%chk=000106068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106068

0 1
Br 1.568027 -1.825398 -0.511470
O -3.267325 2.591340 0.678785
O -1.450742 -2.290576 -2.633444
O 5.039952 3.067373 1.481070
O 3.053673 2.526115 2.141888
O 7.928016 -0.402803 -0.287640
O 7.057463 -2.168936 -1.186361
N -4.729911 0.495137 -0.257708
N -0.560488 -2.232163 -0.476451
N 0.859257 -0.107831 0.696387
N 1.734346 0.754907 0.396187
N -6.420431 -3.972598 0.462746
N 4.078987 2.316592 1.522818
N 6.979483 -1.101133 -0.600891
C -3.308776 0.367792 -0.138379
C -5.480153 -0.770042 -0.515499
C -5.203237 1.637355 -1.099604
C -2.545418 1.460655 0.414064
C -2.625070 -0.814605 -0.432444
C -1.248392 -0.958512 -0.181826
C -5.637812 -1.514016 0.828918
C -1.178729 1.336327 0.641375
C -0.525853 0.124361 0.352453
C -4.874413 1.501828 -2.583646
C -2.558394 3.764889 1.213763
C -6.079601 -2.880175 0.624465
C -0.912257 -2.899251 -1.747924
C -3.664966 4.790944 1.338748
C 3.077447 0.288818 0.403730
C 4.198331 1.049320 0.775165
C -0.475883 -4.326247 -1.800498
C 3.260129 -0.976735 -0.247280
C 5.486173 0.590175 0.427514
C 5.630798 -0.621979 -0.243948
C 4.507239 -1.426012 -0.588214
H -4.988907 -1.424573 -1.272321
H -6.486557 -0.527294 -0.924625
H -6.300901 1.732857 -0.945172
H -4.753206 2.575784 -0.687316
H -3.163867 -1.640172 -0.907823
H -4.675973 -1.503629 1.397897
H -6.354047 -0.961828 1.484041
H -0.586877 2.160540 1.045251
H -3.795016 1.387085 -2.752352
H -5.365600 0.638577 -3.045403
H -5.192552 2.391991 -3.139734
H -0.661766 -2.861130 0.352362
H -1.774051 4.058143 0.495103
H -2.118255 3.485834 2.186897
H -3.311431 5.693248 1.854040
H -4.054294 5.093714 0.357813
H -4.516089 4.390446 1.909610
H -1.231365 -5.000148 -1.366226
H 0.479351 -4.530878 -1.293222
H -0.345224 -4.647091 -2.851085
H 6.371441 1.195340 0.691680
H 4.668014 -2.381730 -1.102263


%chk=000106068-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106068

0 1
Br 2.841098 -1.633376 -2.270959
O -2.822439 2.618376 -0.036430
O -2.786460 -3.945473 -0.831035
O 4.013850 2.350609 2.851394
O 2.159955 1.025799 2.698687
O 8.100537 0.650030 0.817565
O 7.960672 -0.659848 -1.052665
N -4.645882 0.438600 -0.536114
N -0.846295 -2.663667 -0.528088
N 0.871876 -0.683822 -0.031401
N 1.737432 0.269277 0.236955
N -7.956751 -3.192038 -0.773463
N 3.330758 1.398585 2.299957
N 7.427942 0.000307 -0.074987
C -3.275371 0.241095 -0.401398
C -5.512681 -0.650949 -1.035907
C -5.403661 1.659796 -0.132552
C -2.314758 1.314070 -0.134909
C -2.753920 -1.082128 -0.550181
C -1.387004 -1.369284 -0.419432
C -5.990827 -1.619526 0.098102
C -0.955829 1.026736 -0.021380
C -0.458028 -0.302469 -0.150197
C -5.734363 2.589485 -1.317726
C -1.857102 3.720399 0.197343
C -7.072913 -2.498815 -0.371057
C -1.524393 -3.869947 -0.714006
C -2.660730 5.015687 0.254251
C 3.102416 0.021484 0.191548
C 3.943182 0.697447 1.150914
C -0.633789 -5.104567 -0.750020
C 3.803226 -0.683657 -0.852372
C 5.342248 0.718063 1.073273
C 5.957400 0.013421 0.024685
C 5.198602 -0.690997 -0.940699
H -5.003839 -1.223752 -1.828519
H -6.400558 -0.182786 -1.494445
H -6.342079 1.308494 0.341027
H -4.830673 2.208238 0.625032
H -3.406887 -1.929868 -0.745818
H -5.152622 -2.239184 0.463375
H -6.362068 -1.028019 0.956563
H -0.218016 1.806289 0.180990
H -4.806008 2.993509 -1.752347
H -6.298525 2.063964 -2.109859
H -6.354275 3.434750 -0.966957
H 0.177880 -2.671962 -0.417995
H -1.122451 3.733547 -0.632553
H -1.319638 3.533399 1.148085
H -1.976997 5.868246 0.416082
H -3.206719 5.184393 -0.689715
H -3.387671 4.995214 1.084148
H -0.826668 -5.716555 0.149144
H 0.443109 -4.869627 -0.793933
H -0.906475 -5.717598 -1.625047
H 5.935342 1.256771 1.815819
H 5.722136 -1.226163 -1.736772


