%chk=000191482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191482

0 1
Br 3.378215 -3.260810 1.106395
Br 6.177951 -0.957598 0.432583
O 1.294287 0.767069 0.840451
O -3.023801 1.475453 -0.663120
O -1.608689 2.677649 1.129773
O 0.963064 0.734033 -2.153752
O 0.331311 3.907500 -0.513145
O 3.527466 1.456793 3.218569
O -2.282502 -0.935243 1.616923
O 2.313268 -0.943116 2.875558
N -1.153899 0.318870 -1.330468
C 0.301642 1.538103 0.093778
C -1.058057 1.423487 0.827567
C -1.991211 0.622480 -0.162270
C 0.142212 0.853797 -1.279169
C 0.891141 2.985512 0.007074
C 2.370432 1.612778 1.130415
C 2.203005 2.881640 0.685852
C 3.503562 0.962592 1.877285
C -2.544881 -0.703611 0.459508
C 3.409387 -0.582591 2.062691
C 3.105572 4.042112 0.810526
C 3.312293 -1.327253 0.708632
C -3.315165 -1.627979 -0.406277
C -4.142041 1.709296 0.231265
C 4.337446 -0.925035 -0.340086
C 4.335868 -1.774747 -1.611981
C -3.376093 -2.978981 -0.019688
C -3.979991 -1.205460 -1.568474
C -4.082822 -3.898510 -0.797758
C -4.689716 -2.127391 -2.339116
C 2.978274 -1.763811 -2.306722
C -4.738775 -3.473758 -1.957371
H -0.954420 0.916864 1.821851
H -1.571378 -0.046710 -2.183237
H 4.470386 1.237619 1.377532
H 4.284300 -0.922164 2.681926
H -1.793843 3.199657 0.294816
H 2.963877 4.749170 -0.026551
H 2.901476 4.611550 1.731937
H 4.166180 3.756589 0.812210
H 2.285570 -1.169204 0.277759
H 4.178413 0.146972 -0.618564
H -4.698498 2.491117 -0.301732
H -3.790492 2.073458 1.205383
H -4.740662 0.799565 0.331753
H 3.658960 2.433541 3.222097
H 1.459367 -0.593016 2.525747
H 5.110838 -1.389571 -2.309887
H 4.640199 -2.821468 -1.394104
H -2.867616 -3.300791 0.894633
H -3.956157 -0.152001 -1.867004
H 2.586372 -0.745452 -2.451575
H 3.047529 -2.219780 -3.302178
H 2.226843 -2.333778 -1.747159
H -4.123730 -4.945868 -0.498181
H -5.207859 -1.798556 -3.239695
H -5.291408 -4.191610 -2.564922


%chk=000191482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191482

0 1
Br 4.665587 -3.113343 0.444286
Br 6.743209 0.045462 0.791295
O 1.080683 0.461621 1.430186
O -2.971291 1.416058 -0.912919
O -1.669121 2.603912 1.155606
O 0.974502 -0.640217 -1.257912
O 0.287539 3.160991 -0.830321
O 3.130393 0.845512 3.609463
O -3.210703 -0.629508 1.920444
O 2.669207 -1.668794 2.494368
N -1.329673 -0.278914 -0.897201
C 0.137589 1.016378 0.422479
C -1.301900 1.221645 0.975819
C -2.255194 0.466310 -0.051890
C 0.016968 -0.059292 -0.692354
C 0.841750 2.296532 -0.088905
C 2.275661 1.208092 1.333573
C 2.193471 2.285767 0.471863
C 3.418600 0.699376 2.173121
C -3.224582 -0.547317 0.660885
C 3.723968 -0.824138 1.966789
C 3.216594 3.340140 0.153427
C 4.034079 -1.176122 0.480339
C -4.082023 -1.445111 -0.176114
C -4.200467 2.013222 -0.326062
C 5.005771 -0.265870 -0.281410
C 5.399263 -0.694164 -1.705210
C -4.698935 -2.553420 0.470142
C -4.297398 -1.242919 -1.570609
C -5.505261 -3.446159 -0.260611
C -5.109932 -2.138294 -2.296340
C 4.172746 -0.859065 -2.636488
C -5.711043 -3.242429 -1.647248
H -1.393947 0.749891 1.966204
H -1.656072 -0.943814 -1.602122
H 4.328014 1.271060 1.903342
H 4.608365 -1.046422 2.586829
H -1.518032 3.082091 0.291444
H 3.482757 3.317440 -0.919455
H 2.801101 4.344777 0.351269
H 4.142403 3.225381 0.742212
H 3.091885 -1.211991 -0.100851
H 4.568724 0.750273 -0.313216
H -4.462700 2.831663 -1.013409
H -4.001778 2.412878 0.681499
H -5.023767 1.274953 -0.298475
H 3.041934 1.810729 3.822506
H 1.786697 -1.315425 2.205562
H 6.079203 0.076253 -2.113340
H 5.967645 -1.639146 -1.655511
H -4.526272 -2.692131 1.542423
H -3.869179 -0.365220 -2.068999
H 3.537423 0.045634 -2.651355
H 4.521262 -1.047553 -3.667625
H 3.536567 -1.708157 -2.334820
H -5.971106 -4.299477 0.243228
H -5.279799 -1.972803 -3.365451
H -6.338384 -3.937423 -2.216077


