%chk=000264811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264811

0 1
Br -4.382267 -0.464493 -0.364190
N 1.557326 0.848414 0.501022
N 1.918244 2.180432 0.125919
C 2.569303 -0.210655 0.133714
C 2.087044 -1.532220 0.758298
C 0.725660 -1.955501 0.201773
C -0.243573 -0.809228 0.122189
C 0.182846 0.542818 0.185934
C 2.813588 -0.334551 -1.374063
C -1.605623 -1.094518 -0.037141
C -0.771491 1.576326 0.080866
C -2.526318 -0.052905 -0.139035
C -2.124085 1.282002 -0.081406
H 3.529142 0.090106 0.633546
H 2.014279 -1.405875 1.859424
H 2.837290 -2.325911 0.587962
H 0.306682 -2.766943 0.833272
H 0.846258 -2.396171 -0.811278
H 1.874756 -0.482125 -1.925378
H 3.300127 0.551563 -1.792911
H 3.455863 -1.193096 -1.601552
H -1.939807 -2.131911 -0.082289
H -0.449275 2.619558 0.132016
H 2.493949 2.562387 0.883932
H 2.475045 2.215839 -0.733260
H -2.851265 2.090758 -0.159867


%chk=000264811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000264811

0 1
Br -4.534573 -0.439061 -0.148098
N 1.537949 0.834553 0.237581
N 1.941033 2.180936 0.116178
C 2.571428 -0.226737 0.102889
C 2.043571 -1.530514 0.747433
C 0.708339 -1.969590 0.109633
C -0.290972 -0.820126 0.081079
C 0.158144 0.540425 0.125124
C 3.024832 -0.418283 -1.367812
C -1.677498 -1.085664 0.008147
C -0.802254 1.589344 0.080937
C -2.607878 -0.030982 -0.035885
C -2.180738 1.311207 -0.000216
H 3.445353 0.120442 0.691376
H 1.895357 -1.352533 1.829131
H 2.805796 -2.324124 0.638087
H 0.285189 -2.823770 0.669900
H 0.890800 -2.339025 -0.920332
H 2.184703 -0.741333 -2.007045
H 3.429345 0.522659 -1.786312
H 3.824098 -1.179691 -1.429708
H -2.021562 -2.125525 -0.015407
H -0.441237 2.619919 0.112847
H 2.464505 2.527241 0.925614
H 2.344704 2.433737 -0.794244
H -2.904739 2.130596 -0.033400


