%chk=000186384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186384

0 1
Br 4.949769 0.553957 3.128368
O -1.805375 0.775774 1.340572
O 2.211371 -0.286908 -3.421044
O 2.010925 -0.021331 2.497659
N -1.611413 0.531617 -0.917236
N 0.535650 0.315510 0.227188
N 0.328362 0.121859 -2.173574
C -3.896822 0.943348 0.057871
C -4.478192 -0.421100 -0.329545
C -4.477712 1.416301 1.395231
C -4.156292 1.990316 -1.030191
C -2.370054 0.758334 0.263588
C -0.206574 0.312789 -0.978926
C 1.919935 0.095295 0.134563
C 2.517549 -0.108600 -1.062411
C 1.733837 -0.110006 -2.326220
C 2.640270 0.098819 1.478829
C 4.133877 0.262520 1.392310
H -4.273734 -1.184206 0.433208
H -5.570273 -0.363507 -0.432302
H -4.090396 -0.795824 -1.283177
H -4.090079 2.401672 1.684046
H -4.220469 0.730062 2.215129
H -5.569964 1.488508 1.354913
H -3.613600 2.925074 -0.840536
H -5.223631 2.249894 -1.070606
H -3.885743 1.644244 -2.033935
H -2.077396 0.521513 -1.839997
H 0.076972 0.432478 1.160416
H 3.583051 -0.286598 -1.184700
H 4.603025 -0.643569 0.951884
H 4.412627 1.120965 0.745326


%chk=000186384-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186384

0 1
Br 4.823584 -0.863650 3.171183
O -1.846473 0.279105 1.323721
O 2.414808 1.127399 -3.399422
O 1.837048 -0.365106 2.414448
N -1.545034 0.844163 -0.910391
N 0.536684 0.362026 0.160175
N 0.413733 0.990494 -2.163203
C -3.876110 0.812504 0.037126
C -4.548837 -0.530610 0.449258
C -4.301865 1.932781 1.033249
C -4.303206 1.195527 -1.401744
C -2.353555 0.621664 0.207305
C -0.141197 0.731787 -0.986528
C 1.925788 0.241015 0.105889
C 2.582730 0.493798 -1.081839
C 1.834146 0.890858 -2.301182
C 2.563198 -0.168359 1.407478
C 4.084508 -0.317489 1.401126
H -4.230255 -0.826510 1.462520
H -5.647327 -0.411639 0.442647
H -4.286392 -1.344362 -0.251547
H -3.849934 2.905464 0.764981
H -3.990336 1.675056 2.059331
H -5.400632 2.046668 1.013036
H -3.878000 2.165381 -1.724911
H -5.401337 1.304326 -1.432343
H -4.038504 0.415069 -2.140929
H -1.965076 1.118323 -1.802476
H -0.007692 0.182750 1.031104
H 3.668519 0.412871 -1.171942
H 4.397532 -1.090266 0.679688
H 4.568985 0.638164 1.140891


