%chk=000238714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238714

0 1
Br -0.501883 2.822778 -0.098890
Br -5.418845 -0.047577 -0.074755
N -0.736402 -2.482145 0.252376
N 4.983738 -0.181608 -0.020020
C 0.772763 -0.042338 0.000827
C 1.475672 0.005589 -1.222595
C 1.485510 -0.077329 1.220798
C -0.700488 -0.037272 0.008765
C 2.872914 -0.015405 -1.230449
C 2.882537 -0.097444 1.215700
C 3.577854 -0.074105 -0.010675
C -1.422196 -1.269994 0.069310
C -1.431178 1.147830 -0.045356
C 0.732179 0.095036 -2.515756
C 0.745628 -0.089159 2.517505
C -2.833097 -1.264639 0.033359
C -2.831220 1.174094 -0.066965
C -3.502134 -0.045546 -0.030934
H 3.410882 0.011388 -2.171980
H 3.427542 -0.135998 2.153003
H 0.295522 1.101810 -2.632338
H 1.368939 -0.084737 -3.390335
H -0.103076 -0.616359 -2.564908
H 1.405581 -0.135897 3.391577
H 0.126731 0.816747 2.621804
H 0.058975 -0.948653 2.578168
H -3.385930 -2.201983 0.073291
H -3.374174 2.118919 -0.110890
H 0.257391 -2.482756 0.052458
H -1.204904 -3.327867 -0.034285
H 5.471591 0.061373 0.828496
H 5.465378 0.122748 -0.852007


%chk=000238714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238714

0 1
Br -0.620986 2.931181 0.028698
Br -5.531556 -0.132041 -0.002861
N -0.700985 -2.432119 -0.023402
N 5.024204 -0.113228 0.000387
C 0.772907 -0.003038 0.000283
C 1.492362 -0.009896 -1.234132
C 1.491648 -0.035100 1.234724
C -0.727331 0.007633 -0.000038
C 2.902813 -0.048282 -1.223007
C 2.902112 -0.073115 1.223669
C 3.628691 -0.076645 0.000376
C -1.431678 -1.248654 -0.012413
C -1.515267 1.177632 0.010913
C 0.749604 0.043172 -2.558457
C 0.747975 -0.008915 2.559341
C -2.855861 -1.282537 -0.013100
C -2.928911 1.184299 0.010486
C -3.565292 -0.072379 -0.001742
H 3.448243 -0.047841 -2.175429
H 3.446955 -0.092109 2.176236
H 0.213681 1.004509 -2.670204
H 1.441817 -0.061604 -3.411385
H -0.011857 -0.755259 -2.630879
H 1.439908 -0.128003 3.410608
H 0.209408 0.948708 2.688744
H -0.011363 -0.810639 2.616073
H -3.385940 -2.239728 -0.022422
H -3.495447 2.116275 0.019390
H 0.316420 -2.389040 -0.023985
H -1.164276 -3.335626 -0.033537
H 5.544659 -0.108251 0.872336
H 5.545143 -0.089862 -0.870973


