%chk=000289846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289846

0 1
Br 0.224696 -3.422086 -0.086013
N 1.659570 -1.256120 -0.083566
N 3.402835 0.337374 0.021240
C -0.327066 0.761272 -0.003606
C 1.055925 1.124114 -0.033823
C -0.697825 -0.617519 -0.005704
C 2.017816 0.101913 -0.059803
C -1.381798 1.733391 0.031158
C -2.073763 -0.995244 0.028102
C 1.487897 2.552648 -0.021639
C 0.378764 -1.550510 -0.047384
C -2.696339 1.347170 0.062401
C -3.051875 -0.034711 0.060994
H -1.107722 2.790190 0.034757
H -2.329048 -2.056740 0.027774
H 2.169504 2.753813 0.819722
H 2.003007 2.827119 -0.952507
H 0.641322 3.247656 0.088744
H -3.494457 2.089719 0.089563
H -4.105374 -0.306330 0.087239
H 3.744905 1.172763 -0.430514
H 3.994624 -0.472482 -0.138736


%chk=000289846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289846

0 1
Br 0.042000 -3.525828 -0.032459
N 1.673566 -1.230210 -0.085311
N 3.387759 0.342565 -0.146157
C -0.325834 0.772784 -0.005502
C 1.061239 1.149227 -0.038438
C -0.696215 -0.641254 -0.005528
C 2.022267 0.109922 -0.089025
C -1.400083 1.730227 0.025663
C -2.073134 -1.023349 0.028751
C 1.549430 2.584152 -0.028629
C 0.402100 -1.565382 -0.042387
C -2.735533 1.327467 0.058278
C -3.081927 -0.060005 0.061053
H -1.169925 2.799738 0.018271
H -2.320394 -2.089430 0.028866
H 2.300653 2.743654 0.771016
H 2.024440 2.859486 -0.992306
H 0.740168 3.307385 0.150014
H -3.529685 2.082312 0.080223
H -4.134134 -0.361369 0.086915
H 3.772954 1.280170 -0.184515
H 4.005886 -0.464864 -0.170394


