%chk=000269257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269257

0 1
Br 2.186346 2.260783 -0.011691
O 4.601612 -0.084137 -0.445612
O -4.415624 0.398584 -0.014717
N 3.101047 -1.075694 1.039104
N 1.737155 -1.126758 1.257519
C 2.125677 0.365178 -0.533402
C 1.126601 -0.352571 0.383657
C -0.323324 -0.192120 0.272993
C 3.479304 -0.234130 -0.050787
C 1.888903 0.190890 -2.006759
C -1.075608 -1.151264 -0.418698
C -0.959942 0.920608 0.859954
C -2.458944 -1.006911 -0.551799
C -2.332824 1.081739 0.739504
C -3.072992 0.110793 0.028775
C -5.290483 -0.533074 -0.697285
H 1.860345 -0.872140 -2.290081
H 0.930583 0.636112 -2.318817
H 2.682274 0.666569 -2.606909
H 3.712458 -1.602629 1.655500
H -0.580692 -2.020080 -0.854616
H -0.370690 1.654139 1.414502
H -3.031473 -1.754695 -1.089701
H -2.850479 1.931396 1.180693
H -5.260061 -1.511138 -0.208697
H -5.027459 -0.594595 -1.756924
H -6.271010 -0.056854 -0.562304


%chk=000269257-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269257

0 1
Br 2.328566 1.891933 1.233322
O 4.701712 -0.163774 -0.193720
O -4.517235 0.403999 -0.384005
N 2.973692 -1.655475 0.471826
N 1.562529 -1.719772 0.507292
C 2.230660 0.430644 -0.230043
C 1.094697 -0.529472 0.104466
C -0.348175 -0.292706 -0.020009
C 3.498636 -0.448534 0.016426
C 2.256012 1.094526 -1.607030
C -1.250622 -1.390715 0.059906
C -0.892348 1.011365 -0.212787
C -2.640108 -1.208805 -0.053496
C -2.276916 1.205487 -0.329597
C -3.159562 0.098374 -0.252770
C -5.481586 -0.697586 -0.289214
H 2.183035 0.313778 -2.388478
H 1.421221 1.798223 -1.745428
H 3.213285 1.626704 -1.736165
H 3.505526 -2.475301 0.757436
H -0.841123 -2.394552 0.210067
H -0.234168 1.884389 -0.237215
H -3.302589 -2.076976 0.009491
H -2.700983 2.204014 -0.469821
H -5.425562 -1.195175 0.697888
H -5.321182 -1.441567 -1.093048
H -6.466714 -0.225024 -0.411892


