%chk=000235468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235468

0 1
Br -5.494919 3.088880 0.559635
N 1.209994 2.475172 -0.992344
N -1.420454 -0.613440 -0.006170
N 0.625464 0.096340 -0.931759
N 2.673599 0.873908 -1.914589
C -2.652917 3.637011 0.271149
C -1.449733 4.521621 0.658798
C -2.292894 2.147768 0.451945
C -0.269897 4.248532 -0.276331
C -0.966342 1.797753 -0.149424
C -0.013375 2.778330 -0.467452
C -3.858533 4.027395 1.126646
C -0.593632 0.436283 -0.384945
C 1.479604 1.138028 -1.233167
C -1.089777 -2.012393 -0.395080
C 3.261122 -0.488401 -1.895948
C -2.234270 -2.920314 -0.023745
C 4.153356 -0.709767 -0.696736
C -2.471234 -3.235394 1.322636
C -3.062226 -3.455135 -1.020632
C 5.546313 -0.625550 -0.825620
C 3.584139 -0.997346 0.552455
C -3.527229 -4.083055 1.666730
C -4.115918 -4.305046 -0.671662
C -4.349901 -4.619709 0.670619
C 6.364579 -0.832331 0.289246
C 4.405493 -1.200837 1.663816
C 5.796318 -1.119837 1.533950
H -2.891844 3.814401 -0.808525
H -1.719694 5.593011 0.613123
H -1.152166 4.320595 1.706706
H -2.278411 1.890159 1.532692
H -3.094362 1.528485 -0.005249
H 0.649002 4.746667 0.104942
H -0.446961 4.704602 -1.276166
H -3.712041 3.783893 2.192545
H -4.083332 5.104882 1.045669
H -2.400660 -0.419001 0.187316
H -0.847988 -2.072803 -1.483611
H -0.150517 -2.312371 0.132249
H 3.358733 1.636597 -1.903510
H 2.445456 -1.254033 -1.921364
H 3.824772 -0.610665 -2.850604
H -1.830776 -2.816871 2.098537
H -2.886741 -3.211815 -2.067604
H 5.995648 -0.400590 -1.790791
H 2.498231 -1.055785 0.651919
H -3.708966 -4.326830 2.712406
H -4.755941 -4.721704 -1.448038
H -5.171126 -5.281498 0.940206
H 7.446375 -0.767955 0.186744
H 3.961585 -1.421980 2.632989
H 6.434493 -1.279558 2.400699


%chk=000235468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235468

0 1
Br -5.840687 3.681375 -0.713739
N 1.098608 2.618206 -0.244222
N -1.854962 -0.256676 -0.933771
N 0.410847 0.372156 -0.919468
N 2.677804 1.030854 -0.893276
C -2.964376 3.929933 0.055024
C -1.902583 4.524543 1.023613
C -2.741917 2.404735 -0.089108
C -0.488739 4.355271 0.428638
C -1.280957 2.037520 -0.292324
C -0.221082 2.940547 -0.053866
C -4.363212 4.281249 0.564277
C -0.895710 0.717889 -0.718547
C 1.347368 1.341719 -0.685995
C -1.557401 -1.624779 -1.383348
C 3.169048 -0.258896 -1.379622
C -2.088515 -2.690452 -0.428922
C 4.178256 -0.920617 -0.441890
C -1.790611 -2.628133 0.957231
C -2.867943 -3.769028 -0.913410
C 5.308417 -1.593522 -0.967971
C 3.984957 -0.902268 0.962845
C -2.259576 -3.626813 1.837465
C -3.338504 -4.772074 -0.034062
C -3.035756 -4.703518 1.344540
C 6.223935 -2.246339 -0.110658
C 4.899030 -1.550624 1.821964
C 6.021599 -2.227355 1.288224
H -2.819665 4.404360 -0.936598
H -2.102906 5.597655 1.208096
H -1.964727 4.005402 2.001220
H -3.143966 1.899832 0.818744
H -3.355942 2.045277 -0.940426
H 0.289042 4.621161 1.166831
H -0.351663 5.049135 -0.425233
H -4.608437 3.782344 1.516290
H -4.516995 5.368275 0.647633
H -2.829736 -0.020349 -0.751607
H -1.973905 -1.792927 -2.396928
H -0.456871 -1.678573 -1.462993
H 3.334721 1.786701 -0.694901
H 2.274110 -0.897610 -1.494821
H 3.621866 -0.148170 -2.386400
H -1.188475 -1.794688 1.337929
H -3.108950 -3.824737 -1.982732
H 5.474116 -1.606300 -2.052995
H 3.117912 -0.373080 1.374709
H -2.018929 -3.570622 2.905277
H -3.941820 -5.600346 -0.422631
H -3.400709 -5.478193 2.028229
H 7.094574 -2.761874 -0.531954
H 4.737754 -1.529946 2.905950
H 6.731759 -2.729328 1.954989


