%chk=000280799.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280799

0 1
Br -0.607617 2.835648 -0.000782
N 3.567942 -0.348091 0.000342
C -2.166843 -0.033347 0.000064
C -0.651993 -0.074663 0.000134
C -2.719898 -0.698571 1.268244
C -2.719726 -0.698682 -1.268133
C 0.157316 1.064718 -0.000211
C 0.002941 -1.324433 0.000538
C 1.548917 1.006085 -0.000177
C 1.386434 -1.434155 0.000594
C 2.177749 -0.258953 0.000232
H -2.523879 1.028968 0.000007
H -2.298666 -0.235065 2.168187
H -2.487727 -1.767202 1.310381
H -3.808968 -0.597662 1.321867
H -2.298446 -0.235191 -2.168060
H -3.808799 -0.597867 -1.321868
H -2.487453 -1.767294 -1.310188
H -0.602192 -2.233772 0.000808
H 2.146850 1.914477 -0.000446
H 1.856718 -2.412599 0.000920
H 4.029602 -1.234970 0.000387
H 4.139339 0.472923 -0.000140


%chk=000280799-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280799

0 1
Br -0.591916 2.892511 -0.000865
N 3.628125 -0.348972 0.000276
C -2.190720 -0.041566 0.000083
C -0.660442 -0.075157 0.000150
C -2.772627 -0.700218 1.279345
C -2.772455 -0.700280 -1.279231
C 0.178448 1.065248 -0.000225
C 0.024367 -1.323888 0.000554
C 1.585546 1.002535 -0.000198
C 1.424097 -1.434698 0.000593
C 2.234880 -0.262869 0.000219
H -2.507272 1.017248 0.000037
H -2.390207 -0.205160 2.190018
H -2.504905 -1.772105 1.337607
H -3.876445 -0.628515 1.282553
H -2.389978 -0.205204 -2.189871
H -3.876279 -0.628666 -1.282558
H -2.504622 -1.772142 -1.337441
H -0.574821 -2.242258 0.000851
H 2.177224 1.923669 -0.000494
H 1.896420 -2.424375 0.000919
H 4.091513 -1.252400 0.000468
H 4.203669 0.487565 -0.000088


