%chk=000187426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187426

0 1
Br -2.220369 -3.167219 0.760480
O 0.415058 -3.469005 -0.497452
O 3.137195 -2.802504 0.392952
C 0.214769 0.182405 0.012519
C 0.771704 -2.297555 0.250639
C -0.247452 -1.184187 0.149992
C 2.190518 -1.941234 -0.265086
C 1.630076 0.492757 0.036122
C 2.623636 -0.530628 0.013852
C -0.714060 1.229693 -0.058748
C 2.057454 1.840005 0.101611
C -2.135586 0.943073 -0.082041
C -1.590650 -1.423232 0.271424
C -2.582008 -0.390433 0.094992
C -0.247603 2.593300 -0.072095
C 3.962387 -0.224093 0.156502
C 1.076630 2.890636 0.027321
C 3.443839 2.139952 0.235536
C 4.374137 1.125571 0.284947
C -3.099929 1.975373 -0.270195
C -3.982393 -0.656754 0.080180
C -4.447496 1.693753 -0.281378
C -4.893022 0.360579 -0.103793
H 0.828339 -2.679003 1.305136
H 2.253568 -2.143412 -1.364776
H -0.991618 3.390555 -0.144168
H 4.706049 -1.025663 0.171629
H 1.422968 3.924024 0.048871
H 3.753167 3.182069 0.302903
H 5.434120 1.345047 0.409435
H -0.048304 -3.240849 -1.330408
H -2.752571 3.001489 -0.409340
H 2.879002 -3.742970 0.243520
H -4.345278 -1.678615 0.209563
H -5.181368 2.485760 -0.426968
H -5.962308 0.151415 -0.115981


%chk=000187426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187426

0 1
Br -2.287511 -3.189756 0.877876
O 0.494195 -3.626482 -0.165699
O 3.177363 -2.908873 0.006552
C 0.223588 0.184471 0.025682
C 0.833103 -2.282095 0.355083
C -0.237603 -1.197815 0.179324
C 2.165354 -1.915623 -0.332509
C 1.649497 0.497993 0.063405
C 2.643817 -0.529387 0.004905
C -0.720742 1.255749 -0.046346
C 2.087983 1.866303 0.158462
C -2.146884 0.964551 -0.108458
C -1.609787 -1.426788 0.292153
C -2.604681 -0.392510 0.079354
C -0.241648 2.616048 -0.012315
C 4.003807 -0.228141 0.134677
C 1.104193 2.912850 0.115695
C 3.483092 2.156380 0.281172
C 4.426361 1.123628 0.294958
C -3.125591 1.982909 -0.337950
C -4.009481 -0.662934 0.045849
C -4.493000 1.693114 -0.375803
C -4.939373 0.356281 -0.178061
H 1.021187 -2.464246 1.430583
H 1.963524 -1.951406 -1.432668
H -0.959554 3.439117 -0.043927
H 4.727250 -1.047063 0.097126
H 1.438196 3.954570 0.183260
H 3.799813 3.202693 0.362460
H 5.492571 1.349600 0.402859
H 0.024448 -3.530442 -1.033847
H -2.804575 3.014127 -0.506344
H 2.736503 -3.794031 -0.101746
H -4.355416 -1.689171 0.191494
H -5.218321 2.492377 -0.561934
H -6.009079 0.124103 -0.207628


