%chk=000224121.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224121

0 1
Br -0.978518 3.597867 -0.001738
O 1.813949 -2.874686 0.005699
O -5.341584 -0.920138 -0.000717
O -4.967410 1.314660 0.000938
N -2.209440 0.905586 0.004105
C 1.977048 0.680337 -0.000548
C 1.193355 -0.515585 0.002456
C 3.402296 0.310193 -0.001718
C 3.503097 -1.118081 0.000579
C 2.130082 -1.714024 0.003258
C -0.177478 -0.501773 0.004216
C 1.354525 1.917860 -0.001806
C -0.833593 0.771736 0.002857
C -0.044922 1.947197 -0.000076
C 4.543719 1.092877 -0.004465
C 4.733196 -1.746494 0.000129
C 5.796682 0.444408 -0.004915
C 5.893863 -0.944637 -0.002674
C -3.094306 -0.275195 0.007001
C -4.540333 0.184637 0.002095
C -6.800475 -0.688834 -0.005347
C -7.379064 -2.084926 -0.007376
H -0.740277 -1.432204 0.006611
H 1.930894 2.843948 -0.004068
H 4.486507 2.177936 -0.006229
H 4.806366 -2.834638 0.001884
H -2.678066 1.819264 0.004569
H 6.703732 1.050563 -0.007068
H 6.871670 -1.423145 -0.003069
H -2.908134 -0.924707 -0.886765
H -2.912129 -0.917406 0.906835
H -7.045814 -0.105328 0.898688
H -7.040004 -0.105113 -0.910805
H -8.476256 -2.059184 -0.010979
H -7.052998 -2.657044 -0.887708
H -7.058781 -2.657228 0.874951


%chk=000224121-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224121

0 1
Br -0.956124 3.700483 -0.002359
O 1.863436 -2.901768 0.002598
O -5.382978 -1.008195 -0.001764
O -4.922998 1.282397 0.000038
N -2.229584 0.819245 -0.000001
C 2.021328 0.701028 -0.000667
C 1.248752 -0.494927 0.000576
C 3.460338 0.338916 -0.000655
C 3.565316 -1.087451 0.000601
C 2.182375 -1.680199 0.001418
C -0.147606 -0.487230 0.000966
C 1.361510 1.943304 -0.001524
C -0.847996 0.764189 -0.000075
C -0.048870 1.955964 -0.001251
C 4.624904 1.127108 -0.001595
C 4.809339 -1.735708 0.000932
C 5.887380 0.473536 -0.001268
C 5.984816 -0.939466 -0.000018
C -3.081363 -0.358440 0.000989
C -4.540618 0.089079 -0.000368
C -6.855846 -0.712808 -0.002368
C -7.572486 -2.057744 -0.003041
H -0.694762 -1.435221 0.002139
H 1.910829 2.889496 -0.002412
H 4.573963 2.221608 -0.002549
H 4.862201 -2.829664 0.001901
H -2.707886 1.726404 0.000463
H 6.803046 1.075948 -0.001993
H 6.970510 -1.416729 0.000207
H -2.914637 -1.002997 -0.887227
H -2.915963 -1.000540 0.891351
H -7.082378 -0.107459 0.893559
H -7.081559 -0.106974 -0.898165
H -8.665224 -1.893529 -0.003505
H -7.309468 -2.646255 -0.898486
H -7.310297 -2.646700 0.892353


