%chk=000270852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270852

0 1
Br -1.192762 -2.977364 -1.861231
S -4.269457 -1.458427 -0.678836
O 2.174946 0.881535 1.018617
O 3.150707 2.669220 -1.374183
O 3.610111 -0.778922 -1.579614
O 4.241985 -2.128085 0.709392
N 0.409048 0.527685 -0.510690
N -1.404304 1.933109 0.427351
N -3.607161 0.908653 0.303933
C 1.561420 1.386989 -0.175456
C 2.634326 1.342337 -1.298845
C 3.734369 0.385858 -0.764741
C 3.387645 0.139500 0.726668
C 3.114723 -1.327013 1.092426
C -0.923348 0.790246 -0.160761
C 0.452966 -0.764897 -1.096783
C -1.737700 -0.343793 -0.557947
C -0.824646 -1.291060 -1.138689
C -3.115740 -0.206812 -0.282531
C -2.741245 1.930798 0.633615
C -5.861358 -0.811076 -0.137960
H 1.214968 2.419517 0.099697
H 2.246680 1.008549 -2.285922
H 4.752873 0.808287 -0.893124
H 4.141190 0.600165 1.402916
H 2.277956 -1.758063 0.504848
H 2.894333 -1.443829 2.167078
H 1.388697 -1.191714 -1.449010
H 3.442671 2.871395 -2.290347
H 4.132806 -1.537262 -1.189115
H 4.982067 -2.012812 1.339975
H -3.189109 2.819874 1.106379
H -5.872197 -0.600437 0.940535
H -6.623592 -1.566808 -0.363907
H -6.118765 0.124858 -0.652936


%chk=000270852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270852

0 1
Br -1.454498 -3.069169 -1.983534
S -4.476072 -1.456253 -0.826595
O 2.124271 0.683977 1.073573
O 3.035867 2.700213 -1.136881
O 3.405019 -0.947512 -1.518010
O 4.751632 -1.948755 0.625705
N 0.307964 0.380330 -0.510854
N -1.427774 1.843260 0.412943
N -3.690010 0.941713 0.247063
C 1.453379 1.212388 -0.132904
C 2.546232 1.320460 -1.223674
C 3.648165 0.310792 -0.809432
C 3.484693 0.192970 0.736018
C 3.593316 -1.259260 1.246827
C -1.013879 0.696868 -0.188990
C 0.325156 -0.889131 -1.123551
C -1.862201 -0.388655 -0.615853
C -0.978776 -1.368333 -1.199600
C -3.253050 -0.196153 -0.358318
C -2.772261 1.898485 0.599821
C -6.053664 -0.620866 -0.228810
H 1.047885 2.205054 0.121400
H 2.162324 1.078536 -2.232205
H 4.651297 0.703478 -1.069080
H 4.208875 0.859632 1.243983
H 2.709169 -1.827175 0.921371
H 3.655034 -1.292503 2.349027
H 1.265267 -1.326923 -1.459994
H 3.650886 2.879257 -1.891806
H 4.042425 -1.617202 -1.134345
H 5.590632 -1.707889 1.088622
H -3.169202 2.796121 1.081274
H -5.992471 -0.443824 0.853429
H -6.861486 -1.328458 -0.472761
H -6.189040 0.334727 -0.753058


