%chk=000254297.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254297

0 1
Br -5.496705 -1.456497 -2.235896
O -0.785069 -2.323802 0.629683
O -0.199671 2.030733 1.083486
O 1.469816 -0.943694 1.798426
O 0.756286 1.128331 -2.295861
O -1.619755 -0.849220 2.143373
O -2.326449 1.818643 0.340271
N 0.738988 0.002232 -0.228643
C -0.724757 -0.034652 -0.011395
C -1.450652 -0.416537 -1.323727
C -2.948332 -0.689858 -1.130834
C 1.729323 -0.417486 0.751831
C 1.356673 0.649347 -1.371102
C -1.087241 -1.073409 1.087695
C -1.220080 1.360931 0.473110
C 3.051090 -0.067380 0.137873
C 2.831334 0.560339 -1.117805
C -3.603158 -0.961890 -2.475642
C 4.325373 -0.273384 0.622054
C 3.884425 0.985959 -1.899299
C 5.409115 0.163005 -0.176861
C 5.194225 0.776467 -1.405821
C -1.037802 -3.454921 1.534373
C -0.488581 3.362995 1.632939
C -2.516148 -3.772243 1.560253
C -0.541566 4.378876 0.513866
H -1.305275 0.395247 -2.073488
H -0.956108 -1.318833 -1.745448
H -3.098395 -1.550968 -0.445343
H -3.437949 0.181891 -0.632748
H -3.129116 -1.800611 -3.013182
H -3.592958 -0.072200 -3.129750
H 4.497625 -0.753863 1.586488
H 3.719485 1.468348 -2.863920
H 6.427137 0.011340 0.187052
H 6.043486 1.106203 -2.007268
H -0.632700 -3.197382 2.529861
H -0.426066 -4.236419 1.047858
H 0.378359 3.489926 2.306989
H -1.430724 3.303937 2.207028
H -3.089942 -2.964883 2.042745
H -2.925424 -3.901623 0.549840
H -2.718477 -4.693154 2.120728
H 0.343678 4.320684 -0.132194
H -1.420969 4.217252 -0.129604
H -0.605754 5.401920 0.903511


%chk=000254297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254297

0 1
Br -5.556229 -1.681838 -2.384049
O -0.819075 -2.289349 0.656370
O -0.240272 2.032255 1.129698
O 1.436353 -0.982675 1.743418
O 0.732420 1.371090 -2.281388
O -1.717348 -0.689730 2.104760
O -2.340717 1.924659 0.128877
N 0.705706 0.017102 -0.305292
C -0.762853 0.006334 -0.086219
C -1.503915 -0.429304 -1.396943
C -3.005483 -0.769751 -1.209043
C 1.683599 -0.435044 0.644349
C 1.329776 0.735518 -1.378116
C -1.128373 -1.000073 1.050812
C -1.227800 1.420559 0.381525
C 3.013012 -0.100667 0.050154
C 2.801712 0.597871 -1.159857
C -3.611407 -1.111929 -2.572487
C 4.305012 -0.364996 0.528749
C 3.873830 1.060033 -1.937936
C 5.398001 0.092266 -0.252416
C 5.185716 0.793863 -1.467101
C -1.031621 -3.359809 1.685904
C -0.576595 3.373246 1.713045
C -2.474039 -3.870242 1.661070
C -0.259761 4.488419 0.714408
H -1.388319 0.380697 -2.136295
H -0.969937 -1.319870 -1.776988
H -3.125381 -1.634140 -0.532115
H -3.536286 0.088645 -0.767572
H -3.120871 -1.969544 -3.060194
H -3.641622 -0.248235 -3.254776
H 4.455987 -0.900778 1.470960
H 3.697159 1.604779 -2.870538
H 6.422240 -0.095139 0.087022
H 6.049277 1.136543 -2.046939
H -0.760471 -2.939652 2.669570
H -0.307382 -4.136298 1.393349
H 0.055339 3.421782 2.613481
H -1.643921 3.367270 1.994005
H -3.178363 -3.081079 1.972187
H -2.753813 -4.227383 0.654597
H -2.574910 -4.717460 2.364874
H 0.796185 4.447374 0.395959
H -0.904344 4.413768 -0.177021
H -0.439620 5.470612 1.189642


