%chk=000250054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250054

0 1
Br 4.161653 2.163316 0.682888
O 6.106107 -0.265353 -0.146882
N 0.173684 0.501336 0.022489
N 1.471594 0.933415 0.197555
N 4.485738 -1.758669 -0.708902
N 3.217791 -2.155367 -0.874989
C -3.846613 -1.008079 0.538760
C -2.186431 0.702096 0.053306
C -4.746016 -0.379096 -0.352018
C -2.570574 -0.462297 0.731721
C -3.074550 1.324375 -0.834135
C -4.344938 0.781119 -1.030860
C -0.837304 1.288967 0.276446
C -4.236758 -2.249375 1.273861
C -6.113266 -0.936265 -0.581365
C -0.782687 2.703828 0.763608
C 2.485941 0.036638 -0.107664
C 3.802975 0.431591 0.057530
C 2.237106 -1.318716 -0.595715
C 4.912176 -0.444610 -0.233523
H -1.866264 -0.948362 1.407358
H -2.775416 2.220004 -1.375067
H -5.031299 1.265539 -1.724540
H -3.438940 -2.622283 1.929795
H -5.120271 -2.079803 1.905790
H -4.483883 -3.063656 0.576913
H -6.688708 -0.982466 0.354537
H -6.701336 -0.340161 -1.291236
H -6.063878 -1.958569 -0.984538
H -0.221763 2.792753 1.705561
H -0.319799 3.373902 0.024584
H -1.786887 3.107893 0.968628
H 1.687921 1.886290 0.522245
H 1.202968 -1.665170 -0.742315
H 5.202429 -2.460566 -0.945827


%chk=000250054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250054

0 1
Br 4.250741 2.340946 0.163464
O 6.173393 -0.230389 0.095806
N 0.117970 0.440083 -0.000350
N 1.422883 0.907929 0.040798
N 4.490157 -1.849642 -0.011641
N 3.208858 -2.326132 -0.062999
C -3.782597 -1.138449 0.214641
C -2.247140 0.799757 -0.018087
C -4.902702 -0.297007 -0.083920
C -2.488728 -0.580962 0.241594
C -3.366706 1.622002 -0.313839
C -4.665951 1.073098 -0.345402
C -0.862774 1.337005 0.014601
C -3.982026 -2.615441 0.504290
C -6.311983 -0.856002 -0.118341
C -0.592185 2.832513 0.073615
C 2.483647 0.017076 0.024531
C 3.817540 0.446671 0.072050
C 2.235331 -1.414109 -0.045235
C 4.935203 -0.485847 0.056807
H -1.629636 -1.217887 0.474655
H -3.240447 2.684929 -0.543691
H -5.516120 1.723954 -0.581742
H -3.022401 -3.112696 0.722920
H -4.651392 -2.774110 1.371681
H -4.446221 -3.138496 -0.354021
H -6.601134 -1.290629 0.858196
H -7.047428 -0.073772 -0.370977
H -6.408915 -1.667665 -0.865038
H 0.047827 3.084531 0.943626
H -0.074266 3.190407 -0.838944
H -1.516241 3.414666 0.183812
H 1.648345 1.911895 0.077069
H 1.210628 -1.781573 -0.089939
H 5.224972 -2.562453 -0.025991


