%chk=000223675.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223675

0 1
Br -0.886187 -0.100704 -3.694299
O 1.406556 -1.745058 -2.576821
O -3.267277 1.638813 -2.961524
O -1.426289 2.554109 -2.277145
O 5.365751 0.803533 1.694182
N -2.289176 1.689575 -2.245171
C -0.750165 0.214446 -0.810377
C -2.212010 0.652657 -1.111106
C 0.149395 0.234426 -2.059606
C -0.808036 -1.122942 -0.097117
C -2.860730 1.242391 0.121710
C 1.342404 -0.720713 -1.939630
C -0.652649 -1.146325 1.298033
C -1.039943 -2.321040 -0.786773
C -3.837429 0.498099 0.798288
C -2.484117 2.505480 0.602998
C 2.396583 -0.308624 -0.979297
C -0.725960 -2.356261 1.992783
C -1.110688 -3.529296 -0.087673
C -4.432051 1.017005 1.952387
C -3.085131 3.019560 1.753843
C -0.955755 -3.550099 1.301651
C -4.058346 2.276366 2.430837
C 2.628108 1.036248 -0.628417
C 3.204496 -1.317656 -0.426934
C 3.631274 1.370474 0.267335
C 4.216758 -1.009971 0.481731
C 4.420506 0.335276 0.821566
C 6.259568 -0.154814 2.316199
H -0.299558 0.972725 -0.106629
H -2.803520 -0.242085 -1.464883
H 0.526304 1.283022 -2.217277
H -0.478341 -0.221116 1.846457
H -1.143618 -2.325110 -1.874450
H -4.133345 -0.485280 0.432588
H -1.731757 3.093864 0.071750
H -0.604197 -2.367822 3.074720
H -1.283453 -4.457411 -0.631927
H -5.190813 0.437255 2.477067
H -2.796673 4.003668 2.122111
H -1.012194 -4.492611 1.843291
H -4.526324 2.680200 3.327597
H 2.021760 1.830124 -1.073510
H 3.030156 -2.359221 -0.719482
H 3.831139 2.402683 0.548540
H 4.826663 -1.802466 0.902721
H 5.692757 -0.855529 2.935663
H 6.855698 -0.666942 1.555304
H 6.889256 0.498795 2.935195


%chk=000223675-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223675

0 1
Br -0.696899 -1.156749 -3.554390
O 1.576193 -2.361706 -1.848015
O -2.256562 2.595053 -2.736296
O -0.409255 2.691434 -1.409448
O 5.675069 1.474354 1.333546
N -1.495843 2.126269 -1.821760
C -0.707654 -0.054448 -0.758743
C -1.948552 0.805302 -1.122984
C 0.243935 -0.300001 -1.979132
C -1.112232 -1.328261 -0.010754
C -2.812433 1.202017 0.069271
C 1.481143 -1.135872 -1.571182
C -0.450763 -1.645518 1.202365
C -2.115515 -2.209509 -0.488222
C -4.198860 0.917556 0.047969
C -2.254289 1.866548 1.190366
C 2.551804 -0.420961 -0.805916
C -0.774249 -2.816876 1.920965
C -2.440756 -3.381630 0.228634
C -5.017551 1.274697 1.141485
C -3.073758 2.228977 2.279904
C -1.772170 -3.691037 1.434743
C -4.456602 1.931180 2.260439
C 2.573309 0.988668 -0.578909
C 3.620571 -1.204637 -0.290954
C 3.625371 1.582456 0.134178
C 4.678721 -0.623463 0.427616
C 4.682565 0.781831 0.641652
C 6.810807 0.709200 1.865014
H -0.096120 0.555155 -0.065281
H -2.559195 0.313780 -1.896970
H 0.561498 0.669738 -2.393481
H 0.324549 -0.971251 1.587238
H -2.635167 -1.998826 -1.428382
H -4.636062 0.413354 -0.821806
H -1.187376 2.117977 1.207129
H -0.250079 -3.045239 2.855593
H -3.213379 -4.055713 -0.157605
H -6.088070 1.044381 1.119166
H -2.636945 2.745605 3.141400
H -2.025911 -4.602054 1.988093
H -5.091040 2.212263 3.108203
H 1.779966 1.639920 -0.961789
H 3.597000 -2.283880 -0.475208
H 3.657347 2.662120 0.306556
H 5.485129 -1.256061 0.809634
H 6.476076 -0.036294 2.611114
H 7.366952 0.204630 1.052491
H 7.454682 1.457216 2.348966


