%chk=000263601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263601

0 1
Br 7.083578 1.301283 0.001549
O 3.404949 -1.655983 0.001194
O 0.671934 -1.884918 0.010744
O -3.695042 2.772706 -0.012181
O -1.555790 2.521767 -0.010298
N -0.470872 0.150539 0.000699
N 1.897509 0.102521 0.002951
N -2.704678 2.064729 -0.008628
C -1.801110 -0.314803 0.002384
C -2.877638 0.618864 -0.002175
C 4.302704 0.595563 0.004257
C -2.107189 -1.699438 0.008556
C -4.216051 0.141746 -0.000449
C 3.219771 -0.469008 0.002462
C 0.698548 -0.679616 0.005055
C -3.419822 -2.134319 0.010120
C -4.487346 -1.210911 0.005606
C 5.673208 -0.063220 -0.001938
H 4.195596 1.257516 0.894051
H 4.191763 1.265970 -0.878598
H -0.351779 1.192993 -0.004449
H -1.290477 -2.436621 0.012085
H -5.030421 0.878568 -0.004057
H -3.637337 -3.206144 0.014905
H 1.814784 1.124809 0.001687
H -5.515316 -1.571197 0.006911
H 5.824803 -0.695829 -0.897687
H 5.828622 -0.704466 0.887044


%chk=000263601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263601

0 1
Br 6.988916 1.624127 -0.000536
O 3.552251 -1.728649 0.002855
O 0.685826 -2.100096 0.011100
O -3.508937 2.870779 -0.012784
O -1.280782 2.438095 -0.009797
N -0.438982 -0.013391 0.002295
N 1.883151 -0.053052 0.004258
N -2.535877 2.031023 -0.008445
C -1.782908 -0.407009 0.003262
C -2.823409 0.593783 -0.001946
C 4.241310 0.634769 0.003844
C -2.188818 -1.774989 0.009183
C -4.195557 0.228839 -0.001149
C 3.221691 -0.521164 0.003032
C 0.698559 -0.848261 0.006684
C -3.550084 -2.117416 0.009889
C -4.563302 -1.121777 0.004751
C 5.670536 0.085628 -0.003383
H 4.083418 1.271349 0.896075
H 4.077234 1.278984 -0.881750
H -0.347120 1.025137 -0.002871
H -1.414329 -2.543366 0.012990
H -4.940605 1.028192 -0.005284
H -3.827914 -3.176778 0.014493
H 1.768403 0.964931 0.003427
H -5.620159 -1.403374 0.005350
H 5.894317 -0.497391 -0.906797
H 5.900072 -0.505820 0.893054


