%chk=000179066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179066

0 1
Br 0.489092 2.057772 0.814978
O 3.751779 0.936361 1.164677
N -0.128120 -0.454609 -0.186030
N 0.356371 -1.663147 -0.608949
N 4.433665 -0.197867 -0.695614
C -1.553714 -0.206841 -0.140423
C 0.910668 0.396838 0.169730
C 2.108459 -0.291338 -0.052125
C -2.092935 0.873968 -0.856393
C -2.372080 -1.064447 0.611306
C -4.301327 0.266388 -0.036508
C -3.466193 1.106546 -0.793699
C -3.744442 -0.820729 0.658187
C 1.712355 -1.581855 -0.537180
C 3.466621 0.216049 0.221959
C -5.772052 0.515251 0.012569
C 5.839378 0.228081 -0.549574
H -1.452467 1.521066 -1.457213
H -1.938504 -1.912953 1.144506
H -3.892958 1.945883 -1.341914
H -4.386618 -1.482355 1.238969
H 2.354763 -2.407111 -0.801916
H -6.220561 0.192538 0.962480
H -6.023588 1.577400 -0.112838
H -6.286840 -0.035382 -0.790361
H 4.204214 -0.739626 -1.517433
H 5.964742 0.835189 0.371271
H 6.156110 0.846505 -1.405074
H 6.503785 -0.647675 -0.469688


%chk=000179066-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179066

0 1
Br 0.689714 2.388544 0.683950
O 3.815078 1.373684 0.823973
N -0.121096 -0.289125 -0.176578
N 0.360299 -1.570515 -0.502912
N 4.491712 -0.325441 -0.624521
C -1.546359 -0.093311 -0.124787
C 0.928884 0.585817 0.082735
C 2.135107 -0.120558 -0.106377
C -2.149016 1.049774 -0.696103
C -2.343462 -1.095144 0.474841
C -4.372241 0.213614 -0.027604
C -3.550485 1.198382 -0.632918
C -3.742374 -0.935005 0.519519
C 1.714016 -1.442886 -0.462406
C 3.523825 0.386600 0.080004
C -5.882362 0.365716 0.003779
C 5.918258 -0.002257 -0.524361
H -1.538967 1.807716 -1.194832
H -1.861127 -1.983548 0.891612
H -4.012553 2.089890 -1.072944
H -4.354857 -1.712591 0.990896
H 2.326129 -2.323241 -0.655341
H -6.320182 -0.120041 0.893405
H -6.183819 1.427671 0.010648
H -6.345900 -0.102177 -0.886577
H 4.193316 -1.042157 -1.286758
H 6.020331 0.808632 0.214533
H 6.323252 0.348187 -1.492150
H 6.504478 -0.876330 -0.185025


