%chk=000195438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195438

0 1
Br 5.728699 0.641049 1.811238
O -2.184337 -0.883200 -0.880385
O -5.849489 0.256254 1.228609
O 0.766756 1.274845 -1.622173
O 2.959607 1.666486 1.027329
O 1.718749 -2.220422 -1.678188
N -3.788413 0.514899 0.202996
N 0.019877 0.453836 0.376283
C -2.424953 -0.062979 0.268589
C -2.444976 -0.948282 1.548154
C -3.903516 -1.017896 2.015210
C -1.327008 1.026854 0.223358
C -4.679428 -0.040042 1.147661
C -4.224171 1.484099 -0.834301
C -4.220446 0.881072 -2.234785
C 0.971969 0.584711 -0.635618
C 2.228730 -0.168101 -0.368409
C 3.219927 0.441676 0.436965
C 2.500176 -1.447215 -0.879706
C 4.416629 -0.209078 0.743850
C 3.709775 -2.121515 -0.554145
C 4.650218 -1.506752 0.251022
C 3.136781 2.811502 0.144178
C 0.515243 -1.682699 -2.288508
H -2.033652 -1.948881 1.322230
H -1.801268 -0.524159 2.338229
H -4.331450 -2.033684 1.918348
H -4.016229 -0.750045 3.083494
H -1.383745 1.567175 -0.760703
H -1.517752 1.781075 1.021066
H -3.560180 2.376102 -0.791688
H -5.254102 1.826782 -0.562584
H -2.943672 -1.472207 -1.074415
H 0.217747 -0.069107 1.222323
H -3.224922 0.505132 -2.513856
H -4.926537 0.047222 -2.322283
H -4.508293 1.630243 -2.982507
H 3.872758 -3.119339 -0.961418
H 5.582487 -2.023065 0.498807
H 4.193455 2.895374 -0.127174
H 2.823248 3.640239 0.789698
H 2.492095 2.722076 -0.738624
H 0.737048 -0.760977 -2.840476
H 0.238234 -2.494534 -2.972137
H -0.261569 -1.528024 -1.526156


%chk=000195438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195438

0 1
Br 5.748985 0.895869 1.881875
O -2.325259 -0.984221 -0.973190
O -5.928738 0.279944 1.291446
O 0.857699 1.344528 -1.621144
O 2.889835 1.807421 0.864292
O 1.748078 -2.388192 -1.494298
N -3.819552 0.518955 0.254816
N -0.032151 0.262699 0.242770
C -2.500249 -0.131620 0.231192
C -2.505925 -0.984615 1.541985
C -3.997598 -1.200930 1.887053
C -1.348393 0.893395 0.146495
C -4.727620 -0.070521 1.148169
C -4.236490 1.608813 -0.652598
C -4.521622 1.144697 -2.097416
C 0.986159 0.535006 -0.652065
C 2.276155 -0.207736 -0.343797
C 3.236968 0.516535 0.421984
C 2.568057 -1.542618 -0.743282
C 4.451760 -0.093814 0.803448
C 3.792566 -2.141238 -0.341328
C 4.725229 -1.427721 0.429450
C 3.322486 2.911880 -0.032759
C 0.707375 -1.836007 -2.392254
H -1.943696 -1.919658 1.388217
H -2.017175 -0.415681 2.353873
H -4.391844 -2.171265 1.531949
H -4.215099 -1.141867 2.965332
H -1.368422 1.416338 -0.824823
H -1.489509 1.640828 0.952088
H -3.464401 2.399528 -0.646885
H -5.154564 2.030229 -0.205523
H -3.085398 -1.619569 -1.025403
H 0.182938 -0.339277 1.039866
H -3.621321 0.715549 -2.567937
H -5.324814 0.386709 -2.109239
H -4.857909 2.005736 -2.703260
H 3.990466 -3.169240 -0.656561
H 5.664915 -1.899471 0.730558
H 4.421776 2.905180 -0.149116
H 3.003744 3.833913 0.475649
H 2.820325 2.815694 -1.012165
H 1.100464 -0.980989 -2.969583
H 0.465056 -2.670446 -3.068246
H -0.193187 -1.536249 -1.830235


