%chk=000195091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195091

0 1
Br -9.059400 -1.662509 -0.744539
P 4.080352 -1.647508 -0.266014
O 4.166620 -0.197688 0.491498
O -0.414261 1.678833 1.238954
O 3.304162 3.197089 -0.263694
O 3.312602 1.481352 -1.699613
O 2.434664 -1.863395 -0.470820
O 4.546075 -1.154077 -1.739656
O 4.732425 -2.813155 0.318169
N 1.075903 0.544022 -0.053490
C -2.680478 0.306097 0.325014
C -3.790340 -0.484513 -0.376238
C 2.214288 1.258590 0.528542
C 3.193896 0.384321 1.374325
C -1.305122 -0.001404 -0.281571
C -5.162020 -0.168249 0.234839
C -0.231018 0.820499 0.394605
C -6.275698 -0.962752 -0.464103
C 2.494432 -0.598940 2.285140
C 2.988621 1.916254 -0.616622
C -7.629449 -0.638545 0.147609
H -2.878882 1.396626 0.260187
H -2.668719 0.080374 1.410754
H 1.813159 2.076730 1.215943
H -3.798518 -0.249537 -1.458820
H -3.587978 -1.570960 -0.304372
H 3.863671 1.073969 1.959816
H -1.083421 -1.084692 -0.194117
H -1.312770 0.217380 -1.371545
H -5.365984 0.918107 0.158709
H -5.154090 -0.399050 1.318255
H 1.290412 -0.246389 -0.671157
H -6.069052 -2.050573 -0.390135
H -6.278872 -0.735623 -1.550463
H 1.824420 -1.291682 1.753785
H 1.866685 -0.075663 3.023097
H 3.213874 -1.207368 2.854962
H -7.678519 -0.902074 1.217895
H -7.893445 0.427114 0.036996
H 3.816838 3.686081 -0.967946
H 2.116213 -2.795049 -0.539906
H 4.239028 -0.221143 -2.025875


%chk=000195091-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195091

0 1
Br -9.106794 -1.650824 -0.821101
P 3.631200 -1.633492 -0.746407
O 4.181721 -0.360551 0.298798
O -0.162340 2.075616 -0.010741
O 2.940828 3.294148 0.165172
O 2.658454 1.697422 -1.470949
O 2.250098 -2.281198 0.135861
O 2.922993 -0.829393 -2.034855
O 4.702081 -2.743478 -1.070284
N 1.107299 0.233800 0.540794
C -2.566489 0.330481 0.116040
C -3.706570 -0.538802 -0.456532
C 2.211253 1.118191 0.914672
C 3.473772 0.345855 1.404864
C -1.171159 -0.150141 -0.347240
C -5.104394 -0.069464 0.009402
C -0.062473 0.808333 0.073007
C -6.240525 -0.957699 -0.561887
C 3.218387 -0.557450 2.619522
C 2.581980 2.038750 -0.259415
C -7.612142 -0.472337 -0.090664
H -2.693065 1.384032 -0.195960
H -2.610956 0.321686 1.223767
H 1.899585 1.791082 1.735644
H -3.664241 -0.517591 -1.565182
H -3.558166 -1.597278 -0.157443
H 4.226893 1.107771 1.673988
H -0.964802 -1.173099 0.020757
H -1.157921 -0.199802 -1.455122
H -5.258424 0.983821 -0.302372
H -5.143967 -0.079981 1.118285
H 1.243044 -0.790222 0.529496
H -6.088219 -2.006366 -0.243486
H -6.202440 -0.947405 -1.667681
H 2.477075 -1.343751 2.410039
H 2.859756 0.052593 3.468597
H 4.165747 -1.038229 2.915258
H -7.731243 -0.524668 1.002986
H -7.856058 0.538141 -0.454285
H 3.194914 3.866918 -0.608612
H 2.226615 -3.270662 0.158869
H 2.758996 0.186147 -1.917203


