%chk=000206125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206125

0 1
Br -3.189964 -2.905913 -1.061963
O 2.059466 2.327867 0.285825
O 4.596514 -0.211537 0.075825
O 0.092258 3.178928 1.004117
O -5.123603 -0.680587 -0.058432
O 3.205818 -2.027513 -0.157015
N 0.212491 1.023301 0.001939
N 5.393748 -2.051041 -0.957194
C 2.570651 1.084976 -0.296710
C 1.325376 0.216823 -0.574511
C 3.536636 0.516247 0.749062
C 0.678995 2.265369 0.490010
C -1.139468 0.569046 0.013611
C -1.444369 -0.728466 -0.443498
C -2.164910 1.421377 0.481674
C -2.770886 -1.160447 -0.429266
C -3.480974 0.976990 0.493372
C -3.788213 -0.314985 0.033360
C 4.292606 -1.511346 -0.322602
C -5.611411 -1.438890 1.080587
H 3.106925 1.397125 -1.219249
H 1.169283 0.049710 -1.662049
H 1.395222 -0.790220 -0.091740
H 3.046086 -0.132330 1.496811
H 4.103366 1.326553 1.255665
H -0.664149 -1.399496 -0.804667
H -1.930770 2.432640 0.836272
H -4.288510 1.622878 0.841766
H -5.038399 -2.361793 1.205096
H -6.643771 -1.654421 0.779355
H -5.578716 -0.818630 1.979605
H 6.280803 -1.569846 -0.959080
H 5.397166 -3.035372 -1.186176


%chk=000206125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206125

0 1
Br -3.093513 -2.716335 -1.515804
O 2.100702 2.535764 0.152707
O 4.473706 -0.327964 -0.002445
O 0.082297 3.313603 1.028924
O -5.081814 -0.762918 0.038973
O 2.944361 -2.112899 0.265447
N 0.259415 1.192020 -0.073935
N 5.116589 -2.432087 -0.566737
C 2.604459 1.258277 -0.428509
C 1.323791 0.458050 -0.794445
C 3.516461 0.608876 0.631227
C 0.709260 2.419279 0.432976
C -1.081990 0.711081 -0.020383
C -1.391498 -0.524470 -0.651423
C -2.115643 1.434704 0.637111
C -2.706695 -1.023672 -0.608964
C -3.420609 0.912293 0.663067
C -3.744680 -0.321383 0.048523
C 4.077067 -1.684438 -0.072695
C -5.430606 -1.708937 1.120940
H 3.206401 1.518447 -1.314445
H 1.128010 0.468466 -1.883328
H 1.406492 -0.585303 -0.446141
H 2.931415 0.084264 1.407331
H 4.147483 1.387890 1.085818
H -0.625676 -1.101927 -1.173154
H -1.891477 2.392611 1.109360
H -4.227905 1.467570 1.151804
H -4.822612 -2.630573 1.053392
H -6.493241 -1.949489 0.967927
H -5.287227 -1.236295 2.112145
H 6.009050 -1.995400 -0.785603
H 4.983522 -3.432110 -0.689860


