%chk=000297604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297604

0 1
Br -5.966825 2.641801 0.577524
N 1.829005 -0.421305 0.063630
N -1.449044 -1.392508 -0.247778
N -0.201512 -3.101948 0.348737
N -1.265376 -2.497776 0.568329
C -0.207173 -1.158465 -1.081604
C 0.646383 -2.415828 -0.698457
C 0.618642 0.072039 -0.667684
C 1.968981 -1.902609 -0.111698
C 3.012053 0.372083 0.002268
C -2.480121 -0.436543 -0.027314
C 4.268864 -0.199288 0.305970
C 2.926529 1.762514 -0.236930
C -2.610520 0.656836 -0.907256
C -3.396179 -0.610145 1.033398
C 5.404327 0.608442 0.360477
C 4.076229 2.549927 -0.176830
C -3.651784 1.569299 -0.722837
C -4.431345 0.304644 1.206743
C 5.319879 1.982155 0.114499
C -4.550305 1.388995 0.329661
H -0.501617 -1.132905 -2.152175
H 0.803458 -3.123294 -1.541091
H 0.876394 0.682214 -1.559954
H 0.058233 0.732816 0.035522
H 2.166115 -2.342257 0.895841
H 2.820424 -2.181329 -0.768432
H 4.365213 -1.259029 0.521869
H 1.973057 2.237923 -0.444536
H -1.924481 0.796142 -1.738216
H -3.298035 -1.458922 1.714122
H 6.369059 0.159970 0.599054
H 4.000393 3.622186 -0.358904
H -3.754947 2.415637 -1.405296
H -5.141541 0.171176 2.026384
H 6.210370 2.602652 0.155862


%chk=000297604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297604

0 1
Br -6.181759 2.568148 0.467719
N 1.923089 -0.495361 -0.392989
N -1.295455 -1.211592 -0.018097
N -0.020492 -2.936737 0.631337
N -1.047036 -2.214761 0.944984
C -0.264664 -1.196232 -1.090201
C 0.583548 -2.446367 -0.688807
C 0.697844 0.021480 -1.021702
C 2.034443 -1.960212 -0.491989
C 3.026194 0.326408 -0.121706
C -2.404759 -0.348360 0.100711
C 4.275719 -0.232637 0.287212
C 2.930466 1.747073 -0.241279
C -2.650032 0.637680 -0.892921
C -3.292771 -0.460760 1.206672
C 5.370978 0.602695 0.584871
C 4.035761 2.567811 0.060695
C -3.764405 1.497175 -0.786290
C -4.402316 0.398626 1.312426
C 5.265712 2.009076 0.478499
C -4.632020 1.372311 0.315632
H -0.747304 -1.285656 -2.077414
H 0.520660 -3.288147 -1.396719
H 0.889386 0.424788 -2.042534
H 0.256629 0.837461 -0.418869
H 2.451366 -2.398112 0.433568
H 2.682882 -2.275091 -1.339780
H 4.393488 -1.317084 0.375743
H 1.994901 2.213513 -0.565585
H -1.985087 0.744292 -1.755680
H -3.104852 -1.219563 1.969648
H 6.316748 0.147121 0.900731
H 3.932847 3.655118 -0.034487
H -3.946929 2.251847 -1.556502
H -5.080758 0.307291 2.165462
H 6.120782 2.652057 0.710537


