%chk=000240470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240470

0 1
Br 5.633965 0.170879 -2.324000
O -0.099729 0.993502 -0.589559
O -2.807297 0.314488 -1.465161
O -4.182854 -1.677021 0.230302
O 1.208697 0.220508 2.933328
C -0.376533 -0.348747 1.282691
C -0.930667 0.149644 0.082715
C -2.245763 -0.210511 -0.303774
C 0.984540 0.004624 1.759676
C -1.159557 -1.189568 2.098327
C -2.960150 -1.136867 0.485778
C 2.095526 0.039625 0.750575
C -2.417557 -1.610202 1.704307
C 2.198446 -0.948372 -0.238065
C 3.055767 1.057464 0.834516
C 3.256122 -0.917209 -1.151765
C 4.111402 1.103040 -0.081607
C 4.194122 0.113678 -1.062835
C -0.368933 1.318822 -1.981358
C -3.534374 1.554856 -1.217848
C -4.806258 -1.461890 -1.064904
H -0.742366 -1.524786 3.055067
H -3.007009 -2.295662 2.310701
H 1.452200 -1.742360 -0.296589
H 2.978370 1.811285 1.621914
H 3.340989 -1.688390 -1.917651
H 4.855780 1.897551 -0.019565
H -1.042863 2.178665 -2.011324
H -0.792994 0.465082 -2.520071
H 0.634546 1.574493 -2.345500
H -2.860600 2.313798 -0.810300
H -4.368269 1.372373 -0.534501
H -3.884719 1.822143 -2.219675
H -5.302033 -0.487697 -1.059265
H -5.529715 -2.285368 -1.103599
H -4.071830 -1.525870 -1.875681


%chk=000240470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240470

0 1
Br 5.883268 0.106747 -2.203067
O -0.393197 1.223340 -0.650132
O -3.071379 0.460097 -1.354344
O -4.366939 -1.607520 0.290664
O 1.157048 0.357315 2.894104
C -0.434379 -0.307517 1.223847
C -1.058118 0.198975 0.050000
C -2.394284 -0.175159 -0.278153
C 0.938625 0.102138 1.667690
C -1.177192 -1.181099 2.064258
C -3.074013 -1.138799 0.521530
C 2.077050 0.131359 0.688222
C -2.457385 -1.622747 1.705893
C 2.116269 -0.726747 -0.440092
C 3.191299 0.966768 0.959564
C 3.241544 -0.748474 -1.292458
C 4.312794 0.975390 0.106625
C 4.322315 0.113852 -1.012397
C -0.271158 1.101141 -2.123109
C -3.542297 1.825329 -1.004619
C -4.894556 -1.696297 -1.086941
H -0.709023 -1.526002 2.991306
H -3.014232 -2.335083 2.320680
H 1.278120 -1.404100 -0.638032
H 3.164900 1.604513 1.848897
H 3.279434 -1.425953 -2.150322
H 5.163506 1.631978 0.309366
H -1.252355 0.908894 -2.587296
H 0.439488 0.291626 -2.369844
H 0.141627 2.066380 -2.452248
H -2.687506 2.468279 -0.727156
H -4.265676 1.778373 -0.169290
H -4.032865 2.211181 -1.911468
H -5.258373 -0.718686 -1.439320
H -5.723569 -2.417621 -1.014831
H -4.120391 -2.065873 -1.782226


