%chk=000249682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249682

0 1
Br 4.535108 -3.713674 -1.698848
Br 4.484343 2.372872 2.790846
N 2.922257 -0.073919 -0.328888
C -0.763114 0.359074 -0.273201
C -1.218214 -0.714627 0.577559
C 0.571209 0.605063 -0.593982
C -1.868531 1.144562 -0.769679
C -2.687484 -0.590426 0.627725
C 1.530444 -0.296762 0.007717
C -3.082072 0.538011 -0.187339
C -0.285610 -1.560935 1.111640
C 1.095653 -1.332764 0.819471
C 0.809643 1.696590 -1.491450
C -1.604356 2.191063 -1.611253
C 3.783183 -1.299422 -0.343237
C 3.531412 1.065614 0.418863
C -3.638900 -1.342099 1.290302
C -4.415127 0.878540 -0.313031
C -0.240316 2.450246 -1.968084
C -4.996674 -0.982682 1.152845
C -5.376127 0.102464 0.369573
C 3.402899 -2.111879 -1.579749
C 3.660314 0.819338 1.923054
H -0.559330 -2.394978 1.753905
H 1.816129 -2.018397 1.266683
H 1.833930 1.905190 -1.801069
H -2.391040 2.821519 -2.017778
H 4.850596 -0.983494 -0.406657
H 3.689964 -1.916368 0.579099
H 4.526987 1.278072 -0.035482
H 2.905944 1.971830 0.231043
H -3.356966 -2.192739 1.905690
H -4.725782 1.723952 -0.922061
H -0.047238 3.278547 -2.650371
H -5.753525 -1.569511 1.671668
H -6.429303 0.363788 0.276363
H 3.544817 -1.532441 -2.510325
H 2.352055 -2.453204 -1.551220
H 4.294399 -0.051968 2.156240
H 2.674520 0.663754 2.399317


%chk=000249682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249682

0 1
Br 4.692865 -3.762793 -1.636097
Br 4.791173 2.732294 2.412622
N 2.906764 -0.177169 -0.138529
C -0.819317 0.337893 -0.208158
C -1.316597 -0.767913 0.555063
C 0.547574 0.568959 -0.508621
C -1.897614 1.160397 -0.677712
C -2.789151 -0.624608 0.599022
C 1.502197 -0.370201 0.063044
C -3.145369 0.557132 -0.151491
C -0.388414 -1.697773 1.034070
C 1.004522 -1.482034 0.785138
C 0.820729 1.673621 -1.388063
C -1.598837 2.253288 -1.497499
C 3.801000 -1.353584 -0.227725
C 3.537212 1.085821 0.323423
C -3.788850 -1.406239 1.208490
C -4.493209 0.939475 -0.281118
C -0.228219 2.483548 -1.855658
C -5.144377 -1.012134 1.074251
C -5.493317 0.147326 0.338105
C 3.510793 -2.116535 -1.530422
C 3.910713 0.998391 1.816985
H -0.693570 -2.577988 1.610623
H 1.713224 -2.205400 1.202443
H 1.841410 1.865648 -1.733841
H -2.378910 2.915346 -1.888857
H 4.843440 -0.990032 -0.247310
H 3.722298 -2.043903 0.637125
H 4.440173 1.293034 -0.280005
H 2.838981 1.924306 0.181722
H -3.532464 -2.305186 1.779858
H -4.774048 1.833440 -0.848934
H 0.005403 3.313920 -2.531489
H -5.932518 -1.610208 1.545048
H -6.546984 0.433436 0.247507
H 3.747360 -1.518661 -2.422152
H 2.479873 -2.496310 -1.577545
H 4.655330 0.216911 2.032873
H 3.024830 0.882286 2.459714


