%chk=000081010.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000081010

0 1
Br 2.487013 -1.440428 -0.468271
O -3.355760 1.385561 0.991993
O -6.478263 0.208715 -0.984383
O -8.260499 -1.107289 -1.427252
O -7.275655 2.221138 1.262542
O -0.388296 -2.855110 -2.409383
O 4.531295 4.134218 1.701861
O 2.828002 3.007321 2.411887
O 8.171745 1.750596 -0.435018
O 7.787652 -0.141189 -1.413885
N -4.156252 -0.965882 0.009585
N 0.572895 -2.454544 -0.319384
N 1.381955 -0.060453 0.870232
N 1.961574 1.031587 0.599521
N 3.828812 3.136899 1.734046
N 7.444456 0.825693 -0.752977
C -2.769401 -0.714745 0.116526
C -4.624750 -1.746571 -1.174034
C -2.320178 0.523403 0.700892
C -0.439634 -1.431312 0.015891
C -1.804563 -1.670894 -0.217908
C -6.095860 -2.130292 -0.978339
C -0.026076 -0.208236 0.580417
C -0.976656 0.774876 0.923115
C -7.084929 -1.014099 -1.168879
C -7.303005 1.411715 -1.047440
C 0.365064 -3.236390 -1.553238
C 3.378243 0.971075 0.519547
C 4.257325 2.001086 0.894063
C -3.011689 2.753753 1.335228
C -8.082736 1.596302 0.253312
C 3.875069 -0.150070 -0.226584
C 5.597916 1.953700 0.457980
C 6.040665 0.874258 -0.303779
C 5.174235 -0.199987 -0.654011
C 1.217152 -4.461812 -1.619726
C -6.316329 1.341889 1.882601
H -4.498057 -1.173325 -2.121929
H -4.013413 -2.674076 -1.269062
H -4.746828 -0.119996 0.170695
H -2.118361 -2.604725 -0.688221
H -6.364555 -2.956479 -1.676143
H -6.246448 -2.553615 0.045146
H -0.629372 1.718430 1.350597
H 0.721113 -3.057314 0.523024
H -7.965663 1.344207 -1.928014
H -6.530041 2.192295 -1.186575
H -2.506280 2.778579 2.305365
H -2.405752 3.208465 0.545780
H -4.004017 3.223640 1.390182
H -8.900267 2.335487 0.128830
H -8.504096 0.643224 0.619729
H 6.288247 2.773425 0.725042
H 5.568672 -1.038365 -1.241337
H 0.759460 -5.309524 -1.087465
H 2.233474 -4.330266 -1.216498
H 1.340414 -4.784048 -2.670585
H -6.821393 0.512849 2.384742
H -5.592131 0.973650 1.138373
H -5.824742 1.996296 2.611369


%chk=000081010-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081010

0 1
Br 3.375590 -0.652441 -2.418473
O -3.259026 1.224642 0.400358
O -6.656116 0.301620 -0.398007
O -7.624677 -0.790683 -2.232995
O -6.436407 3.019041 1.057012
O -1.054873 -4.761879 -1.256727
O 3.575149 2.942675 3.108285
O 2.232111 1.112949 2.856851
O 7.837029 2.875149 0.755546
O 7.994082 1.789445 -1.252011
N -4.207028 -1.120275 -0.257529
N 0.348457 -2.956074 -0.735025
N 1.352434 -0.609217 -0.034162
N 1.896543 0.533340 0.326409
N 3.191638 1.884723 2.466881
N 7.345684 2.138339 -0.186817
C -2.841886 -1.031323 -0.225367
C -4.966237 -2.299335 -0.686692
C -2.277602 0.259660 0.144480
C -0.585248 -1.944090 -0.454315
C -1.980301 -2.117950 -0.530898
C -6.486158 -2.086150 -0.446971
C -0.031967 -0.658663 -0.080640
C -0.905624 0.439192 0.212304
C -7.009410 -0.841352 -1.150672
C -6.928781 1.648228 -0.990639
C 0.108922 -4.281600 -1.105763
C 3.262645 0.739060 0.212513
C 3.911510 1.544641 1.220915
C -2.821104 2.585364 0.744892
C -7.449552 2.595355 0.090042
C 4.081157 0.407476 -0.927901
C 5.223476 2.022342 1.102601
C 5.958217 1.666836 -0.041355
C 5.397432 0.858297 -1.059756
C 1.365535 -5.122146 -1.298078
C -6.273638 2.112400 2.202933
H -4.779782 -2.511691 -1.759414
H -4.645066 -3.192744 -0.116815
H -4.738041 -0.265969 -0.039694
H -2.370005 -3.092479 -0.826208
H -7.032005 -2.959393 -0.837447
H -6.675785 -1.996016 0.636759
H -0.445059 1.387166 0.502573
H 1.320535 -2.628660 -0.631111
H -7.662341 1.527236 -1.809051
H -5.968761 2.012595 -1.396363
H -2.245274 2.581640 1.689007
H -2.203715 3.010456 -0.068664
H -3.752384 3.159239 0.859175
H -7.774385 3.526535 -0.410576
H -8.325680 2.144630 0.602755
H 5.664549 2.642580 1.886213
H 6.008285 0.604851 -1.929752
H 1.464343 -5.826506 -0.452271
H 2.289407 -4.522846 -1.365584
H 1.255573 -5.724762 -2.214340
H -7.252504 1.895882 2.678576
H -5.788814 1.162912 1.910018
H -5.634565 2.651044 2.920778


