%chk=000258023.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258023

0 1
Br -0.618020 2.973615 0.003456
O -3.194803 -1.638134 -0.003293
N -2.289257 0.488570 0.000252
C 3.350814 -0.700319 0.001088
C 1.866360 -0.391817 0.000857
C 4.015135 -0.149494 1.269137
C 4.016256 -0.146228 -1.264949
C 1.405901 0.933190 0.002099
C 0.930359 -1.438927 -0.000605
C -0.909581 0.139050 0.000388
C 0.037879 1.183746 0.001846
C -0.440322 -1.187635 -0.000847
C -3.362921 -0.435913 -0.001661
C -4.715893 0.219427 -0.001485
H 3.487405 -1.813887 -0.000295
H 3.978933 0.944578 1.309893
H 5.069109 -0.442870 1.322308
H 3.519104 -0.525349 2.171626
H 3.520926 -0.519633 -2.168840
H 5.070235 -0.439603 -1.318019
H 3.980235 0.947952 -1.302845
H 2.118351 1.759672 0.003247
H 1.275314 -2.474406 -0.001578
H -1.153287 -2.021683 -0.002013
H -2.522311 1.488956 0.001673
H -4.883215 0.841690 0.887985
H -5.503517 -0.553718 -0.002885
H -4.882289 0.843970 -0.889537


%chk=000258023-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258023

0 1
Br -0.597538 3.048416 0.003703
O -3.320713 -1.713066 -0.002910
N -2.336251 0.422955 -0.000090
C 3.386392 -0.692384 0.001126
C 1.882103 -0.412528 0.000783
C 4.072279 -0.141445 1.279924
C 4.073524 -0.138087 -1.275552
C 1.390222 0.919106 0.002106
C 0.933058 -1.462667 -0.000819
C -0.954699 0.112138 0.000162
C 0.008996 1.161145 0.001782
C -0.454687 -1.219443 -0.001134
C -3.428403 -0.452159 -0.001631
C -4.779500 0.263151 -0.001324
H 3.513605 -1.793651 -0.000262
H 3.985770 0.960024 1.334539
H 5.148753 -0.394251 1.280796
H 3.614841 -0.562467 2.192986
H 3.617011 -0.556733 -2.190167
H 5.150009 -0.390852 -1.276013
H 3.987044 0.963519 -1.327377
H 2.083631 1.765874 0.003407
H 1.284194 -2.501509 -0.001850
H -1.177564 -2.037447 -0.002382
H -2.552536 1.425485 0.000985
H -4.893095 0.901727 0.894234
H -5.576896 -0.493317 -0.002181
H -4.892650 0.903268 -0.895837


