%chk=000179771.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179771

0 1
Br 4.818411 -0.007051 0.205950
N -1.232630 -0.121041 -0.606164
N -3.511125 -0.487038 -0.221434
N -2.092564 0.055896 1.682863
N -4.532621 0.404641 0.248491
C 0.154723 -0.090398 -0.331325
C 0.761800 -0.858238 0.683706
C 0.952859 0.694681 -1.194660
C 2.149121 -0.837674 0.837190
C 2.335844 0.714040 -1.034832
C 2.920075 -0.047673 -0.016723
C -2.197773 -0.120756 0.288431
H 0.154377 -1.491040 1.329691
H 0.477773 1.271854 -1.987723
H 2.617941 -1.437672 1.618727
H 2.953280 1.319015 -1.700861
H -3.483407 -0.587360 -1.256759
H -1.273937 0.549029 2.018223
H -2.936371 0.289432 2.193316
H -5.230197 -0.174544 0.735146
H -5.015379 0.866299 -0.527656


%chk=000179771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179771

0 1
Br 4.897534 -0.103601 0.366477
N -1.221792 -0.033430 -0.744148
N -3.498183 -0.159338 -0.343934
N -2.123655 0.301284 1.498009
N -4.616549 0.035035 0.479070
C 0.146298 -0.046691 -0.416707
C 0.706138 -0.776084 0.680467
C 1.047704 0.640412 -1.284155
C 2.099807 -0.798240 0.908960
C 2.438480 0.630174 -1.058849
C 2.953453 -0.086178 0.043289
C -2.195136 0.032108 0.144196
H 0.052945 -1.371357 1.329449
H 0.629420 1.178316 -2.140478
H 2.510620 -1.371745 1.745840
H 3.110105 1.169359 -1.733820
H -3.567094 -0.321486 -1.352792
H -1.230361 0.525369 1.926736
H -3.006332 0.399200 2.002195
H -5.171379 -0.810357 0.645695
H -5.171822 0.871653 0.268098


