%chk=000225189.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225189

0 1
Br 7.488170 0.507345 -1.323228
Br -7.486116 -0.463651 -1.354944
N 0.666516 0.134545 -0.673410
N -0.665960 -0.110494 -0.678587
C 1.535676 -0.666677 -0.127410
C -1.536433 0.674207 -0.111110
C 1.241034 -1.856789 0.757036
C -1.243957 1.837642 0.808855
C 2.967488 -0.373803 -0.414759
C -2.967576 0.390007 -0.410331
C 1.167147 -1.456614 2.226621
C -1.173564 1.394158 2.266136
C 3.899827 -0.324585 0.633770
C -3.902237 0.309179 0.634173
C 3.388298 -0.150575 -1.735746
C -3.385414 0.206628 -1.738365
C 5.245250 -0.060410 0.367657
C -5.247021 0.053058 0.357245
C 4.733739 0.111216 -2.010241
C -4.730217 -0.046858 -2.023604
C 5.645530 0.151738 -0.953860
C -5.644340 -0.119224 -0.970955
H 2.014580 -2.639505 0.610515
H 0.284311 -2.329738 0.440955
H -2.017150 2.624398 0.683717
H -0.286481 2.319659 0.509194
H 0.889383 -2.310729 2.855228
H 2.132090 -1.075220 2.589722
H 0.414676 -0.664129 2.392785
H -2.138941 1.000755 2.615025
H -0.420353 0.598180 2.410832
H -0.898908 2.229668 2.920569
H 3.571148 -0.491204 1.663069
H -3.575818 0.444758 1.668745
H 2.659504 -0.173537 -2.549312
H -2.654828 0.254116 -2.549252
H 5.967113 -0.020821 1.184216
H -5.970697 -0.011153 1.170629
H 5.057557 0.283333 -3.037840
H -5.051726 -0.187973 -3.056638


%chk=000225189-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225189

0 1
Br 7.596438 0.875575 -0.970486
Br -7.595334 -0.841353 -1.013676
N 0.668789 0.196869 -0.554195
N -0.668400 -0.177058 -0.561384
C 1.567890 -0.701822 -0.167491
C -1.568450 0.709937 -0.150623
C 1.174546 -2.031962 0.455603
C -1.176708 2.021340 0.511807
C 2.996238 -0.331761 -0.344864
C -2.996410 0.345453 -0.342024
C 1.073101 -1.967334 2.005403
C -1.079410 1.912040 2.059339
C 4.042551 -1.144128 0.173149
C -4.043602 1.141130 0.199644
C 3.354425 0.855600 -1.048426
C -3.353189 -0.819241 -1.083105
C 5.398836 -0.794224 -0.005287
C -5.399551 0.797067 0.007822
C 4.700945 1.214936 -1.239166
C -4.699368 -1.172346 -1.287461
C 5.714148 0.382601 -0.712151
C -5.713501 -0.356878 -0.736398
H 1.891359 -2.819298 0.160872
H 0.182825 -2.304073 0.047741
H -1.892640 2.816959 0.237892
H -0.183734 2.304774 0.114768
H 0.791041 -2.954365 2.413700
H 2.031572 -1.665996 2.465422
H 0.302605 -1.239478 2.316171
H -2.039509 1.599319 2.508210
H -0.310861 1.174264 2.350919
H -0.796692 2.886472 2.496425
H 3.812398 -2.059984 0.725909
H -3.814205 2.038696 0.781961
H 2.553475 1.484951 -1.447003
H -2.551371 -1.435743 -1.499602
H 6.192091 -1.428563 0.400057
H -6.193599 1.418242 0.431576
H 4.960803 2.124375 -1.788464
H -4.958242 -2.064093 -1.865482


