%chk=000249683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249683

0 1
Br -3.096868 2.931117 -0.404158
Br -5.135635 -2.276399 1.549681
N -2.589512 0.426653 -0.461835
C 1.037992 0.098188 0.287611
C -0.298219 0.455740 0.470284
C 1.549802 -0.619584 -0.855474
C -1.204981 0.038550 -0.582574
C 2.094213 0.423805 1.217410
C 2.998050 -0.767529 -0.624175
C 3.328843 -0.136454 0.634845
C -3.374528 0.479707 -1.735032
C -3.331015 -0.224207 0.658300
C 0.672725 -0.974396 -1.843362
C -0.706942 -0.642525 -1.686852
C -0.581501 1.214569 1.651973
C 1.782975 1.135266 2.344797
C -3.303779 1.958251 -2.142652
C -3.516042 -1.743007 0.499087
C 0.420850 1.530625 2.543011
C 3.981702 -1.373180 -1.383175
C 4.632062 -0.131598 1.094505
C 5.307575 -1.360779 -0.901195
C 5.625763 -0.754147 0.309880
C -4.523082 2.453020 -2.880986
C -2.337652 -2.554322 0.986139
H -4.427774 0.165990 -1.568182
H -2.976084 -0.173948 -2.541320
H -4.313112 0.302611 0.743923
H -2.798216 0.001819 1.612280
H 0.991224 -1.505715 -2.737235
H -1.382355 -0.950526 -2.486293
H -1.604901 1.553889 1.823964
H 2.532771 1.412082 3.081391
H -2.366219 2.184162 -2.696049
H -3.777584 -2.011630 -0.548167
H 0.188483 2.111671 3.435571
H 3.747793 -1.850028 -2.331305
H 4.894393 0.339685 2.038416
H 6.089142 -1.835511 -1.492565
H 6.655348 -0.755212 0.664225
H -5.448819 2.327004 -2.301388
H -4.448216 3.525981 -3.113967
H -4.656279 1.923626 -3.834252
H -2.104212 -2.368452 2.044301
H -2.506943 -3.635297 0.884289
H -1.425038 -2.317067 0.415209


%chk=000249683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249683

0 1
Br -3.638219 3.299435 -0.557770
Br -5.170419 -2.050968 2.394573
N -2.627042 0.126221 -0.287191
C 1.083570 0.089084 0.325640
C -0.282944 0.394127 0.557222
C 1.595700 -0.551654 -0.849025
C -1.226460 -0.050813 -0.460058
C 2.150102 0.445211 1.217795
C 3.062390 -0.641575 -0.678637
C 3.402358 -0.036646 0.588746
C -3.468964 0.503596 -1.432791
C -3.325817 -0.309705 0.942210
C 0.682705 -0.895287 -1.852160
C -0.709000 -0.645655 -1.640416
C -0.564156 1.167028 1.736878
C 1.840921 1.155147 2.382453
C -3.155999 1.905557 -1.991793
C -3.948934 -1.717406 0.758947
C 0.473897 1.524275 2.614224
C 4.071606 -1.177531 -1.501574
C 4.742459 0.021599 1.013967
C 5.418759 -1.116025 -1.063822
C 5.751350 -0.523421 0.179909
C -3.917434 2.231410 -3.278156
C -2.937898 -2.858973 0.652868
H -4.526588 0.474339 -1.116005
H -3.377426 -0.209344 -2.283238
H -4.114233 0.420876 1.200261
H -2.616392 -0.354248 1.782952
H 1.000825 -1.370769 -2.786754
H -1.408419 -0.969196 -2.419168
H -1.577651 1.530138 1.931289
H 2.612595 1.459640 3.097973
H -2.068829 2.049742 -2.104319
H -4.673649 -1.729253 -0.073160
H 0.234127 2.124273 3.499188
H 3.828516 -1.637543 -2.465859
H 5.010394 0.478745 1.973015
H 6.213465 -1.531515 -1.693478
H 6.798947 -0.486790 0.498622
H -5.008206 2.136509 -3.134895
H -3.702338 3.257130 -3.618521
H -3.608155 1.530765 -4.079492
H -2.306324 -2.913826 1.556315
H -3.442143 -3.830245 0.518468
H -2.274848 -2.683961 -0.216333


