%chk=000238018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238018

0 1
Br 2.229560 2.907752 0.016628
Br -5.957741 -0.830132 -0.143801
N -0.135271 1.060133 -0.054620
N 1.016791 -1.045119 0.058857
N 3.485776 -1.048182 0.136073
N 2.238469 -3.055463 0.225852
C 1.042899 0.325511 0.022353
C -1.470824 0.541810 -0.077165
C 2.279706 1.033791 0.048897
C 3.487574 0.311657 0.104413
C -2.455487 1.374274 -0.656272
C -1.833089 -0.694437 0.484947
C 2.247499 -1.681256 0.127425
C 4.810106 0.991105 0.126051
C -3.787706 0.964505 -0.673573
C -3.168695 -1.099698 0.460420
C -4.132777 -0.269913 -0.116215
H -0.060045 2.077429 -0.192872
H -2.185449 2.332089 -1.097854
H -1.080195 -1.345870 0.938165
H 4.903821 1.651179 1.003999
H 5.647652 0.274247 0.161715
H 4.950999 1.620197 -0.767816
H -4.547923 1.606435 -1.122723
H -3.448616 -2.061353 0.895422
H 1.377166 -3.562725 0.094101
H 3.107403 -3.564465 0.160491


%chk=000238018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238018

0 1
Br 2.283519 2.959778 -0.388556
Br -6.113352 -0.752488 -0.168318
N -0.147443 0.958649 -0.159776
N 1.072625 -1.059840 0.205358
N 3.523411 -1.030972 0.294325
N 2.312705 -3.010046 0.563110
C 1.055056 0.288329 -0.008749
C -1.486432 0.492245 -0.147086
C 2.294459 1.012242 -0.077107
C 3.516689 0.324658 0.078013
C -2.502324 1.472938 -0.329302
C -1.862324 -0.866595 0.030325
C 2.300525 -1.652408 0.346845
C 4.861625 1.005964 0.019020
C -3.863501 1.113673 -0.336496
C -3.226992 -1.227126 0.022958
C -4.215688 -0.240585 -0.159659
H -0.041625 1.966771 -0.310546
H -2.229755 2.527040 -0.466986
H -1.082936 -1.615388 0.170695
H 4.950787 1.783705 0.799447
H 5.649045 0.252059 0.165655
H 5.013233 1.508235 -0.953902
H -4.633049 1.877586 -0.477521
H -3.510488 -2.274946 0.159478
H 1.436579 -3.520980 0.616954
H 3.207255 -3.478997 0.674722


