%chk=000195778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195778

0 1
Br -5.554539 1.419629 0.046360
S -0.686968 -0.044651 -1.070321
O -2.724156 1.781065 1.607789
O 1.994815 -1.561524 -1.644780
O 1.164928 -2.083983 0.374630
O 3.694177 1.523079 1.507060
N 3.160989 0.645497 -0.524617
C -1.550229 -0.029333 0.544175
C -2.750481 0.941273 0.447395
C 0.724608 1.062357 -0.817375
C 1.808357 0.258844 -0.093209
C -1.866100 -1.466436 0.784171
C -4.082956 0.247064 0.334931
C -3.117363 -1.950211 0.727982
C -4.257419 -1.076784 0.454426
C 1.583262 -1.236592 -0.374981
C 4.048160 1.274284 0.370276
C 5.396578 1.590014 -0.202980
H -0.868291 0.352229 1.349989
H -2.611181 1.688212 -0.378955
H 0.456766 1.980824 -0.261586
H 1.050998 1.397848 -1.824835
H 1.728122 0.411113 1.029636
H -1.000096 -2.107338 1.000837
H -3.335338 -3.005911 0.890369
H -5.236461 -1.552959 0.362317
H 3.417815 0.410116 -1.480655
H -3.139959 1.342924 2.380561
H 6.022432 2.081778 0.562319
H 5.937493 0.689687 -0.525855
H 5.341659 2.276060 -1.058976
H 1.837876 -2.520176 -1.863997


%chk=000195778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195778

0 1
Br -5.618860 1.441464 -0.068969
S -0.969075 0.044414 -1.397641
O -2.692917 1.886508 1.880873
O 2.372813 -1.661187 -2.248266
O 1.356535 -2.590519 -0.371239
O 2.893111 1.484917 1.527320
N 3.123895 0.418410 -0.522967
C -1.505489 0.225567 0.467031
C -2.743954 1.160229 0.587091
C 0.781881 0.742760 -1.296757
C 1.763378 -0.141589 -0.481625
C -1.693374 -1.157521 1.022029
C -4.045121 0.398259 0.452773
C -2.948961 -1.689799 1.152139
C -4.147260 -0.927217 0.771178
C 1.778898 -1.588313 -0.976050
C 3.604243 1.215160 0.513105
C 5.027614 1.730441 0.339898
H -0.663007 0.760421 0.941015
H -2.662507 1.964455 -0.160142
H 0.747826 1.750124 -0.850271
H 1.108471 0.817273 -2.348033
H 1.456676 -0.153772 0.577915
H -0.798535 -1.749011 1.243182
H -3.084907 -2.716626 1.507908
H -5.114179 -1.439530 0.744214
H 3.693327 0.229685 -1.350454
H -2.961502 1.264252 2.606525
H 5.019357 2.833386 0.374309
H 5.639997 1.382686 1.189478
H 5.503294 1.404454 -0.600866
H 2.365832 -2.601781 -2.572601


