%chk=000213843.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213843

0 1
Br 5.829148 -1.299764 -0.291711
Cl 0.498580 -1.763397 1.127606
N -2.080211 1.465243 -0.315666
N 0.004420 0.473964 -0.841898
C -2.806489 1.937373 0.904806
C -1.720761 2.208810 1.967385
C -0.413984 1.627729 1.401841
C -0.756289 1.094979 0.019605
C -2.840401 0.685139 -1.324857
C -3.167899 -0.758557 -0.912578
C -4.413765 -0.864333 -0.025671
C -4.665173 -2.300051 0.426344
C 1.352921 0.130131 -0.615043
C 1.715498 -0.952070 0.219515
C 2.368997 0.776392 -1.352523
C 3.035487 -1.391974 0.319500
C 3.691903 0.349254 -1.257307
C 4.013012 -0.726383 -0.421859
H -3.547431 1.180989 1.259176
H -3.364252 2.858104 0.637539
H -1.982558 1.742664 2.932362
H -1.619688 3.291413 2.159742
H -0.017040 0.815604 2.041708
H 0.383980 2.390897 1.340550
H -3.764241 1.253139 -1.566822
H -2.217070 0.668955 -2.254205
H -2.291233 -1.212087 -0.403473
H -3.307019 -1.370092 -1.826410
H -5.299188 -0.483265 -0.571009
H -4.296371 -0.205427 0.864513
H -3.821477 -2.695704 1.004314
H -5.557691 -2.368680 1.057941
H -4.815306 -2.971711 -0.427238
H 2.101804 1.604164 -2.010772
H 3.288111 -2.237295 0.963781
H 4.468674 0.854248 -1.835087


%chk=000213843-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213843

0 1
Br 5.869977 -1.296341 -0.250595
Cl 0.483363 -1.787369 1.464980
N -2.167069 1.305478 -0.051222
N -0.096122 0.405349 -0.721797
C -2.796390 2.066155 1.050371
C -1.580802 2.661177 1.814097
C -0.420775 1.678562 1.498567
C -0.825694 1.055112 0.159054
C -2.902652 0.769120 -1.208910
C -3.264838 -0.731940 -1.090430
C -4.218905 -1.076022 0.074905
C -4.611642 -2.569299 0.090388
C 1.245663 0.055754 -0.533359
C 1.696460 -0.946008 0.378706
C 2.249358 0.622764 -1.377637
C 3.039285 -1.357102 0.473623
C 3.603109 0.241313 -1.303100
C 3.986964 -0.746367 -0.371588
H -3.401950 1.401304 1.700034
H -3.467540 2.847069 0.647181
H -1.778288 2.756846 2.894207
H -1.344352 3.664478 1.418327
H -0.340842 0.876222 2.255734
H 0.564664 2.168452 1.430432
H -3.818336 1.377801 -1.338779
H -2.261359 0.908993 -2.099612
H -2.326776 -1.310493 -0.993469
H -3.731802 -1.040594 -2.048696
H -5.134093 -0.451376 0.003532
H -3.732777 -0.819057 1.037013
H -3.716134 -3.210241 0.192556
H -5.292166 -2.801299 0.930172
H -5.122580 -2.854627 -0.848616
H 1.928859 1.373606 -2.106472
H 3.329718 -2.132713 1.186363
H 4.343462 0.703693 -1.961860


