%chk=000246596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246596

0 1
Br 6.664339 -0.348076 -0.302332
O -1.537237 0.632576 0.166747
O -0.316703 -1.049354 -0.797071
N 0.686982 0.783454 0.298080
C -2.808321 -0.034576 -0.222091
C -3.093032 -1.129899 0.805563
C -3.802886 1.126334 -0.171353
C -4.529759 -1.640809 0.644006
C -5.233090 0.594476 -0.327212
C -5.544412 -0.490789 0.713065
C -0.369430 -0.005515 -0.183883
C 2.071581 0.479965 0.132996
C 3.002354 1.387761 0.682860
C 2.511717 -0.671620 -0.545437
C 4.367773 1.136374 0.550302
C 3.878918 -0.913657 -0.672476
C 4.794602 -0.010286 -0.124951
H -2.671433 -0.443137 -1.245495
H -2.935430 -0.736091 1.828730
H -2.368689 -1.960186 0.683675
H -3.570002 1.865667 -0.960373
H -3.693109 1.669256 0.789287
H -4.749536 -2.387199 1.430956
H -4.631682 -2.177285 -0.319784
H -5.375278 0.189272 -1.348178
H -5.952031 1.430024 -0.228665
H -6.567189 -0.881262 0.554672
H -5.539562 -0.048409 1.728140
H 0.442400 1.643282 0.799570
H 2.669761 2.280288 1.208375
H 1.788646 -1.376713 -0.973277
H 5.091211 1.835852 0.974136
H 4.222725 -1.807118 -1.198879


%chk=000246596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246596

0 1
Br 6.810870 -0.323710 -0.403328
O -1.512362 0.679696 0.272773
O -0.334209 -1.045630 -0.830084
N 0.741103 0.736701 0.308476
C -2.818252 0.027958 -0.085035
C -3.161363 -1.054999 0.953049
C -3.862564 1.150959 -0.124984
C -4.566550 -1.642767 0.666484
C -5.268632 0.563484 -0.409309
C -5.642079 -0.531052 0.620194
C -0.351995 0.012410 -0.150370
C 2.116552 0.449083 0.115875
C 3.061318 1.342509 0.688641
C 2.575436 -0.679510 -0.614528
C 4.444854 1.120406 0.539230
C 3.961077 -0.901712 -0.763463
C 4.883203 -0.004818 -0.188617
H -2.692863 -0.436502 -1.082522
H -3.147252 -0.595307 1.961380
H -2.395081 -1.850771 0.930869
H -3.583774 1.894639 -0.894139
H -3.865873 1.670732 0.853470
H -4.817874 -2.393394 1.439284
H -4.550249 -2.178597 -0.304826
H -5.286774 0.126326 -1.428912
H -6.017998 1.377290 -0.398407
H -6.629421 -0.965271 0.372160
H -5.735084 -0.070335 1.625341
H 0.502470 1.573839 0.844737
H 2.718987 2.217469 1.254773
H 1.852912 -1.368651 -1.055975
H 5.164135 1.813989 0.983445
H 4.311529 -1.771866 -1.325977


