%chk=000186167.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186167

0 1
Br 6.980479 1.088559 -0.178082
O -2.394894 1.853819 0.196008
O 0.107064 1.492292 0.144265
O -6.082936 0.308737 0.263674
O -4.827703 2.069945 0.254527
N 1.084187 -0.582467 0.018742
N -4.994538 0.868552 0.242781
C 2.458318 -0.162465 -0.041210
C 3.436113 -1.109166 -0.451247
C -1.370194 -0.350884 0.128455
C -0.023588 0.261574 0.098686
C -2.494192 0.532216 0.174409
C 2.839691 1.141584 0.312814
C 4.779835 -0.717182 -0.483086
C -3.813651 -0.006674 0.199831
C -1.605160 -1.732255 0.118167
C 3.073131 -2.502506 -0.851654
C 4.183827 1.518056 0.270513
C 5.139964 0.583488 -0.124082
C -3.998586 -1.395645 0.185598
C -2.897987 -2.253905 0.145949
H 0.928005 -1.592662 -0.031216
H 2.085732 1.878707 0.617758
H 5.544299 -1.432986 -0.793347
H -0.759515 -2.426502 0.088592
H 3.947759 -3.072342 -1.203489
H 2.656672 -3.075507 -0.011585
H 2.352725 -2.513943 -1.682497
H 4.469789 2.535499 0.545718
H -5.023133 -1.795956 0.206749
H -3.053971 -3.332425 0.137541
H -1.392641 2.205145 0.180718


%chk=000186167-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186167

0 1
Br 7.128107 0.947631 -0.232443
O -2.368130 1.885361 0.552606
O 0.080551 1.628898 0.297067
O -6.184012 0.044680 0.505648
O -5.011297 1.978273 0.763397
N 1.087658 -0.438423 -0.096656
N -5.071660 0.716371 0.531888
C 2.466118 -0.067223 -0.116133
C 3.414633 -1.121595 -0.312250
C -1.372459 -0.287938 0.041013
C -0.025183 0.353751 0.085016
C -2.523907 0.561875 0.298640
C 2.903490 1.272903 0.044352
C 4.788842 -0.796065 -0.343394
C -3.823154 -0.048118 0.275234
C -1.571027 -1.662111 -0.240299
C 2.974979 -2.566618 -0.486980
C 4.280042 1.577425 0.010089
C 5.210463 0.539605 -0.183634
C -3.977808 -1.422009 -0.000857
C -2.856812 -2.231996 -0.262841
H 0.915795 -1.435019 -0.230713
H 2.166798 2.062167 0.195665
H 5.526093 -1.590375 -0.492773
H -0.723001 -2.322533 -0.459881
H 3.848356 -3.226029 -0.612758
H 2.416349 -2.943817 0.393423
H 2.340291 -2.704627 -1.385831
H 4.612153 2.611664 0.134047
H -4.993287 -1.826437 -0.006147
H -2.986587 -3.294564 -0.484458
H -1.337495 2.087594 0.499962


