%chk=000229364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229364

0 1
Br -2.936112 1.745531 -2.536791
Br -4.837534 0.495242 0.195507
N -0.286806 1.506526 2.619021
C 0.120956 0.470695 0.234887
C -0.723665 1.267035 -0.805801
C -0.256561 -1.008086 0.159308
C 1.625608 0.667397 -0.006241
C -2.192054 0.848832 -0.913612
C -0.121007 1.037809 1.577001
C -0.909403 -1.664808 1.209402
C 2.527859 -0.335934 0.380078
C 0.044650 -1.715557 -1.017894
C 2.119603 1.858959 -0.556021
C -3.023232 1.232621 0.293416
C -1.262101 -3.013345 1.081462
C 3.900918 -0.160739 0.190468
C -0.309345 -3.059682 -1.140526
C 3.494298 2.030259 -0.745604
C -0.965904 -3.712316 -0.090691
C 4.387808 1.020708 -0.377147
H -0.652211 2.354396 -0.589363
H -0.237004 1.133495 -1.800538
H -2.282653 -0.243743 -1.137740
H -1.150505 -1.146401 2.137606
H 2.164311 -1.259878 0.833441
H 0.563172 -1.215663 -1.836524
H 1.446170 2.669128 -0.833144
H -3.124249 2.328399 0.415341
H -2.588347 0.830226 1.229861
H -1.772620 -3.516333 1.902850
H 4.592972 -0.947114 0.490243
H -0.074367 -3.601527 -2.056290
H 3.868212 2.957833 -1.177963
H -1.244514 -4.760572 -0.188594
H 5.458060 1.155806 -0.525808


%chk=000229364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229364

0 1
Br -3.022595 1.788396 -2.500492
Br -4.958511 0.801383 0.469361
N -0.325457 1.305281 2.741675
C 0.108636 0.424530 0.249168
C -0.767526 1.259574 -0.767949
C -0.236395 -1.082673 0.114875
C 1.633557 0.665780 -0.004469
C -2.281056 0.941452 -0.784752
C -0.145722 0.901709 1.632699
C -0.916767 -1.799368 1.127787
C 2.564736 -0.167381 0.668517
C 0.108906 -1.750000 -1.088953
C 2.120767 1.699133 -0.840018
C -3.056384 1.478786 0.413359
C -1.251559 -3.160808 0.939458
C 3.951441 0.022284 0.503584
C -0.228246 -3.106077 -1.277564
C 3.512907 1.885944 -1.009643
C -0.912139 -3.817802 -0.263147
C 4.432881 1.051126 -0.339977
H -0.622328 2.339789 -0.585725
H -0.377010 1.037447 -1.775991
H -2.465830 -0.132290 -0.939582
H -1.182354 -1.304220 2.069004
H 2.200007 -0.969464 1.320211
H 0.655954 -1.212617 -1.872701
H 1.436305 2.369736 -1.367275
H -3.127007 2.576561 0.412663
H -2.616264 1.126780 1.358934
H -1.778297 -3.702309 1.732585
H 4.655090 -0.630059 1.031946
H 0.044464 -3.608360 -2.212043
H 3.873691 2.688248 -1.662569
H -1.173768 -4.871310 -0.409302
H 5.510276 1.199996 -0.470073


