%chk=000284686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284686

0 1
Br -3.481573 -3.118271 -0.336330
N -3.839962 -0.736902 0.064062
N -2.493561 -0.340614 0.155163
C -4.272308 2.196720 0.975797
C -5.209014 2.071246 -0.231764
C -4.320741 1.016162 1.952989
C -4.555503 1.299823 -1.384974
C -4.567507 -0.365064 1.328796
C -4.525274 -0.219591 -1.174265
C -1.603700 -1.074316 -0.446890
C -0.169887 -0.706941 -0.320944
C -1.918004 -2.315325 -1.226695
C 0.715303 -1.567880 0.345794
C 0.297523 0.495098 -0.870996
C 2.538448 -0.036238 -0.112674
C 2.066071 -1.232982 0.448225
C 1.650272 0.827400 -0.769900
C 3.973452 0.316761 -0.004645
C 4.433062 1.050768 1.098911
C 4.871989 -0.082699 -1.004971
C 5.786944 1.382302 1.198384
C 6.224594 0.252367 -0.898826
C 6.683487 0.984240 0.201234
H -3.227620 2.314473 0.616951
H -4.505454 3.126915 1.528933
H -6.160226 1.591637 0.064811
H -5.483338 3.084187 -0.586507
H -3.357140 0.989227 2.504688
H -5.105168 1.193277 2.714170
H -5.097746 1.514381 -2.326724
H -3.523052 1.673430 -1.538943
H -4.278487 -1.147015 2.071098
H -5.651680 -0.503157 1.128699
H -5.562107 -0.623363 -1.137489
H -4.038700 -0.697183 -2.053104
H -1.106136 -3.061457 -1.219995
H -2.190603 -2.106200 -2.274451
H 0.345102 -2.489207 0.795343
H -0.397251 1.172647 -1.366329
H 2.756196 -1.897129 0.967499
H 2.016926 1.760216 -1.196732
H 3.733609 1.359745 1.874314
H 4.513636 -0.652342 -1.860580
H 6.143716 1.951977 2.054960
H 6.922180 -0.057738 -1.675072
H 7.737232 1.243713 0.281378


%chk=000284686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284686

0 1
Br -2.209405 -3.671674 -0.614757
N -3.612831 0.099973 0.659377
N -2.278390 0.099662 0.483805
C -4.967418 2.233450 -0.829294
C -6.034494 1.107205 -0.925665
C -4.391381 2.515760 0.585158
C -5.427373 -0.310473 -1.092533
C -4.115003 1.251522 1.443399
C -4.653257 -0.837118 0.141617
C -1.524367 -0.694302 -0.293426
C -0.050314 -0.499454 -0.131596
C -1.993967 -1.663536 -1.311958
C 0.884178 -1.450998 -0.627761
C 0.472274 0.652184 0.524320
C 2.794892 -0.094766 0.150062
C 2.271841 -1.249956 -0.489432
C 1.856497 0.849862 0.657137
C 4.262815 0.118385 0.290056
C 5.154182 -0.981788 0.437087
C 4.818508 1.428937 0.281273
C 6.544562 -0.780495 0.567586
C 6.208476 1.632358 0.414634
C 7.081035 0.528371 0.557897
H -4.134344 1.977177 -1.514288
H -5.396564 3.179054 -1.213604
H -6.706012 1.133931 -0.042383
H -6.678200 1.302886 -1.804997
H -3.451490 3.088175 0.469748
H -5.089943 3.159592 1.156123
H -6.232845 -1.040820 -1.308784
H -4.763602 -0.300352 -1.981037
H -3.369665 1.478597 2.224003
H -5.045922 0.923767 1.941032
H -5.369593 -0.986666 0.973246
H -4.196532 -1.820226 -0.055340
H -1.268545 -1.806781 -2.122829
H -2.992073 -1.468729 -1.719299
H 0.535657 -2.374088 -1.103178
H -0.233910 1.380518 0.932684
H 2.958555 -1.994676 -0.907324
H 2.219467 1.737691 1.187905
H 4.751817 -2.000203 0.481203
H 4.159373 2.292712 0.137964
H 7.208727 -1.644000 0.687892
H 6.612015 2.651236 0.396141
H 8.160568 0.685191 0.660532


