%chk=000251076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251076

0 1
Br -7.144068 -1.679491 0.443701
O 0.764615 0.790844 -1.824132
O -0.529288 0.307064 1.447614
N -1.337918 -0.105710 -0.672812
C 1.034712 0.571820 -0.418697
C 1.762218 1.778171 0.145636
C 1.887549 -0.682007 -0.325297
C -0.348674 0.261904 0.245662
C 2.833474 2.291850 -0.608385
C 2.171542 -1.222684 0.937869
C 1.433424 2.369855 1.369098
C 2.396517 -1.285103 -1.481596
C -2.683146 -0.472793 -0.360152
C 3.546121 3.400331 -0.152056
C 2.965488 -2.366824 1.037998
C 2.151969 3.481654 1.823992
C 3.190226 -2.431033 -1.373750
C 3.203479 4.000682 1.065828
C 3.475695 -2.971728 -0.116469
C -3.522307 -0.827368 -1.439870
C -3.178835 -0.483127 0.956345
C -4.847272 -1.185898 -1.196343
C -4.506022 -0.843175 1.191237
C -5.328161 -1.189730 0.116165
H 3.112534 1.809883 -1.547243
H 1.766640 -0.751316 1.837095
H 0.621765 1.966950 1.986306
H 2.169635 -0.858221 -2.460599
H -1.069161 -0.150327 -1.669734
H 0.640778 1.750990 -2.006186
H 4.373718 3.794711 -0.739762
H 3.186341 -2.788558 2.017578
H 1.887584 3.938867 2.777017
H 3.585797 -2.901776 -2.272213
H 3.760159 4.866254 1.422101
H 4.094312 -3.864036 -0.034616
H -3.146657 -0.826331 -2.461208
H -2.527890 -0.213666 1.796798
H -5.497345 -1.460542 -2.029280
H -4.890248 -0.851487 2.213656


%chk=000251076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251076

0 1
Br -7.226852 -1.641000 0.534915
O 0.708737 0.773138 -1.849567
O -0.290622 -0.085832 1.563420
N -1.341867 -0.010026 -0.545726
C 1.069697 0.470358 -0.426284
C 1.725261 1.724346 0.173884
C 1.977424 -0.775256 -0.392333
C -0.265147 0.103930 0.311343
C 3.110627 1.951363 -0.038501
C 2.483961 -1.242243 0.848178
C 0.957381 2.720545 0.829104
C 2.295564 -1.472683 -1.580815
C -2.674520 -0.390357 -0.245847
C 3.714395 3.153293 0.390391
C 3.304104 -2.389401 0.891693
C 1.563214 3.919813 1.262494
C 3.120292 -2.620671 -1.533905
C 2.942047 4.142283 1.041920
C 3.627928 -3.082674 -0.299055
C -3.606796 -0.422233 -1.317852
C -3.103052 -0.736218 1.064354
C -4.948306 -0.790795 -1.094170
C -4.446509 -1.105726 1.288435
C -5.356527 -1.129267 0.212742
H 3.715287 1.178706 -0.526399
H 2.219640 -0.714790 1.770513
H -0.107252 2.553089 1.021711
H 1.894298 -1.110345 -2.531362
H -1.102443 0.231215 -1.518610
H 1.130648 1.631570 -2.101407
H 4.784949 3.314441 0.222778
H 3.688764 -2.743576 1.854610
H 0.961630 4.677590 1.776198
H 3.362107 -3.152962 -2.460906
H 3.410603 5.072786 1.381111
H 4.265556 -3.973213 -0.262605
H -3.285041 -0.161433 -2.333256
H -2.386667 -0.712751 1.887598
H -5.659018 -0.813862 -1.924823
H -4.774192 -1.372252 2.297329


