%chk=000245115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245115

0 1
Br 1.130915 2.585341 1.035822
O -2.972089 -2.733374 -1.078468
O 2.047668 -1.556149 1.741041
O 2.201383 1.398824 -1.839155
N 1.765655 -0.031807 -0.023216
C -2.399166 0.541683 0.188517
C -1.882350 -0.703212 -0.287067
C -3.875950 0.480110 0.156856
C 0.337702 0.097554 0.026921
C -4.264069 -0.804393 -0.338121
C -0.527041 -0.946362 -0.375788
C -3.034924 -1.614769 -0.644458
C -1.549449 1.561843 0.588401
C -0.172036 1.311944 0.504392
C 3.959065 -0.624597 0.501294
C 4.006351 0.284507 -0.591188
C 2.529160 -0.859384 0.891898
C 2.610173 0.684639 -0.968380
C -4.829672 1.415299 0.510833
C -5.594254 -1.143296 -0.474600
C 5.112138 -1.149507 1.044856
C 5.207113 0.673369 -1.145789
C -6.191188 1.064139 0.369461
C -6.567525 -0.185287 -0.111625
C 6.346462 -0.752280 0.477865
C 6.392759 0.136480 -0.590099
H -0.135174 -1.899741 -0.735975
H -1.927236 2.515666 0.955164
H -4.552437 2.396695 0.888429
H -5.889356 -2.123344 -0.852080
H 5.079785 -1.847107 1.883184
H 5.247544 1.370651 -1.983975
H -6.954509 1.793129 0.645345
H -7.622944 -0.436642 -0.212999
H 7.271757 -1.155867 0.892962
H 7.354440 0.431145 -1.013958


%chk=000245115-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245115

0 1
Br 0.935015 2.931022 1.222262
O -2.836110 -2.743561 -1.039420
O 2.048469 -1.484958 1.825650
O 2.270408 1.545784 -1.794036
N 1.797973 0.101878 0.053822
C -2.430073 0.612085 0.219383
C -1.854092 -0.613449 -0.228217
C -3.911014 0.489493 0.156038
C 0.379221 0.272964 0.116700
C -4.232215 -0.813406 -0.331718
C -0.468884 -0.791039 -0.286853
C -2.957643 -1.568628 -0.598565
C -1.605948 1.671912 0.628452
C -0.201916 1.483507 0.582749
C 3.967699 -0.639229 0.489324
C 4.034708 0.272718 -0.590746
C 2.541965 -0.776460 0.920022
C 2.654628 0.757607 -0.902615
C -4.934136 1.396013 0.480600
C -5.562034 -1.226916 -0.501426
C 5.119511 -1.259840 0.996890
C 5.255825 0.594863 -1.202682
C -6.282512 0.980956 0.311090
C -6.596296 -0.312558 -0.173234
C 6.359559 -0.939680 0.386739
C 6.426699 -0.026177 -0.696703
H -0.035965 -1.732168 -0.639415
H -2.016765 2.619993 0.986222
H -4.711512 2.400878 0.855501
H -5.784331 -2.230909 -0.877383
H 5.054177 -1.963513 1.832494
H 5.293963 1.300953 -2.037919
H -7.094244 1.673676 0.559130
H -7.644581 -0.605352 -0.293733
H 7.280575 -1.403552 0.755435
H 7.398577 0.200993 -1.147540


