%chk=000219638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219638

0 1
Br -1.056924 3.046187 0.715511
O 1.334189 -2.382070 -0.451730
O 3.115308 -0.201653 0.007858
O -3.158804 -1.699930 -0.291407
N -2.468427 0.459980 0.167631
C -1.061876 0.261656 0.120715
C 0.924334 -1.106247 -0.177960
C 1.750080 0.035079 0.063071
C -0.467892 -0.984527 -0.147380
C -0.230112 1.371954 0.355177
C 1.163454 1.268696 0.328564
C -3.445171 -0.548045 -0.044511
C -4.855718 -0.040054 0.068478
C 2.758799 -2.654034 -0.514638
C 3.991739 0.925971 0.246214
H -1.084633 -1.876245 -0.335767
H 1.772420 2.152781 0.515499
H -2.803289 1.409815 0.371504
H -5.079729 0.365425 1.064318
H -5.563873 -0.868601 -0.105454
H -5.085626 0.735461 -0.674506
H 3.218748 -2.062926 -1.313662
H 2.768878 -3.726001 -0.743804
H 3.224671 -2.440484 0.453203
H 4.980815 0.461362 0.143628
H 3.845851 1.316363 1.257597
H 3.840189 1.695688 -0.516152


%chk=000219638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219638

0 1
Br -1.026818 3.148812 0.735966
O 1.362968 -2.426020 -0.465680
O 3.174889 -0.141615 0.021491
O -3.251039 -1.769089 -0.304321
N -2.495457 0.410381 0.155281
C -1.087431 0.255079 0.117257
C 0.948992 -1.122264 -0.183981
C 1.774841 0.022476 0.059542
C -0.455671 -0.984716 -0.150695
C -0.245872 1.373678 0.354547
C 1.153586 1.264725 0.327261
C -3.488855 -0.553369 -0.047083
C -4.907672 0.002892 0.080201
C 2.780421 -2.818134 -0.548900
C 3.999494 1.041106 0.271570
H -1.071874 -1.865784 -0.338235
H 1.757328 2.154799 0.515869
H -2.815879 1.362317 0.359983
H -5.082989 0.427970 1.085909
H -5.620848 -0.816406 -0.087998
H -5.094616 0.797662 -0.665614
H 3.303504 -2.268042 -1.348295
H 2.741180 -3.893082 -0.784135
H 3.299858 -2.653068 0.409460
H 5.037966 0.686598 0.196142
H 3.819065 1.451878 1.284303
H 3.818330 1.826816 -0.487846


