%chk=000239628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239628

0 1
Br 7.541943 -0.939501 3.005616
O -3.451012 -1.204965 1.932967
O -5.918704 1.732397 -0.641880
N -1.133508 -0.753967 -0.065366
N -3.765379 1.326594 -1.342828
N -4.683964 0.260941 0.652246
N -1.394866 0.698897 -1.844101
N 0.749047 -0.506158 -1.695464
N 1.754745 -0.485323 -0.749883
C -2.436714 -0.226330 0.002605
C -2.570250 0.651199 -1.112941
C -3.486484 -0.476363 0.960163
C -0.535425 -0.168808 -1.172637
C -4.870550 1.146128 -0.450917
C -0.546481 -1.675116 0.909189
C -3.897673 2.237101 -2.505886
C -5.860000 0.106396 1.553388
C 2.998172 -0.479879 -1.145946
C 4.065555 -0.586252 -0.129243
C 5.290289 -1.172123 -0.496937
C 3.885482 -0.106469 1.178531
C 6.324511 -1.280438 0.434819
C 4.918689 -0.209901 2.114040
C 6.126527 -0.796200 1.730939
H 0.271779 -1.186154 1.472732
H -1.318484 -2.014514 1.635056
H -0.123070 -2.560751 0.398612
H -3.144567 3.043082 -2.447678
H -4.907968 2.689880 -2.521460
H -3.740481 1.679896 -3.446565
H -5.628143 -0.621571 2.353920
H -6.735321 -0.253015 0.984987
H -6.120240 1.074506 2.015014
H 0.917564 -0.075591 -2.625891
H 3.348420 -0.412940 -2.187555
H 5.437722 -1.550884 -1.508224
H 2.935228 0.348343 1.466144
H 7.272773 -1.738523 0.148166
H 4.775239 0.165276 3.129065


%chk=000239628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239628

0 1
Br 7.919084 -2.132210 2.462188
O -3.494935 -0.627233 2.273862
O -6.224153 1.126430 -1.150629
N -1.095450 -0.124673 0.312430
N -3.918400 1.005056 -1.572620
N -4.838331 0.257287 0.529447
N -1.471416 0.774743 -1.774047
N 0.789441 0.271822 -1.250837
N 1.787534 -0.187450 -0.426437
C -2.489100 0.104222 0.187560
C -2.668512 0.649840 -1.094022
C -3.571062 -0.135480 1.101108
C -0.546392 0.295131 -0.887019
C -5.062727 0.816231 -0.757928
C -0.442195 -0.693606 1.510617
C -4.069189 1.579695 -2.922781
C -6.052183 0.067131 1.356562
C 3.024120 -0.161178 -0.891656
C 4.151923 -0.629014 -0.083950
C 5.464858 -0.581595 -0.630273
C 3.981829 -1.133791 1.238209
C 6.580173 -1.022141 0.112369
C 5.085966 -1.576423 1.989413
C 6.377941 -1.516197 1.417579
H 0.289953 0.018649 1.922604
H -1.235113 -0.892925 2.248166
H 0.081703 -1.628047 1.254866
H -3.492755 2.516686 -3.002462
H -5.139362 1.777133 -3.080624
H -3.696559 0.870117 -3.680527
H -5.731436 -0.379525 2.308884
H -6.763343 -0.595454 0.836857
H -6.547616 1.036331 1.530806
H 0.977686 0.628718 -2.199443
H 3.254476 0.214765 -1.908000
H 5.619136 -0.196841 -1.645721
H 2.975539 -1.173740 1.665996
H 7.584959 -0.980769 -0.317118
H 4.948309 -1.962794 3.003367


