%chk=000223183.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223183

0 1
Br -0.652036 -0.603962 3.181816
Br -6.873867 0.363486 -0.627098
S 2.550116 -1.504431 0.006707
O 3.514941 -2.041434 0.942242
O 2.255298 -2.184617 -1.236743
N 1.095008 -1.493063 0.967592
N 3.606796 4.194571 -1.039852
C -0.200625 -1.250039 0.488131
C -2.519212 -0.550959 0.948946
C -2.823807 -0.706972 -0.432632
C -1.188993 -0.824670 1.372621
C 2.849636 0.141812 -0.296322
C -0.533750 -1.416864 -0.900009
C -1.801816 -1.149866 -1.334813
C -3.556433 -0.121393 1.838012
C -4.144020 -0.429774 -0.902509
C 3.547142 0.917753 0.645839
C 2.413715 0.737179 -1.492551
C -4.820541 0.141257 1.370457
C -5.103431 -0.016235 -0.013838
C 3.796344 2.261715 0.419692
C 2.646357 2.078599 -1.748780
C 3.343340 2.859606 -0.787361
H 1.187095 -1.738602 1.969650
H 0.224036 -1.805328 -1.594636
H -2.061650 -1.282967 -2.387512
H -3.335768 -0.004193 2.900808
H -4.362863 -0.554900 -1.964248
H 3.905713 0.451500 1.572458
H 1.884969 0.129502 -2.238126
H -5.610817 0.468097 2.048947
H 4.337690 2.849905 1.154930
H 2.304864 2.526609 -2.677316
H 4.021990 4.783336 -0.340078
H 3.223383 4.656344 -1.845127


%chk=000223183-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223183

0 1
Br -0.319180 -0.340967 3.061459
Br -6.471607 1.043626 -0.921331
S 2.732068 -1.728529 -0.080051
O 3.911829 -2.182554 0.940068
O 2.531409 -2.373280 -1.555771
N 1.113709 -2.217668 0.923644
N 2.867944 4.297331 -0.662411
C -0.106566 -1.678968 0.478656
C -2.233496 -0.412558 0.813830
C -2.645588 -0.790686 -0.528105
C -0.946705 -0.855679 1.262815
C 2.773055 0.127292 -0.265935
C -0.559981 -2.052465 -0.841296
C -1.779192 -1.607634 -1.329251
C -3.125436 0.393781 1.595312
C -3.912499 -0.350088 -1.027860
C 3.405169 0.886487 0.738178
C 2.174973 0.710512 -1.399876
C -4.356039 0.818296 1.089554
C -4.738325 0.437742 -0.229639
C 3.439769 2.282828 0.600162
C 2.209175 2.108240 -1.530295
C 2.836500 2.916632 -0.531607
H 1.361137 -1.998513 1.905768
H 0.091878 -2.706246 -1.428190
H -2.105834 -1.900801 -2.332892
H -2.836153 0.683315 2.609499
H -4.217678 -0.641749 -2.037617
H 3.880648 0.389634 1.590334
H 1.718245 0.080862 -2.169880
H -5.024221 1.433097 1.698594
H 3.936329 2.891456 1.364343
H 1.754739 2.582024 -2.407695
H 3.315269 4.879556 0.040210
H 2.443458 4.756676 -1.463427


