%chk=000198514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198514

0 1
Br 4.465144 -1.960218 -2.258636
O 0.148298 1.824492 0.064342
O -0.190775 -1.455716 1.695104
O -1.713678 -0.554207 -1.316351
O 2.309507 1.748933 -0.427233
O -3.068431 1.390070 1.655104
O 3.353208 -1.603126 1.519963
O 0.488453 -3.548902 1.167462
O -3.838373 -1.016903 -0.688155
O 2.294103 2.468145 -2.577837
O -3.979862 2.461818 -0.116500
N 2.283244 -1.173711 -0.461555
C -0.078935 -1.048287 0.300974
C 1.275000 -0.309791 0.182119
C -1.338503 -0.205751 0.055806
C -1.205889 1.328419 0.065223
C 1.102586 0.996222 -0.623726
C -1.767130 1.949980 1.359582
C 3.274857 -1.770931 0.316687
C 0.197251 -2.750714 2.024610
C -3.020646 -0.938516 -1.573168
C 2.796005 2.520181 -1.484416
C 4.248584 -2.635164 -0.451235
C 0.161223 -2.890327 3.500261
C -3.159191 -1.198699 -3.027424
C -4.128326 1.705143 0.812255
C 3.964254 3.288508 -0.988228
C -5.323309 0.947184 1.254032
H -0.110476 -1.962245 -0.350019
H 1.628727 -0.036031 1.227984
H -2.156396 -0.529569 0.760904
H -1.705702 1.756571 -0.842183
H 0.839065 0.892797 -1.694828
H -1.176555 1.666823 2.251897
H -1.840870 3.048833 1.274203
H 2.133877 -1.389899 -1.445688
H 5.237547 -2.641073 0.051998
H 3.898831 -3.686576 -0.494180
H -0.463447 -2.121586 3.984650
H -0.211781 -3.882002 3.799471
H 1.180753 -2.780918 3.915868
H -2.204938 -1.101319 -3.572010
H -3.552286 -2.212087 -3.211801
H -3.870330 -0.487510 -3.483365
H 3.740478 4.368599 -0.972476
H 4.839991 3.143343 -1.640758
H 4.252653 2.999480 0.038154
H -5.304142 0.706889 2.328021
H -6.251757 1.492425 1.030435
H -5.365610 -0.022380 0.712161


%chk=000198514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198514

0 1
Br 2.224171 -2.927321 -3.638629
O 0.161848 1.531942 0.676262
O -0.018325 -0.981928 2.288552
O -1.131848 -0.858630 -1.220285
O 2.386337 1.599262 -0.023400
O -3.397715 0.955872 1.568058
O 3.912999 -1.918830 0.103787
O 0.587355 -3.220371 2.611671
O -3.458916 -0.786346 -1.362353
O 1.904603 2.937827 -1.889016
O -3.960553 2.630446 0.043966
N 1.858586 -1.385830 -0.877947
C 0.042757 -1.187011 0.820050
C 1.361138 -0.583537 0.244551
C -1.211149 -0.515456 0.240043
C -1.203887 1.027436 0.412951
C 1.136157 0.883404 -0.198481
C -2.020512 1.502078 1.628919
C 3.087639 -1.994226 -0.857312
C 0.305515 -2.104897 3.092136
C -2.355108 -0.951928 -1.920240
C 2.647512 2.668865 -0.926587
C 3.514220 -2.840379 -2.058137
C 0.262068 -1.719793 4.550822
C -2.107403 -1.246546 -3.379769
C -4.286187 1.608953 0.686362
C 3.920446 3.367767 -0.521551
C -5.603132 0.878073 0.631405
H 0.031879 -2.272876 0.615984
H 2.135929 -0.603764 1.031178
H -2.139610 -0.940949 0.656973
H -1.597124 1.498569 -0.510491
H 0.802977 0.956347 -1.255007
H -1.593908 1.102595 2.559314
H -2.049638 2.604235 1.641355
H 1.244104 -1.513913 -1.688430
H 4.453271 -2.445270 -2.472416
H 3.652128 -3.884652 -1.740156
H -0.675304 -1.187671 4.783468
H 0.353202 -2.619959 5.175087
H 1.096623 -1.032694 4.777603
H -1.300077 -1.986934 -3.502383
H -3.034299 -1.610775 -3.845972
H -1.793144 -0.320049 -3.894581
H 3.748174 3.927852 0.414959
H 4.232170 4.065997 -1.311269
H 4.715887 2.631272 -0.320485
H -5.873984 0.471428 1.618380
H -6.390312 1.550624 0.260033
H -5.491258 0.032388 -0.071476


