%chk=000205668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205668

0 1
Br 4.326186 0.228595 -0.498228
N -3.937872 -0.762697 -0.145797
C -2.578394 -0.237254 -0.463841
C -1.706236 -0.374068 0.808058
C -0.246061 -0.224081 0.493979
C -2.599070 1.211619 -0.973002
C 0.460782 -1.288420 -0.090866
C 0.424719 0.975525 0.780307
C 1.819357 -1.158847 -0.387471
C 1.784555 1.114477 0.488333
C 2.465794 0.044168 -0.093877
H -2.154225 -0.899093 -1.266327
H -1.897864 -1.370315 1.267822
H -2.027705 0.358201 1.573863
H -1.582623 1.563322 -1.192883
H -3.024205 1.904187 -0.240239
H -3.177479 1.308312 -1.897195
H -0.052740 -2.223604 -0.313975
H -0.113720 1.806331 1.233893
H -4.535417 -0.742006 -0.966788
H -4.395401 -0.204503 0.568083
H 2.362136 -1.989293 -0.840752
H 2.299684 2.048542 0.715302


%chk=000205668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205668

0 1
Br 4.415014 0.300332 -0.492932
N -4.017069 -0.666941 -0.070741
C -2.642568 -0.255550 -0.454246
C -1.732370 -0.406375 0.801975
C -0.250737 -0.232659 0.513355
C -2.558557 1.165070 -1.069989
C 0.481015 -1.265371 -0.129767
C 0.438215 0.958884 0.853516
C 1.853380 -1.119913 -0.431975
C 1.811993 1.127556 0.562413
C 2.502312 0.081871 -0.081289
H -2.291519 -0.987394 -1.209072
H -1.934152 -1.411951 1.215117
H -2.060954 0.331474 1.562217
H -1.527517 1.419455 -1.376651
H -2.896108 1.924281 -0.336989
H -3.209186 1.239408 -1.961346
H -0.023953 -2.202995 -0.392244
H -0.100971 1.770725 1.356046
H -4.656647 -0.738153 -0.871106
H -4.419310 -0.068272 0.662296
H 2.404490 -1.926533 -0.924113
H 2.329399 2.052149 0.833925


