%chk=000248116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248116

0 1
Br 5.215392 3.257972 0.000440
O -4.814950 -2.269037 0.000685
O -5.089161 2.346697 -0.000730
N -2.968977 1.451125 -0.000758
N -4.958700 0.033827 0.000044
N -1.746152 -1.921448 0.000091
N -0.802363 0.193331 -0.000751
N 0.687485 -1.819749 -0.000632
N 1.812900 -1.045586 -0.000299
C -2.801848 -0.982602 0.000010
C -2.194588 0.298596 -0.000504
C -4.225393 -1.207286 0.000387
C -4.399643 1.345712 -0.000469
C -0.558160 -1.163659 -0.000428
C -2.325243 2.787394 -0.001122
C -6.446940 -0.026651 0.000255
C 4.194268 -0.792641 -0.000007
C 2.979986 -1.633488 -0.000201
C 4.122719 0.611785 0.000095
C 5.449586 -1.428490 0.000077
C 5.307147 1.348068 0.000289
C 6.620499 -0.667723 0.000272
C 6.559577 0.730147 0.000382
H -1.885613 -2.916087 0.000259
H -3.096110 3.581684 -0.002122
H -1.687305 2.903693 -0.896032
H -1.688511 2.904797 0.894494
H -6.781136 -1.081726 0.000370
H -6.852439 0.476647 -0.894461
H -6.852185 0.476750 0.895025
H 0.706938 -2.843667 -0.000364
H 3.161115 -2.718328 -0.000280
H 3.145954 1.110562 0.000019
H 5.515494 -2.515415 -0.000010
H 7.590918 -1.164530 0.000340
H 7.476739 1.320129 0.000537


%chk=000248116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248116

0 1
Br 5.400259 3.308700 -0.000193
O -4.825842 -2.360483 0.000235
O -5.172636 2.355279 -0.000544
N -3.012215 1.434127 -0.000565
N -4.977065 0.019319 -0.000242
N -1.753342 -1.887808 0.000073
N -0.857077 0.219796 -0.000374
N 0.657657 -1.704286 -0.000013
N 1.791435 -0.926614 -0.000019
C -2.835683 -0.988477 -0.000143
C -2.246595 0.282253 -0.000368
C -4.246924 -1.228105 -0.000083
C -4.429108 1.333033 -0.000495
C -0.597261 -1.112535 -0.000110
C -2.372891 2.764165 -0.000736
C -6.456065 -0.051958 -0.000106
C 4.209838 -0.772670 0.000046
C 2.958868 -1.539163 0.000043
C 4.197333 0.653298 -0.000053
C 5.454085 -1.460610 0.000145
C 5.417835 1.343318 -0.000052
C 6.666702 -0.740028 0.000145
C 6.663477 0.673833 0.000046
H -1.854508 -2.902401 0.000291
H -3.174656 3.516611 -0.001520
H -1.739238 2.879315 -0.895801
H -1.740325 2.880138 0.895001
H -6.731235 -1.117024 -0.000085
H -6.860364 0.452353 -0.893000
H -6.860219 0.452320 0.892877
H 0.717755 -2.733528 0.000039
H 3.048905 -2.644966 0.000100
H 3.237019 1.176271 -0.000131
H 5.469369 -2.557286 0.000222
H 7.623360 -1.272801 0.000222
H 7.600653 1.237419 0.000045


