%chk=000206016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206016

0 1
Br 5.200126 0.155337 -0.641108
O -1.146572 -1.145033 1.520095
N -3.113753 0.048265 -0.477663
N -5.048241 1.209820 -0.299826
C 0.601914 -0.030455 0.322019
C -0.882036 -0.047436 0.629952
C 1.253876 1.220410 0.266972
C 1.308566 -1.224284 0.079244
C -1.693999 -0.256423 -0.678482
C 2.635035 1.280980 -0.014018
C 2.692761 -1.172099 -0.208794
C 3.320591 0.079191 -0.246641
C 0.479944 2.485022 0.481309
C 0.600252 -2.539524 0.135675
C 3.370659 2.580458 -0.067826
C 3.485839 -2.411209 -0.469242
C -4.086230 -0.847061 -0.006247
C -3.741340 1.299422 -0.636713
C -5.270170 -0.111044 0.090239
H -1.204319 0.889462 1.151058
H -1.279000 0.378552 -1.494055
H -1.570042 -1.318879 -1.009099
H -0.281449 2.382074 1.270452
H 1.128220 3.324256 0.785070
H -0.029065 2.795035 -0.442027
H 0.303703 -2.764478 1.177355
H 1.212655 -3.379883 -0.221998
H -0.330471 -2.531401 -0.450904
H 4.214570 2.593660 0.640481
H 3.785424 2.763772 -1.071157
H 2.738294 3.445294 0.182201
H 2.874574 -3.326835 -0.431344
H 4.289008 -2.534145 0.274398
H 3.960553 -2.385972 -1.462239
H -2.012711 -1.012791 1.962484
H -3.888236 -1.880536 0.197594
H -3.237510 2.183120 -0.991596
H -6.244022 -0.442844 0.405682


%chk=000206016-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206016

0 1
Br 5.279160 -0.020389 -0.692648
O -1.299847 -0.774218 1.681990
N -3.150796 -0.057130 -0.527101
N -5.205003 0.901635 -0.357099
C 0.605420 0.056152 0.339913
C -0.903430 0.128202 0.580099
C 1.335983 1.284513 0.318160
C 1.257670 -1.187167 0.075976
C -1.698255 -0.188652 -0.726173
C 2.731652 1.292039 0.007367
C 2.650490 -1.198594 -0.245696
C 3.337022 0.040993 -0.267755
C 0.643898 2.608806 0.636120
C 0.516502 -2.519710 0.144964
C 3.506240 2.599894 -0.020666
C 3.376991 -2.493922 -0.561720
C -4.004983 -1.026922 0.026771
C -3.922958 1.087365 -0.731790
C -5.261506 -0.419692 0.116751
H -1.182187 1.156988 0.868842
H -1.385785 0.517694 -1.516199
H -1.473138 -1.208979 -1.074997
H 0.126899 2.569777 1.612752
H 1.358613 3.441202 0.687012
H -0.110340 2.881109 -0.127838
H 1.065643 -3.237068 0.780809
H 0.419706 -2.983379 -0.856461
H -0.478003 -2.402198 0.594164
H 3.521329 3.078448 0.976760
H 4.550315 2.446332 -0.326767
H 3.053609 3.319793 -0.727196
H 2.691709 -3.349598 -0.633893
H 4.132792 -2.724907 0.212802
H 3.924756 -2.414523 -1.517720
H -2.241052 -0.573437 1.927879
H -3.662555 -2.033605 0.252026
H -3.516468 2.001158 -1.160433
H -6.192697 -0.846210 0.482295


