%chk=000246757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246757

0 1
Br -2.982797 -1.269314 -0.902219
O 3.386364 0.400028 -0.192463
O -0.278149 -2.064150 -0.091928
N 0.765302 -0.252731 0.775542
C -1.567418 -0.004967 -0.236130
C -0.318269 -0.861800 0.088932
C 1.939843 -1.132887 1.061965
C 1.190339 1.156253 0.578155
C -2.102982 0.635760 1.053336
C -1.301619 1.000071 -1.362883
C 3.017349 -0.986798 -0.021700
C 2.268839 1.245566 -0.517596
C -3.329005 1.519226 0.857727
C -0.512069 0.418871 -2.528805
H 1.604095 -2.195153 1.137576
H 2.340469 -0.839795 2.057500
H 1.605703 1.520827 1.547494
H 0.324296 1.810580 0.330160
H -1.298597 1.231490 1.536071
H -2.341695 -0.166975 1.787636
H -0.764634 1.882407 -0.943829
H -2.268596 1.405183 -1.735275
H 2.686745 -1.393749 -0.993470
H 3.977357 -1.446701 0.273968
H 2.734722 2.245041 -0.572184
H 1.866084 0.953187 -1.510768
H -3.129397 2.373034 0.201871
H -3.674885 1.919488 1.819373
H -4.173801 0.964483 0.425325
H -0.909886 -0.555840 -2.850792
H 0.549928 0.268963 -2.277831
H -0.552834 1.079202 -3.403057


%chk=000246757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246757

0 1
Br -3.138524 -1.326445 -0.737596
O 3.572042 0.574537 0.172190
O -0.402563 -2.202939 -0.006314
N 0.832513 -0.322421 0.507894
C -1.597346 -0.031949 -0.224780
C -0.354840 -0.942193 0.088579
C 1.977487 -1.197583 0.879066
C 1.184566 1.110775 0.631032
C -2.088655 0.701773 1.057496
C -1.407478 0.877616 -1.471129
C 3.209412 -0.849655 0.027060
C 2.439542 1.422344 -0.216904
C -3.254790 1.692614 0.861801
C -0.741674 0.192246 -2.681501
H 1.666856 -2.243336 0.724727
H 2.210252 -1.039239 1.951027
H 1.408263 1.332342 1.695094
H 0.361681 1.762906 0.311345
H -1.231247 1.245484 1.500259
H -2.374481 -0.069115 1.796112
H -0.816875 1.770074 -1.179461
H -2.401212 1.259216 -1.764433
H 3.008936 -1.078846 -1.041507
H 4.095005 -1.411886 0.364732
H 2.774541 2.459442 -0.048124
H 2.207410 1.277725 -1.295151
H -2.978931 2.535292 0.202515
H -3.550843 2.116419 1.838444
H -4.135204 1.187506 0.428890
H -1.335610 -0.676556 -3.012719
H 0.275443 -0.167533 -2.440833
H -0.662874 0.900188 -3.526108


