%chk=000285293.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285293

0 1
Br 4.636311 0.431576 -0.096878
N -1.315236 -0.515305 0.025884
N -0.622501 1.677194 -0.001706
C -2.461539 -1.440921 0.054104
C -3.685352 -0.478711 0.072388
C -3.166718 0.988298 0.052399
C -1.683989 0.864938 0.024263
C 0.078621 -0.578551 -0.001011
C 0.500184 0.810947 -0.018131
C 1.007033 -1.631343 -0.012473
C 1.869696 1.123521 -0.046938
C 2.351801 -1.294666 -0.041008
C 2.758616 0.061097 -0.057623
H -2.426202 -2.087943 0.955273
H -2.461543 -2.098805 -0.839885
H -4.300137 -0.655445 0.971413
H -4.335739 -0.667028 -0.798844
H -3.505665 1.555526 0.941965
H -3.540212 1.543599 -0.830830
H 0.679958 -2.666412 0.000508
H 2.189942 2.166815 -0.059912
H 3.107371 -2.082481 -0.050858


%chk=000285293-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285293

0 1
Br 4.702854 0.445839 -0.098618
N -1.325940 -0.505728 0.026149
N -0.633390 1.680302 -0.001351
C -2.457854 -1.438755 0.054355
C -3.707399 -0.482075 0.072453
C -3.178202 0.999117 0.052844
C -1.683330 0.849692 0.024590
C 0.065751 -0.573361 -0.000964
C 0.486380 0.811033 -0.017998
C 0.991585 -1.637408 -0.012253
C 1.862932 1.131303 -0.047004
C 2.363161 -1.305610 -0.041194
C 2.771009 0.057560 -0.057932
H -2.413474 -2.082153 0.952135
H -2.448276 -2.093785 -0.836023
H -4.315128 -0.667248 0.973107
H -4.349368 -0.678487 -0.801657
H -3.502666 1.567579 0.942109
H -3.537153 1.556175 -0.830375
H 0.675617 -2.685901 0.000662
H 2.188967 2.174372 -0.060041
H 3.118625 -2.096561 -0.050895


