%chk=000252134.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252134

0 1
Br -6.339233 -0.857980 0.422865
O 1.160969 2.940810 0.025497
N -0.459472 0.808852 0.078793
N 0.581222 -1.315529 -0.118901
N 3.031266 -1.499417 -0.106347
N 4.412008 0.366402 -0.064483
N 1.654170 -3.406203 -0.330839
N 3.072829 2.709619 -1.147754
C 0.687648 0.053231 -0.086784
C 1.966681 0.713769 -0.211199
C -1.811022 0.340084 0.152845
C 3.115853 -0.127530 -0.119202
C -2.724318 1.180769 0.828913
C -2.255903 -0.850532 -0.446215
C 1.758234 -2.039644 -0.184651
C 2.008720 2.159858 -0.413078
C -4.068706 0.822776 0.906832
C -3.604161 -1.204421 -0.361383
C -4.496330 -0.368084 0.311979
H -0.324332 1.840396 0.233816
H -2.385874 2.106050 1.295804
H -1.557515 -1.506316 -0.973145
H -4.774217 1.470291 1.430903
H -3.948828 -2.130739 -0.824788
H 5.164133 -0.290728 0.113520
H 4.573046 1.311197 0.257576
H 0.754749 -3.850858 -0.217887
H 2.478778 -3.979977 -0.230267
H 3.595939 2.149220 -1.803510
H 3.018464 3.695033 -1.375809


%chk=000252134-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252134

0 1
Br -6.494020 -0.713465 0.511356
O 0.962738 2.891332 0.079991
N -0.461538 0.688958 0.105835
N 0.629417 -1.395700 -0.229618
N 3.070022 -1.500296 -0.367269
N 4.417367 0.367306 -0.148865
N 1.750999 -3.405668 -0.617625
N 3.110873 2.802877 -0.752913
C 0.689584 -0.034896 -0.105799
C 1.954469 0.689364 -0.203670
C -1.814136 0.284587 0.183864
C 3.127160 -0.141586 -0.243621
C -2.769641 1.324339 0.376603
C -2.270109 -1.059342 0.090677
C 1.816095 -2.050229 -0.408451
C 1.970893 2.162228 -0.267831
C -4.144686 1.037569 0.474199
C -3.648824 -1.347940 0.186160
C -4.573475 -0.302663 0.376608
H -0.255306 1.710050 0.221945
H -2.431622 2.364903 0.448293
H -1.537618 -1.853687 -0.052761
H -4.866134 1.846024 0.621793
H -3.992529 -2.384234 0.113990
H 5.156672 -0.335750 -0.121763
H 4.580493 1.273341 0.289907
H 0.844077 -3.863713 -0.638403
H 2.614156 -3.930444 -0.729953
H 3.803995 2.299340 -1.309092
H 3.045426 3.817794 -0.840485


