%chk=000180014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180014

0 1
Br -1.975517 -3.360999 0.233290
Br -5.802986 0.418087 -1.680690
Br 3.319736 0.916401 2.284358
Br 1.833586 -0.180001 -3.129061
O -2.250680 1.239329 1.574024
O -0.393306 -0.686743 -0.809871
O -4.622790 -2.270384 -0.944022
O 0.112105 4.954224 1.066980
O 2.462682 1.472002 -0.659046
N -1.447832 2.259083 1.992955
N 1.649062 3.230034 1.244433
N 1.631188 -6.082605 1.046288
C -1.981545 0.924250 0.122464
C -0.898468 1.946564 -0.276686
C -1.445929 -0.541294 0.142161
C -3.307619 1.136968 -0.546142
C -0.682366 2.687516 1.030445
C -2.505209 -1.576723 -0.108980
C -4.119122 0.116543 -0.855950
C -3.731317 -1.279256 -0.586590
C 0.360925 3.767479 1.109307
C 2.812577 4.040615 0.805386
C 3.189176 3.725470 -0.653989
C 3.669365 2.294163 -0.866940
C -5.561883 -2.639660 0.106410
C 2.685544 0.131528 -0.406415
C 2.862750 -2.621587 0.105949
C 2.925110 -4.094770 0.384473
C 3.043882 -0.328259 0.872482
C 2.405023 -0.798595 -1.421724
C 3.135843 -1.696279 1.126822
C 2.494068 -2.166242 -1.171733
C 1.511226 -4.650475 0.650114
H -1.210787 2.626616 -1.089119
H 0.041002 1.452674 -0.632303
H -0.921489 -0.710917 1.122915
H -3.582021 2.183620 -0.715021
H -0.743475 -0.793346 -1.725224
H 1.744779 2.220224 1.043624
H 2.573537 5.125801 0.915100
H 3.661179 3.824862 1.491631
H 2.313732 3.920698 -1.311492
H 3.978128 4.427184 -0.993438
H 3.987671 2.104601 -1.907367
H 4.457507 1.988456 -0.161386
H -6.170584 -3.396543 -0.404197
H -6.164991 -1.775596 0.398964
H -5.017634 -3.068170 0.953191
H 3.399849 -4.636058 -0.458977
H 3.572770 -4.316786 1.261301
H 3.404668 -2.053596 2.124795
H 2.264564 -2.887119 -1.959769
H 1.042156 -4.089718 1.490989
H 0.865939 -4.484462 -0.240342
H 0.742313 -6.433795 1.388395
H 1.896610 -6.657515 0.253028


%chk=000180014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180014

0 1
Br -2.853569 -2.549825 2.364130
Br -5.535442 -0.639114 -2.427729
Br 2.069837 0.416237 2.424462
Br 3.995497 0.050999 -3.060692
O -3.040405 1.868011 1.031151
O -0.758647 -0.983471 0.009155
O -5.106714 -2.296541 0.193177
O -0.149104 5.073836 1.331711
O 2.859862 1.388003 -0.463162
N -2.140912 2.932677 1.411633
N 1.231291 3.497700 0.304170
N 2.150381 -6.468877 0.009333
C -2.334020 0.982950 -0.054917
C -1.117744 1.840629 -0.459032
C -1.889578 -0.315234 0.700231
C -3.352390 0.739876 -1.130094
C -1.079726 2.913936 0.627910
C -3.033712 -1.276489 0.906543
C -4.195503 -0.327088 -1.035761
C -4.125028 -1.313254 0.074242
C 0.018331 3.934930 0.799587
C 2.459875 4.295969 0.435630
C 3.572242 3.732315 -0.473503
C 4.012810 2.301364 -0.141620
C -6.367990 -1.854417 0.842564
C 3.084097 0.013237 -0.285824
C 3.355631 -2.827696 0.002321
C 3.425155 -4.337968 0.141414
C 2.753797 -0.642150 0.928570
C 3.554504 -0.796068 -1.350885
C 2.882298 -2.033799 1.077590
C 3.692433 -2.190811 -1.218914
C 2.065128 -5.015757 -0.196614
H -1.240877 2.315010 -1.450491
H -0.211512 1.212206 -0.498711
H -1.457458 -0.004873 1.665694
H -3.429120 1.459991 -1.949196
H -1.118871 -1.523533 -0.742274
H 1.371494 2.523692 0.009217
H 2.230028 5.343604 0.170780
H 2.797340 4.306065 1.493892
H 3.250841 3.768144 -1.531316
H 4.463210 4.382638 -0.378932
H 4.875775 1.995034 -0.761638
H 4.262367 2.182457 0.931029
H -7.022084 -2.737780 0.825016
H -6.832925 -1.025917 0.278112
H -6.164401 -1.545311 1.883693
H 4.203711 -4.749174 -0.530299
H 3.693449 -4.632793 1.171549
H 2.606892 -2.506508 2.025413
H 4.059241 -2.783394 -2.062755
H 1.291162 -4.614780 0.484419
H 1.768161 -4.713365 -1.230422
H 1.256495 -6.943116 0.155348
H 2.757098 -6.964909 -0.649107


