%chk=000226037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226037

0 1
Br 6.059774 0.000303 0.193441
N -0.021053 -0.000306 -0.494078
N -0.823134 -0.000100 0.455205
C 1.397142 -0.000172 -0.200251
C -2.242341 -0.000063 0.158814
C 2.085736 -1.223553 -0.137929
C 2.085352 1.223338 -0.136383
C -2.928587 -1.223427 0.091998
C -2.928380 1.223372 0.091124
C 3.477468 -1.220031 -0.022301
C 3.477093 1.220108 -0.020777
C 4.156728 0.000112 0.034123
C -4.319861 -1.212084 -0.032317
C -4.319655 1.212178 -0.033179
C -5.015578 0.000084 -0.094287
H 1.540843 -2.166107 -0.181952
H 1.540171 2.165780 -0.179188
H -2.384784 -2.164901 0.139307
H -2.384414 2.164786 0.137754
H 4.021481 -2.165493 0.025116
H 4.020805 2.165684 0.027820
H -4.863969 -2.155023 -0.083261
H -4.863604 2.155173 -0.084796
H -6.099833 0.000143 -0.191704


%chk=000226037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226037

0 1
Br 6.099579 0.009253 0.334216
N -0.034061 0.001767 -0.565199
N -0.811499 -0.000891 0.488144
C 1.366460 0.003291 -0.264199
C -2.214643 -0.002799 0.197241
C 2.227997 0.007000 -1.391864
C 1.920457 0.001005 1.048011
C -3.063732 -0.003584 1.335527
C -2.776776 -0.004475 -1.111929
C 3.628440 0.008776 -1.225679
C 3.315427 0.002798 1.223535
C 4.154686 0.006728 0.083525
C -4.464771 -0.005412 1.172870
C -4.175178 -0.006449 -1.264813
C -5.023594 -0.006812 -0.126890
H 1.780354 0.008591 -2.390747
H 1.242629 -0.002223 1.906726
H -2.600725 -0.002756 2.327830
H -2.103426 -0.004342 -1.974410
H 4.293188 0.011632 -2.093620
H 3.750271 0.001133 2.227178
H -5.118082 -0.005975 2.051902
H -4.613937 -0.008040 -2.268921
H -6.111664 -0.008415 -0.256134


