%chk=000245667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245667

0 1
Br 4.940095 -1.047034 1.988466
Br 3.295627 3.472390 1.910934
Br -5.236564 1.368321 2.069289
O 1.066541 -2.975423 0.168559
O -0.863187 2.332825 0.049198
O -2.444363 -2.010956 0.392117
N 0.750338 -1.329125 -1.362632
N 0.028473 1.003718 -1.566899
N -1.652431 -0.766974 -1.336246
C 1.058207 -0.002349 -1.955022
C -0.637858 -1.816027 -1.652694
C -1.352121 0.552742 -1.943454
C 1.467605 -1.927699 -0.294616
C 0.147081 1.849008 -0.429807
C -2.435568 -0.925558 -0.153398
C 2.754155 -1.255513 0.147611
C 1.543447 2.175614 0.052862
C -3.280278 0.248636 0.287477
C 3.327582 -1.975026 1.357939
C 1.486823 3.146414 1.221541
C -4.073766 -0.122618 1.529081
H 2.081044 0.344128 -1.693588
H 1.022875 -0.104928 -3.073229
H -0.706673 -2.063886 -2.737713
H -0.846579 -2.744495 -1.044352
H -2.095779 1.330812 -1.640027
H -1.389581 0.454427 -3.057216
H 3.491613 -1.260859 -0.686337
H 2.571575 -0.178756 0.395670
H 2.077261 1.237669 0.359645
H 2.144858 2.608999 -0.778976
H -2.633148 1.143387 0.490104
H -3.963394 0.562953 -0.532978
H 2.611257 -2.008282 2.201210
H 3.608765 -3.019791 1.123892
H 1.056913 4.123169 0.928820
H 0.876332 2.755252 2.058229
H -4.722844 -1.002516 1.358605
H -3.415334 -0.353748 2.387134


%chk=000245667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245667

0 1
Br 5.579371 -1.784615 1.399233
Br 3.318654 4.175097 1.640441
Br -5.818390 1.337551 1.646386
O 1.196072 -3.203399 0.216605
O -0.906617 2.653389 0.046299
O -2.689930 -2.065451 0.481186
N 0.745991 -1.290904 -1.024884
N 0.037244 1.011936 -1.297477
N -1.616381 -0.736499 -1.095370
C 1.087466 0.021651 -1.614673
C -0.612380 -1.779972 -1.377293
C -1.307641 0.553814 -1.729134
C 1.574027 -2.073014 -0.209794
C 0.130694 2.039211 -0.351576
C -2.588047 -0.946742 -0.101542
C 2.969649 -1.515924 0.123769
C 1.532078 2.424091 0.142789
C -3.534419 0.223312 0.205230
C 3.740935 -2.527642 0.978805
C 1.461162 3.702143 0.986831
C -4.531035 -0.189463 1.293687
H 2.067356 0.364879 -1.263883
H 1.126594 -0.082373 -2.718926
H -0.640235 -2.029785 -2.457673
H -0.833138 -2.674654 -0.775242
H -2.037250 1.327714 -1.463028
H -1.281675 0.422771 -2.828894
H 3.536440 -1.306907 -0.803705
H 2.885354 -0.559024 0.673907
H 1.955037 1.604750 0.756013
H 2.218018 2.575080 -0.711667
H -2.959928 1.112934 0.526755
H -4.083019 0.512999 -0.711987
H 3.262477 -2.712904 1.949206
H 3.913206 -3.477706 0.456242
H 1.116286 4.571142 0.410509
H 0.846084 3.578826 1.887568
H -5.156299 -1.042303 0.997840
H -4.044813 -0.395108 2.256648


