%chk=000230166.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230166

0 1
Br -1.165239 -4.726816 0.515841
Br -3.682203 -1.099814 -2.180234
O 0.148371 -1.967884 0.088205
O 3.100760 -0.585192 -0.709124
O -1.155253 2.562206 1.882820
O -2.940550 3.394751 0.556205
C -1.261167 -1.952371 -0.229631
C -1.775198 -0.529431 -0.087344
C -1.851926 -2.880534 0.850884
C -1.134585 0.290512 0.883187
C 1.021395 -1.608981 -1.017143
C -2.817044 -0.020956 -0.858828
C -1.599572 1.575259 1.016452
C -3.361307 -2.917753 0.865932
C -2.675571 2.078154 0.218329
C 2.417526 -1.830630 -0.436408
C -3.302520 1.303510 -0.728865
C 4.903726 0.888926 -0.515733
C 4.396546 -0.480912 -0.065071
C 6.288457 1.189065 0.068116
C -1.981909 3.742813 1.612548
C 6.799599 2.556113 -0.380115
H -1.414375 -2.354422 -1.257881
H -1.432376 -2.607302 1.847776
H -0.296863 -0.103207 1.464831
H 0.803282 -2.259041 -1.879344
H 0.857871 -0.545775 -1.280111
H -3.786681 -1.920166 1.053471
H -3.744232 -3.584268 1.652244
H -3.786082 -3.274404 -0.084214
H 2.961700 -2.652282 -0.930177
H 2.366711 -2.013277 0.655020
H -4.117862 1.685296 -1.342061
H 4.927523 0.927274 -1.623292
H 4.174033 1.668184 -0.216912
H 4.260422 -0.544298 1.027900
H 5.039754 -1.306660 -0.412669
H 6.248932 1.150637 1.174816
H 7.007191 0.403661 -0.238992
H -2.552798 3.970450 2.522396
H -1.325813 4.533108 1.223882
H 6.129415 3.362626 -0.060486
H 7.789777 2.766184 0.039686
H 6.885837 2.617244 -1.471307


%chk=000230166-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230166

0 1
Br -0.902900 -4.663176 0.150650
Br -3.003896 -0.742904 -2.782892
O 0.112113 -1.637710 0.432118
O 3.331697 -0.123099 -0.461470
O -2.633181 2.238859 2.567014
O -3.998157 3.162362 0.818615
C -1.219595 -1.766519 -0.167107
C -2.001590 -0.454464 -0.010166
C -1.906083 -2.925313 0.589996
C -1.888087 0.225448 1.243493
C 1.053791 -0.858751 -0.388705
C -2.811873 0.117796 -1.019923
C -2.584651 1.417154 1.414891
C -3.388052 -3.138149 0.271271
C -3.388221 1.962949 0.389833
C 2.407498 -0.954517 0.313268
C -3.523697 1.336954 -0.848785
C 5.572114 0.744921 -0.800808
C 4.699602 -0.159124 0.074254
C 7.044841 0.779181 -0.330351
C -3.410653 3.440518 2.161088
C 7.924973 1.692519 -1.210695
H -1.137546 -2.027353 -1.241412
H -1.724972 -2.809244 1.672107
H -1.235402 -0.186435 2.017472
H 1.116482 -1.285867 -1.410159
H 0.734533 0.200608 -0.461679
H -3.971227 -2.248846 0.576136
H -3.775654 -4.010476 0.822029
H -3.549955 -3.306531 -0.806617
H 2.750605 -2.010634 0.343101
H 2.323450 -0.584214 1.358341
H -4.138662 1.762489 -1.643588
H 5.517845 0.386794 -1.847085
H 5.147953 1.767680 -0.790739
H 4.700794 0.193986 1.131129
H 5.080728 -1.205942 0.063737
H 7.089225 1.126948 0.722112
H 7.458844 -0.249868 -0.336883
H -4.227559 3.600669 2.881524
H -2.725850 4.304029 2.079051
H 7.554109 2.734579 -1.194571
H 8.973889 1.700606 -0.861975
H 7.920079 1.351684 -2.263021


