%chk=000289797.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289797

0 1
Br 2.997718 -2.989737 -1.384850
F -5.393120 -1.958257 -0.274937
F -5.669586 -0.046170 0.580454
F -5.388338 -0.244500 -1.509833
O 0.211310 0.221918 2.633735
O -1.827939 3.210594 -0.270846
O 0.200661 2.499334 -0.066100
O 2.305235 0.801873 2.112051
N -1.003391 2.323331 -0.131799
C -0.674315 -0.166126 0.190858
C -1.519298 0.936448 -0.048847
C 0.790787 -0.029428 0.374987
C -3.447364 -0.532211 -0.149184
C -1.240255 -1.451064 0.248402
C -2.904050 0.753408 -0.212213
C -2.611341 -1.637653 0.084559
C 1.631620 -0.295102 -0.641498
C 3.099295 -0.222718 -0.604378
C -4.930767 -0.699422 -0.331231
C 1.241437 0.382725 1.727297
C 3.872712 -1.342315 -0.952112
C 3.755848 0.971625 -0.265715
C 5.264693 -1.290252 -0.970950
C 5.152349 1.036129 -0.290127
C 5.904058 -0.088211 -0.641592
H -0.592091 -2.311332 0.440312
H -3.541322 1.634409 -0.388344
H -3.022723 -2.650522 0.142149
H 1.223875 -0.602958 -1.619199
H 3.167433 1.844887 0.034157
H 5.854585 -2.168997 -1.235905
H 5.653287 1.967672 -0.023448
H 6.993114 -0.035713 -0.655989
H 0.473582 0.498234 3.554934


%chk=000289797-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289797

0 1
Br 2.907425 -3.162157 -1.346244
F -5.160332 -2.262389 -0.683028
F -5.704418 -0.477998 0.610315
F -5.401148 -0.205632 -1.614798
O 0.038045 0.931659 2.616982
O -2.253547 3.290870 0.412519
O -0.049022 2.760663 0.249252
O 2.283399 1.250433 2.143251
N -1.298077 2.434540 0.289832
C -0.671170 -0.028166 0.215124
C -1.660799 0.996896 0.163860
C 0.787372 0.193490 0.481353
C -3.434953 -0.610961 -0.247671
C -1.128772 -1.357067 0.011141
C -3.023604 0.721810 -0.054299
C -2.484297 -1.655187 -0.223038
C 1.688181 -0.362099 -0.399561
C 3.159473 -0.345808 -0.460611
C -4.894530 -0.891880 -0.479654
C 1.158219 0.853635 1.767597
C 3.869464 -1.485177 -0.944836
C 3.934266 0.819039 -0.178998
C 5.264909 -1.493107 -1.119578
C 5.329369 0.834407 -0.366250
C 5.999434 -0.319894 -0.830884
H -0.400752 -2.171986 0.069370
H -3.732605 1.554036 -0.077674
H -2.803112 -2.690700 -0.370836
H 1.230145 -0.920319 -1.229358
H 3.419827 1.711827 0.179199
H 5.770970 -2.394668 -1.475134
H 5.892417 1.747002 -0.147221
H 7.085294 -0.316269 -0.972138
H 0.310627 1.371051 3.466816


