%chk=000261547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261547

0 1
Br 1.291432 -3.333142 -0.826291
Br -1.952778 -2.628712 -1.531645
O 0.985088 -0.940159 1.725647
C 2.734442 1.164850 0.282132
C 2.724318 -0.379314 0.175559
C 0.543941 -1.535936 -0.553338
C 1.388009 -0.936043 0.588081
C -0.936980 -1.574232 -0.193122
C 1.747434 1.791243 -0.706927
C 4.154200 1.688310 0.043432
C -1.505335 -0.182670 -0.110331
C -1.782046 0.357627 1.155311
C -1.741827 0.584186 -1.261415
C -2.297969 1.651521 1.265784
C -2.257413 1.877271 -1.144239
C -2.537898 2.412318 0.117542
H 2.421883 1.440589 1.322853
H 3.505061 -0.798677 0.848195
H 3.019765 -0.696109 -0.842892
H 0.705363 -0.982160 -1.508812
H -1.083486 -2.129747 0.770825
H 1.789224 2.886524 -0.663793
H 1.961418 1.504072 -1.741312
H 0.710488 1.508373 -0.485122
H 4.192856 2.779945 0.139199
H 4.520551 1.439304 -0.958579
H 4.865569 1.275547 0.767375
H -1.577340 -0.226236 2.055518
H -1.539678 0.173001 -2.250940
H -2.512880 2.065779 2.250183
H -2.446961 2.467589 -2.039660
H -2.944250 3.418691 0.204983


%chk=000261547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261547

0 1
Br 1.354979 -3.411203 -0.541264
Br -2.081880 -2.863118 -1.278383
O 0.998299 -0.547051 1.651320
C 2.978907 1.216103 0.226225
C 2.725755 -0.296780 -0.052178
C 0.463236 -1.563724 -0.501037
C 1.371866 -0.768960 0.470013
C -0.997180 -1.623428 -0.041328
C 2.039221 2.107708 -0.619326
C 4.461493 1.561044 -0.037145
C -1.641945 -0.252314 -0.021720
C -2.186119 0.237768 1.192001
C -1.699200 0.560345 -1.184871
C -2.776924 1.518975 1.243951
C -2.288872 1.840786 -1.132045
C -2.828795 2.324868 0.083196
H 2.756646 1.386825 1.298129
H 3.501015 -0.887662 0.475583
H 2.829910 -0.517124 -1.131341
H 0.566356 -1.210247 -1.539203
H -1.067038 -2.115269 0.939461
H 2.217753 3.176678 -0.401945
H 2.218445 1.950980 -1.701409
H 0.973694 1.898246 -0.411472
H 4.656107 2.629915 0.167214
H 4.733994 1.365930 -1.092470
H 5.136025 0.963869 0.604318
H -2.131597 -0.378333 2.095961
H -1.319755 0.176870 -2.139551
H -3.193791 1.887349 2.187488
H -2.336045 2.456865 -2.036693
H -3.290360 3.317692 0.122722


