%chk=000219767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219767

0 1
Br -6.108743 2.648914 0.213008
N 2.531917 -0.553380 -0.000147
N -2.153611 -0.970905 0.054526
N 2.193874 -1.892881 -0.050296
N 1.226289 1.599446 0.109128
N -1.191105 1.238311 0.123774
C 0.257754 -0.689064 0.030866
C 1.369071 0.231126 0.051897
C -1.051830 -0.121065 0.070747
C 3.917369 -0.144951 -0.017915
C 0.851949 -1.996109 -0.031921
C -3.544854 -0.637705 0.086700
C 4.263727 1.173271 0.320009
C 4.905085 -1.083055 -0.373945
C -0.057265 2.021731 0.139829
C -4.040361 0.675444 0.128820
C -4.438281 -1.735338 0.072051
C 5.609698 1.547398 0.293659
C 6.242672 -0.687005 -0.389510
C 6.599132 0.625056 -0.058327
C -5.422380 0.861676 0.155646
C -5.812297 -1.507229 0.099801
C -6.322002 -0.203593 0.142073
H 0.345892 -2.948496 -0.060989
H -1.942129 -1.973115 0.016620
H 3.502871 1.909463 0.595816
H 4.631264 -2.108613 -0.630842
H -0.234103 3.111468 0.183703
H -3.362685 1.539941 0.140779
H -4.066417 -2.757129 0.039630
H 5.884484 2.570403 0.551965
H 7.013042 -1.407867 -0.663406
H 7.645084 0.926178 -0.075005
H -6.500732 -2.353619 0.088581
H -7.398077 -0.034509 0.163676


%chk=000219767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219767

0 1
Br -6.168540 2.669333 0.488545
N 2.526602 -0.526702 -0.053900
N -2.160441 -0.930169 0.005374
N 2.213254 -1.893833 -0.183980
N 1.247244 1.595306 0.187182
N -1.182863 1.246901 0.208006
C 0.264751 -0.679620 -0.019972
C 1.364637 0.236489 0.047646
C -1.048566 -0.106644 0.065949
C 3.908079 -0.128683 -0.044315
C 0.861166 -1.975018 -0.159613
C -3.548865 -0.634033 0.069117
C 4.260334 1.239968 0.063492
C 4.907104 -1.128210 -0.146493
C -0.043766 2.009012 0.259919
C -4.063052 0.682329 0.222601
C -4.443197 -1.736422 -0.027915
C 5.625633 1.597160 0.066716
C 6.264898 -0.750010 -0.140910
C 6.633411 0.611653 -0.035072
C -5.458340 0.848621 0.275114
C -5.833655 -1.527317 0.028609
C -6.366033 -0.225541 0.182007
H 0.401013 -2.958582 -0.246784
H -1.947866 -1.924016 -0.103365
H 3.476754 1.996816 0.143945
H 4.609009 -2.175511 -0.228715
H -0.202095 3.085362 0.373187
H -3.367860 1.519525 0.294309
H -4.050519 -2.754157 -0.147212
H 5.898778 2.654806 0.149577
H 7.036758 -1.523348 -0.219721
H 7.690237 0.899163 -0.031765
H -6.514543 -2.381299 -0.046891
H -7.445158 -0.059130 0.226329


