%chk=000207272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207272

0 1
Br 3.279940 0.813662 -0.485097
Br 0.877358 -0.345208 -2.110806
S 0.398247 0.915888 0.755942
O 0.604317 2.300055 0.421474
O 0.725719 0.429379 2.076129
O 0.901005 -2.298244 0.303634
N 2.980098 -1.654160 0.959274
C -1.162446 0.412793 0.261950
C 1.571131 -0.078081 -0.324634
C -1.649409 -0.856191 0.596691
C -1.963699 1.300474 -0.472382
C 1.762267 -1.434876 0.339661
C -2.935428 -1.236730 0.199036
C -3.245916 0.920039 -0.868454
C -3.731308 -0.350766 -0.532053
H -1.024854 -1.565529 1.158088
H -1.582500 2.295303 -0.734762
H -3.309504 -2.227588 0.456260
H -3.868013 1.608684 -1.438558
H -4.733860 -0.648698 -0.843713
H 3.090611 -2.528295 1.464774
H 3.614544 -0.924813 1.251847


%chk=000207272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207272

0 1
Br 3.436006 1.046441 -0.475472
Br 1.062678 -0.372168 -2.238836
S 0.412023 0.885130 0.805365
O 0.581498 2.472401 0.477476
O 0.683626 0.304679 2.306649
O 1.068823 -2.364062 0.210432
N 3.136512 -1.690919 1.040157
C -1.312727 0.364917 0.226382
C 1.856136 -0.167940 -0.448168
C -1.804545 -0.886648 0.632099
C -2.037255 1.297233 -0.534703
C 2.008652 -1.519826 0.285346
C -3.121232 -1.218660 0.238424
C -3.352127 0.941557 -0.913815
C -3.888055 -0.310720 -0.530242
H -1.189100 -1.572967 1.219370
H -1.594505 2.262667 -0.799400
H -3.541140 -2.186415 0.530616
H -3.951975 1.642438 -1.503377
H -4.907308 -0.578542 -0.828930
H 3.193185 -2.526443 1.622757
H 3.859129 -0.975055 1.112171


