%chk=000218675.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218675

0 1
Br 4.471082 1.802892 0.035802
N -2.901969 1.029136 0.017009
N -0.334477 -1.907374 0.168174
C -0.707062 0.246300 -0.903070
C -1.249798 -1.224490 -0.823219
C -2.720135 -1.373120 -0.427304
C -1.423868 1.266129 0.008823
C 0.722308 0.094010 -0.428146
C -3.183149 -0.326460 0.593384
C 0.885421 -1.189309 0.187586
C 1.772870 0.986125 -0.474656
C -3.589171 2.092549 0.810021
C 2.100296 -1.569107 0.755533
C 2.996573 0.587100 0.099278
C 3.165159 -0.653697 0.707370
H -0.767236 0.595614 -1.956951
H -1.115370 -1.694358 -1.834211
H -2.912080 -2.387407 -0.027773
H -3.339381 -1.273899 -1.344852
H -0.982277 1.229396 1.031019
H -1.235524 2.288738 -0.383979
H -4.275973 -0.427711 0.762001
H -2.682618 -0.499500 1.571218
H -0.296799 -2.919184 0.127332
H 1.664780 1.965268 -0.940029
H -3.393595 3.071560 0.343341
H -3.295187 2.148567 1.868311
H -4.677480 1.927021 0.759236
H 2.227062 -2.535389 1.232289
H 4.124099 -0.930801 1.149362


%chk=000218675-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218675

0 1
Br 4.638103 1.757750 -0.251016
N -2.900885 1.031634 0.070659
N -0.372299 -1.781902 0.281826
C -0.713287 0.257151 -0.897786
C -1.230853 -1.218250 -0.808039
C -2.743716 -1.354396 -0.560291
C -1.429047 1.191109 0.119925
C 0.749899 0.093833 -0.488754
C -3.274930 -0.346815 0.474008
C 0.870067 -1.118803 0.255761
C 1.844585 0.956658 -0.635250
C -3.591256 2.057759 0.878487
C 2.094717 -1.480556 0.857010
C 3.072202 0.578447 -0.037052
C 3.207353 -0.615176 0.700675
H -0.859776 0.656160 -1.915216
H -0.976553 -1.729362 -1.766024
H -2.984084 -2.389285 -0.244810
H -3.262656 -1.171834 -1.519848
H -1.035809 0.976706 1.147100
H -1.171518 2.239694 -0.118087
H -4.377539 -0.414233 0.522390
H -2.873607 -0.594640 1.490590
H -0.423432 -2.781723 0.487065
H 1.761552 1.891122 -1.198487
H -3.320714 3.063886 0.511400
H -3.337620 2.008886 1.968177
H -4.684773 1.938182 0.776403
H 2.202390 -2.405984 1.432676
H 4.169985 -0.877418 1.149407


