937
C -2.002592 -0.230044 2.083296
C -3.533444 0.958400 0.601728
C -2.826901 0.429645 -0.486351
C -3.102735 0.598343 1.892365
C 3.817215 0.914251 0.422873
C 2.268053 1.615570 -1.354998
C 3.410917 1.866229 -0.550196
C -4.704760 1.861974 0.415910
H -0.070136 -1.942880 2.127679
H 3.395619 -0.989924 1.327893
H 0.673069 0.246089 -1.799442
H -1.258757 -0.871934 -1.213442
H -1.687459 -0.485379 3.092190
H -3.641482 0.980598 2.760219
H 4.694008 1.095642 1.037045
H 1.952606 2.336675 -2.103743
H -4.426855 2.769781 -0.141653
H -5.504442 1.366084 -0.157067
H -5.144395 2.187989 1.366489
H 4.983656 3.197892 -0.215749
H 3.906356 3.685325 -1.446308


%chk=000245059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000245059

0 1
Br -3.985697 0.173225 -2.227174
S 1.092955 -2.187612 -0.151640
O 2.082496 -3.216457 0.628242
O 0.461185 -2.485199 -1.615956
N -0.439169 -2.092786 1.049804
N 3.770669 3.245972 -0.353783
C 1.914621 -0.510654 -0.218365
C -1.342952 -1.016568 0.868201
C 2.961798 -0.241598 0.684341
C 1.469637 0.428533 -1.169309
C -2.079909 -0.936874 -0.348484
C -1.578227 -0.050121 1.884595
C -3.298411 1.062801 0.491392
C -3.012669 0.098940 -0.514003
C -2.557225 0.944654 1.697807
C 3.584925 1.016115 0.634265
C 2.092806 1.686566 -1.210960
C 3.155797 2.002070 -0.308721
C -4.328616 2.157957 0.318179
H -0.014388 -2.157353 1.991683
H 3.299374 -1.014674 1.382649
H 0.673465 0.168320 -1.873880
H -1.912190 -1.689112 -1.124078
H -1.007580 -0.090416 2.820280
H -2.748002 1.668484 2.498370
H 4.412080 1.240451 1.317500
H 1.765009 2.429199 -1.947133
H -4.089296 2.804867 -0.546165
H -5.333266 1.737316 0.126239
H -4.385271 2.790616 1.219778
H 4.538020 3.473365 0.272346
H 3.481834 3.947275 -1.030117


