%chk=000254688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254688

0 1
Br 0.823743 -3.308636 1.797231
O -1.968614 -0.931458 1.151967
O -2.613340 -2.123554 -1.772956
O -2.871809 1.290672 -1.483823
O -2.254457 2.614729 0.446539
N 0.157258 -1.100894 0.149828
N 2.331435 -1.137966 0.958496
N 0.312569 1.066647 -1.130681
N 2.526759 2.101275 -0.993358
N 4.320347 1.145955 0.216725
C -1.947764 -0.968439 -1.251898
C -1.267295 -1.491137 0.036543
C -2.995022 0.081610 -0.776727
C -2.790971 0.204301 0.757809
C -2.087868 1.467532 1.282788
C 0.793955 0.062790 -0.330239
C 1.157273 -1.750487 0.933099
C 2.145173 0.015869 0.170940
C 3.018077 1.085367 -0.191750
C 1.227582 2.040067 -1.409448
H -1.259389 -0.549548 -2.017844
H -1.371638 -2.602296 0.159675
H -4.029236 -0.257875 -1.024139
H -3.739867 0.013210 1.307180
H -0.986596 1.332196 1.310273
H -2.439997 1.720168 2.300280
H -2.870243 -1.970139 -2.709159
H -1.974830 1.727718 -1.303155
H -3.202137 2.736759 0.201405
H 0.882032 2.876607 -2.043695
H 4.703537 0.424513 0.810105
H 4.910534 1.919349 -0.050412


%chk=000254688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254688

0 1
Br 1.017556 -3.658653 1.288565
O -1.662016 -0.360118 1.237990
O -2.730701 -2.227850 -1.244317
O -2.117148 1.462899 -1.329485
O -3.891316 2.513549 0.461417
N 0.334856 -1.051572 0.148674
N 2.589058 -1.372055 0.525281
N 0.451979 1.274703 -0.759888
N 2.739328 2.137863 -0.854758
N 4.605311 0.874907 -0.150630
C -1.902581 -1.023094 -1.095866
C -1.118572 -1.271492 0.228690
C -2.755423 0.252688 -0.831923
C -2.931957 0.237560 0.711169
C -3.096652 1.644778 1.330330
C 0.982639 0.128697 -0.244451
C 1.368773 -1.901150 0.614113
C 2.363493 -0.091253 -0.012732
C 3.257908 0.969963 -0.335916
C 1.396041 2.227943 -1.038634
H -1.240086 -0.878314 -1.970908
H -1.270918 -2.324155 0.527231
H -3.732486 0.191005 -1.339976
H -3.766924 -0.439416 0.977620
H -2.082686 2.056697 1.512356
H -3.638270 1.595751 2.287797
H -3.293947 -2.141685 -2.054006
H -1.102599 1.459518 -1.084074
H -3.362408 2.586481 -0.387968
H 1.024982 3.167926 -1.455730
H 5.009205 0.024046 0.236737
H 5.194762 1.668739 -0.395107


