%chk=000289034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289034

0 1
Br 5.484987 -0.094457 0.551457
O -4.873765 -2.145384 1.288058
N -0.481542 -1.195386 -0.169290
N -2.744311 -0.519671 -0.250730
N 1.354758 -3.318868 -0.121650
C 0.400702 1.520479 -0.084960
C 1.365587 0.431224 0.025101
C -0.975891 1.220585 -0.213791
C 0.879839 -0.893264 -0.030717
C -1.362238 -0.200347 -0.237783
C 1.804081 -2.004911 0.059415
C 0.807705 2.880413 -0.063915
C 2.754996 0.664810 0.194186
C -1.915387 2.276648 -0.303108
C -3.131625 -1.948342 -0.422329
C 3.165796 -1.743658 0.245668
C 3.607339 -0.413211 0.304287
C -0.122509 3.897543 -0.160366
C -1.497124 3.594380 -0.278417
C -4.627495 -2.108140 -0.120922
H 1.870622 3.113960 0.030841
H 3.125622 1.688918 0.238699
H -2.978981 2.051100 -0.381946
H -3.318696 0.120092 -0.805549
H -2.540372 -2.569406 0.297544
H -2.882755 -2.332902 -1.435389
H 3.878754 -2.562710 0.326201
H 0.195431 4.940341 -0.143919
H -2.220187 4.406127 -0.346446
H -5.004052 -3.092612 -0.463209
H -5.245451 -1.307024 -0.566032
H 0.354894 -3.475130 -0.065682
H 1.908064 -4.059091 0.280198
H -4.430198 -1.386807 1.729496


%chk=000289034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289034

0 1
Br 5.546710 -0.145088 0.612704
O -4.468252 -1.906562 1.465419
N -0.470375 -1.215344 -0.196502
N -2.711169 -0.577001 -0.495416
N 1.230630 -3.292669 0.074808
C 0.395530 1.519215 -0.078217
C 1.375578 0.437411 0.050550
C -0.997771 1.189441 -0.240233
C 0.872533 -0.900636 -0.000209
C -1.367688 -0.232846 -0.314360
C 1.774389 -2.023914 0.134430
C 0.763914 2.897499 -0.033910
C 2.774392 0.661086 0.230787
C -1.960626 2.240001 -0.317126
C -3.175392 -1.966083 -0.656490
C 3.156474 -1.783787 0.315989
C 3.615842 -0.448280 0.358383
C -0.194960 3.913879 -0.132774
C -1.571382 3.585389 -0.268404
C -4.544999 -2.141204 0.023144
H 1.816224 3.171492 0.083543
H 3.190796 1.668703 0.274001
H -3.030522 2.014880 -0.395478
H -3.332054 0.150244 -0.852696
H -2.425488 -2.614989 -0.177584
H -3.238978 -2.254382 -1.727765
H 3.856202 -2.617882 0.420915
H 0.115148 4.963672 -0.096304
H -2.323599 4.379017 -0.327067
H -4.895038 -3.180174 -0.097091
H -5.297547 -1.466851 -0.446813
H 0.221842 -3.352898 -0.061196
H 1.799082 -4.127440 0.171005
H -3.892844 -1.108602 1.604957


