%chk=000184889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184889

0 1
Br -5.778861 0.939750 0.810650
S 4.153569 -0.462121 1.718557
O 2.489563 1.343365 0.705298
N 2.384078 1.192289 -0.719462
N -0.373065 -1.446023 -0.500305
N 2.277362 -2.595768 -1.044880
C 1.811464 -0.168137 -1.040887
C 0.370133 -0.263906 -0.644280
C 2.743914 -1.284213 -0.479218
C -0.452922 0.841803 -0.433694
C 0.044414 2.237885 -0.485579
C 1.450281 2.297323 -1.120667
C -1.767356 0.348343 -0.134538
C 2.721842 -1.352364 1.049498
C -1.690249 -1.091878 -0.181037
C 3.851203 1.253702 1.113155
C -2.998099 0.963166 0.165094
C -2.817997 -1.904334 0.065963
C -4.084367 0.143022 0.401183
C -4.012628 -1.273419 0.356592
H 1.857356 -0.224233 -2.170215
H 3.786629 -1.047515 -0.836966
H -0.653262 2.888397 -1.049276
H 0.083245 2.647794 0.548838
H 1.378278 2.266831 -2.230056
H 1.946076 3.255147 -0.848561
H 0.007231 -2.377721 -0.589554
H 1.783517 -0.920645 1.461152
H 2.782527 -2.386887 1.439352
H 2.781375 -3.368865 -0.615531
H 2.464098 -2.641945 -2.043965
H 4.571398 1.507238 0.319911
H 3.915296 1.950610 1.968601
H -3.067955 2.049112 0.205096
H -2.741978 -2.986773 0.027503
H -4.909110 -1.862834 0.554227


%chk=000184889-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184889

0 1
Br -5.831907 0.948563 0.866073
S 4.318216 -0.484147 1.679531
O 2.361746 1.354444 0.797416
N 2.417224 1.195411 -0.724860
N -0.338443 -1.410513 -0.487318
N 2.137470 -2.606301 -1.067823
C 1.839603 -0.160348 -1.065686
C 0.381279 -0.227542 -0.682121
C 2.729144 -1.328562 -0.547178
C -0.447048 0.878860 -0.497492
C 0.076234 2.289883 -0.593609
C 1.505624 2.290738 -1.214287
C -1.754591 0.360332 -0.157005
C 2.829953 -1.416079 0.995372
C -1.655207 -1.084102 -0.159741
C 3.689816 1.319224 1.340420
C -2.999895 0.971907 0.150812
C -2.763573 -1.907826 0.130823
C -4.085873 0.131337 0.436646
C -3.994018 -1.287874 0.432881
H 1.932265 -0.186750 -2.176143
H 3.753357 -1.150713 -0.941063
H -0.577573 2.929150 -1.219318
H 0.113866 2.753994 0.410508
H 1.451627 2.154279 -2.311467
H 2.015908 3.247442 -1.013477
H 0.145763 -2.317307 -0.569607
H 1.915815 -1.051869 1.488010
H 3.011748 -2.458150 1.314677
H 2.640585 -3.428879 -0.709817
H 2.112011 -2.633803 -2.097343
H 4.417991 1.788210 0.660193
H 3.628517 1.826200 2.315746
H -3.109980 2.059940 0.166415
H -2.685542 -3.000119 0.128076
H -4.875111 -1.892835 0.663757


