%chk=000282563.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282563

0 1
Br -1.018065 2.881001 0.372073
O -3.171797 1.993346 -1.477458
O -2.316411 1.114508 2.417946
O -2.609412 -2.866201 0.662532
O -1.582583 -1.806997 2.247543
O -2.080250 0.116308 -2.107724
O -3.934243 0.436300 0.973148
O 4.998137 2.481942 0.011308
O 3.841662 2.161047 1.810726
N -1.775709 -2.091502 1.076599
N 4.004102 2.094025 0.603143
C -0.542070 0.042858 0.388680
C -0.871710 -1.428407 0.023852
C -1.708455 1.044951 0.136125
C 0.716213 0.498042 -0.324797
C 0.369165 -2.290812 -0.069658
C -2.311886 0.961104 -1.271915
C -2.816217 0.830321 1.182270
C 1.746260 1.066790 0.437723
C 0.874575 0.369070 -1.713783
C 0.651658 -2.953504 -1.272651
C 1.224991 -2.438435 1.032462
C 2.915406 1.496261 -0.203856
C 2.046550 0.804792 -2.340176
C 3.078276 1.372325 -1.591939
C 1.796764 -3.748700 -1.374324
C 2.366972 -3.234890 0.923304
C 2.655771 -3.888275 -0.279731
C -3.903471 1.990431 -2.741312
C -3.153448 0.742294 3.556468
H -0.351309 0.072746 1.509315
H -1.436659 -1.466343 -0.959501
H 1.651009 1.187324 1.523942
H 0.074389 -0.076310 -2.317420
H -0.017363 -2.855733 -2.127984
H 0.993892 -1.942847 1.977534
H 2.154759 0.699349 -3.420868
H 4.002282 1.718070 -2.067548
H 2.016973 -4.263720 -2.309105
H 3.032267 -3.348681 1.779438
H 3.547726 -4.508863 -0.361977
H -4.412930 2.961213 -2.705958
H -4.612078 1.155328 -2.738246
H -3.204668 1.918808 -3.580122
H -2.718583 1.336581 4.367733
H -3.025539 -0.336433 3.718250
H -4.200744 1.001015 3.370039


%chk=000282563-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282563

0 1
Br -1.040039 2.997454 0.481284
O -3.357038 2.042535 -1.329050
O -2.439828 1.131118 2.459604
O -2.640132 -2.853197 0.472283
O -1.651711 -1.735489 2.193889
O -2.095748 0.299328 -2.184849
O -3.867519 0.179009 0.885887
O 5.253853 2.358258 -0.072008
O 4.023603 1.997118 1.813091
N -1.789218 -2.025480 0.943920
N 4.178718 1.974298 0.531062
C -0.472302 0.105474 0.304788
C -0.786607 -1.387818 -0.068083
C -1.705447 1.085423 0.144917
C 0.792981 0.572252 -0.430967
C 0.438804 -2.299162 -0.058752
C -2.378371 1.086273 -1.249454
C -2.803089 0.765607 1.190662
C 1.874185 1.052042 0.341555
C 0.935092 0.516893 -1.842833
C 0.723481 -3.081290 -1.203845
C 1.274912 -2.399185 1.081634
C 3.054801 1.474144 -0.300792
C 2.127240 0.949247 -2.466397
C 3.205734 1.436841 -1.702759
C 1.843102 -3.942090 -1.218203
C 2.390862 -3.261541 1.067300
C 2.680430 -4.032700 -0.083223
C -4.156151 2.059115 -2.581486
C -3.364778 0.702223 3.544965
H -0.255270 0.124865 1.389349
H -1.308490 -1.452749 -1.033376
H 1.813484 1.115282 1.431736
H 0.110028 0.144138 -2.455908
H 0.067785 -3.018744 -2.080340
H 1.047278 -1.821742 1.985052
H 2.214289 0.901415 -3.556577
H 4.139872 1.776455 -2.157157
H 2.057682 -4.542294 -2.108898
H 3.032465 -3.334731 1.951885
H 3.547795 -4.701731 -0.091794
H -4.857129 2.893150 -2.447429
H -4.688591 1.100370 -2.691472
H -3.495660 2.223310 -3.448695
H -2.947443 1.154248 4.454340
H -3.361311 -0.398321 3.600231
H -4.382406 1.071880 3.339014


