%chk=000218847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218847

0 1
Br 7.299006 -0.601886 0.152284
S -6.155328 -0.675784 -1.448278
O 1.526527 0.869325 -0.303450
N -4.449679 -0.245328 0.580412
N 3.158104 -0.690861 0.364647
C -3.310435 0.567762 0.040861
C -5.664346 0.582059 0.861415
C -1.996452 -0.175714 0.337415
C -4.847928 -1.344391 -0.313406
C -6.514074 0.772783 -0.400766
C -0.790708 0.654238 -0.111486
C 0.508877 -0.084299 0.188034
C 2.828889 0.513929 -0.189797
C 3.775186 1.453981 -0.672126
C 5.117442 1.118707 -0.569393
C 4.480700 -0.995007 0.453593
C 5.474397 -0.117069 -0.001268
H -3.404224 0.777195 -1.046977
H -3.300799 1.555206 0.551814
H -5.373699 1.554859 1.307881
H -6.246958 0.041579 1.643878
H -1.993079 -1.162138 -0.166267
H -1.935739 -0.396470 1.423288
H -4.014518 -1.753306 -0.913121
H -5.289298 -2.166426 0.287798
H -7.593505 0.810386 -0.177476
H -6.254937 1.693371 -0.950392
H -0.782225 1.642230 0.393239
H -0.850050 0.881411 -1.195911
H 0.687878 -0.253303 1.262936
H 0.624425 -1.027986 -0.370385
H 3.437987 2.393676 -1.101631
H 5.887543 1.807456 -0.926076
H 4.721422 -1.968687 0.902712


%chk=000218847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218847

0 1
Br 7.380244 -0.744044 0.198098
S -6.085917 -0.669278 -1.615466
O 1.560092 0.969415 -0.374676
N -4.508118 -0.285156 0.636955
N 3.163987 -0.627325 0.328520
C -3.365772 0.534580 0.138152
C -5.750553 0.484421 0.889311
C -2.007029 -0.154881 0.374274
C -4.872313 -1.396859 -0.206993
C -6.447237 0.806706 -0.478456
C -0.830255 0.721325 -0.114128
C 0.514678 0.036347 0.130132
C 2.879050 0.571145 -0.242881
C 3.873938 1.465533 -0.725211
C 5.220452 1.084602 -0.600015
C 4.474334 -0.992066 0.447790
C 5.520191 -0.164884 -0.002703
H -3.485376 0.771335 -0.945269
H -3.380405 1.492403 0.691108
H -5.521014 1.403099 1.455638
H -6.428630 -0.140512 1.498997
H -1.983055 -1.130730 -0.150886
H -1.906502 -0.373530 1.454896
H -4.013215 -1.859959 -0.710209
H -5.472013 -2.141905 0.335329
H -7.537241 0.912138 -0.360806
H -6.032786 1.716072 -0.943691
H -0.838494 1.696083 0.411038
H -0.936851 0.935894 -1.195039
H 0.697863 -0.159137 1.203001
H 0.601733 -0.923928 -0.411652
H 3.582196 2.416576 -1.176830
H 6.019455 1.740456 -0.956874
H 4.674967 -1.962440 0.912546


