%chk=000229550.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229550

0 1
Br 3.787331 -2.281446 0.473732
N 0.122821 2.521244 -0.426360
C 0.395756 0.115157 0.020790
C -1.065150 -0.109914 0.009909
C 0.948707 1.413280 -0.151178
C 1.252413 -0.976226 0.202859
C -1.718809 -0.522573 1.181808
C -1.800944 0.077597 -1.171114
C 2.352132 1.586374 -0.123655
C 2.634307 -0.781375 0.219551
C 3.191126 0.490488 0.055904
C -3.098553 -0.742403 1.169661
C -3.179924 -0.145782 -1.176038
C -3.830699 -0.554301 -0.007175
H 0.828809 -1.975985 0.328936
H -1.148203 -0.672175 2.097134
H -1.290501 0.391301 -2.081862
H 2.781099 2.576785 -0.257891
H 4.273794 0.630050 0.069299
H -3.604039 -1.063476 2.079196
H -3.748242 -0.004476 -2.094225
H -4.904854 -0.728746 -0.014259
H 0.500971 3.434120 -0.222044
H -0.855348 2.437282 -0.181779


%chk=000229550-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229550

0 1
Br 3.812938 -2.290165 0.832146
N 0.179432 2.544788 -0.520074
C 0.398689 0.148890 0.044926
C -1.078428 -0.080399 0.035508
C 0.976656 1.431575 -0.250514
C 1.260674 -0.929313 0.372625
C -1.708357 -0.750572 1.120756
C -1.886537 0.317591 -1.067864
C 2.395050 1.569314 -0.237970
C 2.656290 -0.760592 0.385951
C 3.237309 0.485295 0.074172
C -3.096529 -1.007936 1.109037
C -3.275341 0.060783 -1.079213
C -3.888408 -0.600261 0.010436
H 0.823447 -1.909570 0.586207
H -1.104489 -1.052341 1.984345
H -1.415808 0.788731 -1.938617
H 2.841868 2.544749 -0.464936
H 4.323530 0.614221 0.077772
H -3.560384 -1.521786 1.958534
H -3.875256 0.364299 -1.944772
H -4.965681 -0.799226 0.001220
H 0.605705 3.457490 -0.651206
H -0.832372 2.489233 -0.437269


