%chk=000271216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271216

0 1
Br -4.942764 0.656240 -0.081824
O 2.299274 2.825607 0.039671
N 0.177455 2.062531 0.009153
N -3.668718 -2.051708 -0.135390
C -0.344625 -0.335899 -0.011836
C 1.093510 -0.630645 -0.006865
C -0.773389 1.016197 -0.008736
C 2.019948 0.432315 0.011691
C -1.311934 -1.355508 -0.016502
C 1.577518 1.843106 0.021644
C -2.152003 1.335980 -0.023022
C 1.586079 -1.953199 -0.020766
C -2.681289 -1.051864 -0.026282
C 3.404690 0.175525 0.018467
C -3.076385 0.310237 -0.033505
C 2.955006 -2.198560 -0.014423
C 3.871031 -1.133675 0.006035
H -0.989049 -2.397368 -0.023598
H -0.153138 3.030437 0.008757
H -2.475808 2.378301 -0.029844
H 0.885861 -2.788878 -0.039127
H 4.098953 1.022389 0.033138
H 3.323832 -3.225041 -0.026020
H 4.940967 -1.336427 0.011109
H -3.363617 -2.993562 0.071763
H -4.579402 -1.859929 0.264413


%chk=000271216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271216

0 1
Br -5.009726 0.796587 -0.002112
O 2.358686 2.864119 -0.001388
N 0.189924 2.036488 0.000313
N -3.690193 -2.086387 0.000961
C -0.352077 -0.357348 0.000521
C 1.094171 -0.644922 0.000434
C -0.771064 1.009457 0.000150
C 2.028349 0.441747 0.000349
C -1.349016 -1.363557 -0.000024
C 1.579506 1.859191 0.001356
C -2.150293 1.332121 -0.000918
C 1.618365 -1.970195 0.000318
C -2.738161 -1.073070 0.000626
C 3.425431 0.197252 -0.000219
C -3.104897 0.308571 -0.000272
C 3.004017 -2.203909 -0.000207
C 3.918356 -1.117462 -0.000518
H -1.054617 -2.418104 -0.001660
H -0.121575 3.012263 -0.000320
H -2.471730 2.378657 -0.001889
H 0.940342 -2.829206 0.000623
H 4.091654 1.066136 -0.000207
H 3.379644 -3.233194 -0.000383
H 4.997093 -1.305142 -0.000868
H -3.408300 -3.061505 0.006477
H -4.681886 -1.861985 -0.003043


