%chk=000180803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180803

0 1
Br 0.916852 -3.176356 -0.464501
S 5.493506 -0.290949 0.904891
F 5.558589 1.526731 -0.972746
F 5.653991 -0.442382 -1.702130
F -5.395057 -1.699340 1.619455
F -4.969489 1.858965 -1.403860
F 8.043729 0.821433 0.557811
F 8.171063 1.227852 -1.508847
O -1.089367 1.439173 1.151540
O -3.875584 1.326998 1.807589
N -0.429333 -0.667686 0.399669
N -2.710835 -0.021645 0.319889
C 0.972781 -0.506288 0.524965
C 3.758393 -0.359990 0.697159
C 1.784531 -1.607145 0.156307
C 1.589568 0.675255 0.980981
C 3.171959 -1.543285 0.237370
C 2.978407 0.744731 1.062168
C 6.100315 0.330367 -0.692280
C -5.117497 0.109981 0.152846
C -1.375836 0.364797 0.685955
C -3.890680 0.576520 0.872208
C -5.859304 -0.997924 0.590574
C -5.640851 0.808762 -0.945896
C 7.646228 0.332465 -0.640164
C -7.050183 -1.404648 -0.015008
C -6.828012 0.441230 -1.585153
C -7.529509 -0.669260 -1.104881
H 0.980338 1.541127 1.274936
H 3.786701 -2.401128 -0.053699
H 3.452218 1.667357 1.413995
H -0.783031 -1.598448 0.137817
H -2.834741 -0.738781 -0.402001
H 8.109836 -0.669892 -0.811393
H -7.600959 -2.269994 0.356528
H -7.205141 1.011948 -2.435343
H -8.464097 -0.967451 -1.587449


%chk=000180803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180803

0 1
Br 0.983732 -2.950813 -1.155440
S 5.654617 -0.404275 0.915899
F 5.527237 1.850200 -0.646683
F 5.489223 -0.102960 -1.809989
F -6.436472 -0.465474 2.231255
F -3.965491 0.210878 -1.898209
F 8.248476 1.050028 0.274016
F 7.894473 1.468286 -1.956784
O -1.153081 1.097649 1.848337
O -4.020912 0.897857 2.157545
N -0.418695 -0.650035 0.438328
N -2.686629 -0.136685 0.514975
C 0.981602 -0.551376 0.569839
C 3.818794 -0.441810 0.743172
C 1.808671 -1.509632 -0.089386
C 1.626176 0.465594 1.330836
C 3.209008 -1.470511 -0.009736
C 3.030004 0.519772 1.409872
C 6.066703 0.537634 -0.660117
C -5.128614 -0.059852 0.224277
C -1.389577 0.189557 1.020978
C -3.914984 0.296261 1.065989
C -6.373885 -0.357976 0.842396
C -5.170857 -0.038085 -1.191950
C 7.595460 0.572629 -0.899160
C -7.560911 -0.586221 0.126172
C -6.322954 -0.249414 -1.960891
C -7.531843 -0.521565 -1.283312
H 1.006750 1.195866 1.854047
H 3.815717 -2.217730 -0.525640
H 3.509540 1.312041 1.991360
H -0.741025 -1.452613 -0.113543
H -2.735069 -0.600058 -0.396930
H 7.997436 -0.423857 -1.150977
H -8.478828 -0.812038 0.674656
H -6.265259 -0.198855 -3.050949
H -8.449036 -0.689319 -1.854950


