%chk=000242399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242399

0 1
Br 6.014223 -0.752538 -0.000580
N -0.049733 -1.408706 -0.000755
C 1.021024 1.245676 0.000349
C -0.376028 1.019041 0.000311
C 1.915621 0.096899 -0.000182
C -0.852813 -0.366606 -0.000173
C 1.342898 -1.201078 -0.000846
C -2.318527 -0.630340 0.000044
C 1.500508 2.581202 0.000833
C -1.266876 2.120448 0.000691
C 3.328636 0.218116 -0.000088
C 2.174086 -2.356027 -0.001589
C 0.616087 3.643599 0.001205
C -0.778409 3.413582 0.001116
C 4.109576 -0.920243 -0.000747
C 3.547231 -2.216794 -0.001541
C -3.003902 -0.752064 -1.216747
C -3.003302 -0.753201 1.217064
C -4.381599 -0.987414 -1.211441
C -4.381000 -0.988544 1.212218
C -5.070456 -1.103335 0.000504
H 2.576145 2.761836 0.000892
H -2.343318 1.935193 0.000639
H 3.779870 1.213136 0.000521
H 1.701196 -3.341370 -0.002185
H 0.987020 4.668891 0.001569
H -1.460496 4.262779 0.001374
H 4.195041 -3.095504 -0.002109
H -2.462559 -0.672903 -2.158640
H -2.461493 -0.674918 2.158762
H -4.917819 -1.085169 -2.154252
H -4.916756 -1.087178 2.155201
H -6.143375 -1.288266 0.000683


%chk=000242399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242399

0 1
Br 6.105958 -0.789189 -0.001138
N -0.038714 -1.409069 -0.000568
C 1.057680 1.269941 0.000282
C -0.364505 1.031178 0.000393
C 1.947696 0.110583 -0.000265
C -0.851213 -0.349804 -0.000055
C 1.347526 -1.198246 -0.000678
C -2.331547 -0.623181 0.000070
C 1.524412 2.618366 0.000708
C -1.265271 2.139903 0.000926
C 3.370847 0.210178 -0.000409
C 2.176012 -2.358628 -0.001230
C 0.623365 3.691590 0.001227
C -0.780641 3.453592 0.001339
C 4.148471 -0.951208 -0.000952
C 3.571876 -2.250142 -0.001373
C -3.036595 -0.753107 -1.222398
C -3.036124 -0.754427 1.222670
C -4.425288 -1.015551 -1.222445
C -4.424818 -1.016866 1.222969
C -5.123541 -1.146782 0.000326
H 2.598610 2.827376 0.000628
H -2.342504 1.946826 0.001007
H 3.863134 1.185655 -0.000092
H 1.681082 -3.334092 -0.001536
H 1.000586 4.720076 0.001548
H -1.477269 4.298687 0.001747
H 4.207671 -3.139549 -0.001798
H -2.495122 -0.659383 -2.170573
H -2.494282 -0.661734 2.170734
H -4.958813 -1.120366 -2.173788
H -4.957977 -1.122704 2.174403
H -6.200000 -1.351724 0.000423


