%chk=000266709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266709

0 1
Br -7.697813 -0.794780 -0.041192
O 3.740978 1.237805 -2.092958
O 3.215637 -0.934792 -2.128215
N 2.520943 1.058920 0.572710
C 3.604874 0.194539 0.071007
C 4.987450 0.810662 0.414823
C 3.607647 -1.207965 0.728219
C 5.944470 -0.381094 0.560948
C 5.080936 -1.611036 0.901876
C 3.490528 0.036557 -1.469440
C 1.142989 0.767443 0.393988
C 0.665039 -0.455764 -0.113573
C 0.221349 1.758316 0.813589
C -0.707777 -0.690469 -0.175468
C -1.144248 1.509024 0.741205
C -1.624650 0.282381 0.249689
C -3.076387 0.024723 0.179188
C -3.624765 -1.105018 0.809858
C -3.918298 0.907409 -0.518504
C -4.998391 -1.351993 0.747112
C -5.292773 0.666763 -0.587204
C -5.815909 -0.461377 0.048153
H 4.927829 1.372413 1.367216
H 5.325967 1.528215 -0.352963
H 3.052491 -1.946960 0.118801
H 3.091056 -1.163665 1.706660
H 6.699944 -0.190726 1.341712
H 6.505557 -0.548598 -0.376169
H 5.335389 -2.460850 0.243707
H 5.270388 -1.953380 1.933930
H 2.754735 2.055448 0.563935
H 1.349516 -1.224869 -0.473376
H 0.576247 2.708278 1.205631
H 3.650860 1.183292 -3.082166
H -1.071014 -1.640149 -0.572018
H -1.850725 2.270303 1.075027
H -2.976195 -1.788460 1.357561
H -3.496020 1.780007 -1.016226
H -5.419390 -2.228960 1.240266
H -5.941560 1.353306 -1.132339


%chk=000266709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266709

0 1
Br -7.853273 -0.685976 -0.072675
O 3.176968 1.062721 -2.213006
O 3.738113 -1.184629 -2.174020
N 2.584197 0.979839 0.484549
C 3.647047 0.101707 -0.019331
C 5.045068 0.789061 0.220682
C 3.749559 -1.275263 0.734272
C 6.012991 -0.376932 0.510828
C 5.154749 -1.308076 1.400449
C 3.519591 -0.122127 -1.551961
C 1.209983 0.721685 0.380076
C 0.682472 -0.511604 -0.103086
C 0.284547 1.726359 0.792476
C -0.708540 -0.716078 -0.164158
C -1.099334 1.507523 0.721045
C -1.638132 0.278626 0.242658
C -3.105646 0.050889 0.168954
C -3.659769 -1.252411 0.314749
C -4.010312 1.127996 -0.051131
C -5.050493 -1.479213 0.242157
C -5.404598 0.922565 -0.120675
C -5.911713 -0.384381 0.026158
H 4.950859 1.419690 1.127278
H 5.349655 1.436438 -0.619342
H 3.654734 -2.100962 0.008444
H 2.934854 -1.362714 1.471089
H 6.942369 -0.038284 1.001001
H 6.292183 -0.892282 -0.427459
H 5.558128 -2.333107 1.469580
H 5.104220 -0.897865 2.427338
H 2.843598 1.960864 0.600892
H 1.347866 -1.308548 -0.447219
H 0.663763 2.679679 1.181963
H 3.109409 0.884777 -3.189879
H -1.076552 -1.663072 -0.575526
H -1.775067 2.294075 1.075864
H -3.000612 -2.103244 0.518330
H -3.622780 2.141317 -0.202369
H -5.453418 -2.488669 0.364722
H -6.079780 1.764525 -0.298717


