%chk=000261079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261079

0 1
Br -0.110824 1.542397 0.363783
O -0.005208 -3.980880 0.365630
O -1.290639 -1.154383 -1.647025
O 1.381795 -0.969505 1.888392
C -1.176428 -1.917950 0.618791
C 1.241583 -2.033590 -0.231171
C 0.019125 -2.781166 0.265547
C -1.627151 -1.011171 -0.496341
C 1.719144 -0.963101 0.721714
C -2.542802 0.099489 -0.062072
C 2.603764 0.112269 0.178453
C -2.010664 1.328452 0.343086
C -3.930610 -0.076049 -0.083932
C 3.137115 0.082538 -1.117762
C 2.893571 1.198951 1.024118
C -2.837491 2.381941 0.731325
C -4.769524 0.973809 0.305248
C 3.941793 1.133289 -1.566598
C 3.692717 2.249572 0.570588
C -4.225369 2.196431 0.711106
C 4.216797 2.217456 -0.726168
H -2.024049 -2.564726 0.941447
H -0.917166 -1.328619 1.537764
H 0.993964 -1.609749 -1.236300
H 2.067694 -2.758372 -0.414666
H -4.356554 -1.025740 -0.409967
H 2.929610 -0.753847 -1.786007
H 2.491111 1.204550 2.043502
H -2.414901 3.337670 1.045299
H -5.851042 0.837508 0.288329
H 4.353484 1.108452 -2.575114
H 3.909867 3.091223 1.227470
H -4.882542 3.013043 1.012464
H 4.841031 3.037409 -1.082134


%chk=000261079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261079

0 1
Br -2.834133 1.326993 3.180535
O -0.105567 -2.830797 0.994349
O -1.293243 0.341877 -1.012706
O 1.769099 0.513259 1.592505
C -0.998424 -0.586155 1.230437
C 1.173312 -1.114601 -0.147783
C 0.015564 -1.611020 0.711070
C -1.796858 0.114292 0.127872
C 2.098988 -0.085307 0.524758
C -3.253160 0.451160 0.355652
C 3.414886 0.206623 -0.135319
C -3.863904 0.896813 1.558331
C -4.094888 0.296174 -0.786278
C 3.783870 -0.343993 -1.392821
C 4.315697 1.085187 0.528702
C -5.251419 1.146740 1.632253
C -5.480092 0.529092 -0.723817
C 5.029069 -0.022046 -1.972731
C 5.560276 1.400885 -0.048957
C -6.063068 0.948156 0.494135
C 5.920766 0.847170 -1.301842
H -1.667734 -1.086144 1.947834
H -0.404800 0.179376 1.775510
H 0.724588 -0.614186 -1.034164
H 1.751975 -1.991093 -0.485295
H -3.616936 -0.015898 -1.720363
H 3.102667 -1.013193 -1.927781
H 4.011568 1.503853 1.493575
H -5.690456 1.502476 2.568502
H -6.100083 0.386909 -1.614548
H 5.305102 -0.446738 -2.943798
H 6.249586 2.075187 0.470523
H -7.140077 1.133907 0.562624
H 6.889028 1.092644 -1.752165


