%chk=000187221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187221

0 1
Br 6.927766 0.536513 -0.621245
O -0.764005 -1.802944 -1.223936
O 1.318924 -2.620839 1.402180
O -0.320520 -4.463209 0.893455
O -3.612192 -2.619102 -0.159368
O -2.259186 4.275695 0.421402
N -0.109782 0.156228 -0.120380
N 0.205330 2.427549 0.069532
N -2.630676 0.159395 0.085034
N -3.574149 2.404571 0.262109
N -4.991348 0.534925 -0.084889
C 0.202327 -1.262950 -0.293776
C 0.069766 -2.070148 1.035695
C -0.959536 -3.193877 0.735815
C -1.267882 -3.092367 -0.771342
C -2.745960 -3.138448 -1.177187
C -1.370816 0.755217 0.016668
C 0.838999 1.258716 -0.083108
C -1.160073 2.148920 0.135827
C 2.285896 1.062343 -0.197458
C -2.297085 3.082592 0.285411
C -3.723138 1.107769 0.105963
C 2.957192 0.106502 0.582426
C 3.006180 1.880317 -1.085685
C 4.339893 -0.049320 0.457845
C 4.389262 1.727850 -1.211552
C 5.038156 0.759630 -0.442092
H 1.210259 -1.374991 -0.771301
H -0.201436 -1.431761 1.907507
H -1.855837 -3.136780 1.384469
H -0.682569 -3.860373 -1.338342
H -3.058147 -4.163202 -1.447987
H -2.929349 -2.454337 -2.038468
H 1.561939 -3.379665 0.802964
H -0.077979 -4.606931 1.842614
H -2.757432 -0.813433 -0.222424
H -3.766578 -3.289914 0.540067
H 2.411357 -0.511998 1.300626
H 2.481793 2.644261 -1.667284
H 4.861519 -0.789824 1.066471
H 4.947646 2.364589 -1.900699
H -5.132297 -0.427089 0.195177
H -5.781233 1.146518 0.113469


%chk=000187221-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187221

0 1
Br 7.110354 1.046055 -0.650496
O -0.967949 -1.897793 -1.207290
O 1.436185 -3.092822 0.626084
O -0.811621 -4.306852 1.526511
O -3.716021 -2.486583 -0.341431
O -2.149167 4.242110 0.578951
N -0.099391 0.101386 -0.221059
N 0.248496 2.344554 0.099357
N -2.614297 0.163852 -0.123100
N -3.546152 2.378409 0.241491
N -4.939407 0.516287 -0.105603
C 0.172176 -1.319003 -0.457087
C 0.318082 -2.179702 0.837498
C -1.006656 -2.992742 0.902532
C -1.339956 -3.194245 -0.589662
C -2.797903 -3.479057 -0.949392
C -1.346808 0.709782 -0.071638
C 0.867788 1.166283 -0.109332
C -1.123296 2.083830 0.129952
C 2.330657 1.043641 -0.222700
C -2.258950 3.008781 0.341088
C -3.678504 1.080867 0.010941
C 3.087671 -0.131208 0.049196
C 3.034861 2.228260 -0.593200
C 4.494986 -0.131114 -0.077674
C 4.435876 2.238915 -0.716479
C 5.154963 1.049889 -0.465337
H 1.090679 -1.411179 -1.059126
H 0.486171 -1.549357 1.730902
H -1.794852 -2.404919 1.411605
H -0.700906 -4.005560 -0.995404
H -3.066022 -4.505851 -0.639686
H -2.928760 -3.380855 -2.038855
H 1.197097 -3.963430 1.050048
H -0.958941 -4.250885 2.503903
H -2.805249 -0.824939 -0.346427
H -4.098571 -2.837761 0.498871
H 2.626519 -1.059544 0.395892
H 2.454978 3.138478 -0.772001
H 5.060951 -1.042133 0.135838
H 4.957049 3.155709 -1.005800
H -5.067528 -0.424809 -0.474764
H -5.723632 1.161853 -0.052916


