%chk=000188755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188755

1 1
Br 5.351071 -3.680485 0.213629
O 2.896487 2.839890 -0.224494
N -0.641207 3.093470 0.005795
N 0.502923 -1.702987 -0.012672
N -4.512418 -1.823088 0.020005
C -1.027703 1.675655 -0.118947
C 0.655024 3.348231 -0.736506
C -0.037865 0.704183 -0.122120
C -2.492182 1.364449 -0.153580
C 1.362611 0.992930 -0.147395
C -0.441170 3.430314 1.475908
C -1.678531 4.043008 -0.564938
C 1.785560 2.374512 -0.321529
C -0.399425 -0.711073 -0.068061
C -2.817354 -0.102183 -0.072592
C -1.799575 -1.097737 -0.048808
C 2.316155 -0.052071 -0.056337
C 1.830558 -1.408735 0.005545
C -4.156187 -0.489909 -0.034758
C -2.201737 -2.451079 0.006070
C 3.737131 0.144233 -0.031117
C -3.543685 -2.801820 0.038584
C 2.758475 -2.513325 0.086316
C 4.599490 -0.913831 0.047479
C 4.097741 -2.256602 0.106230
C -5.946478 -2.186569 0.055267
H 1.006392 4.394698 -0.586304
H 0.506394 3.225191 -1.836674
H -2.932178 1.757596 -1.103535
H -3.012402 1.890569 0.681530
H 0.335386 2.776750 1.922446
H -0.122864 4.474856 1.623310
H -1.364389 3.257476 2.052442
H -1.310804 5.085926 -0.564697
H -1.925148 3.779761 -1.609953
H -2.612983 4.033934 0.020307
H -4.965065 0.255466 -0.049134
H -1.429124 -3.240638 0.023268
H 4.127881 1.171525 -0.072313
H -3.858649 -3.856449 0.079948
H 2.349711 -3.527269 0.129602
H 5.683105 -0.751897 0.067366
H -6.451075 -1.748043 0.940422
H -6.098712 -3.282831 0.107941
H -6.473890 -1.830797 -0.853544


%chk=000188755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188755

1 1
Br 5.368194 -3.756476 0.417762
O 2.935936 2.878976 -0.583944
N -0.651244 3.136005 -0.019195
N 0.492239 -1.697535 0.120329
N -4.527144 -1.852222 -0.093999
C -1.074211 1.679129 -0.100566
C 0.596107 3.323691 -0.891999
C -0.054512 0.726764 -0.098363
C -2.523124 1.380539 0.234587
C 1.376628 1.022114 -0.199014
C -0.312314 3.515265 1.435212
C -1.720830 4.089522 -0.538936
C 1.758894 2.390130 -0.504857
C -0.411234 -0.701323 0.030760
C -2.848237 -0.099840 0.056917
C -1.810168 -1.090492 0.029025
C 2.332820 -0.047421 -0.057872
C 1.836694 -1.408091 0.109913
C -4.178477 -0.514376 -0.023180
C -2.197938 -2.465044 -0.024484
C 3.754826 0.134373 -0.092241
C -3.538121 -2.822217 -0.081568
C 2.740723 -2.511771 0.250386
C 4.623150 -0.953368 0.046868
C 4.110601 -2.277882 0.222469
C -5.965176 -2.227184 -0.184046
H 0.932048 4.369833 -0.806540
H 0.283306 3.109612 -1.931594
H -3.222886 1.970020 -0.390025
H -2.761184 1.659722 1.291290
H 0.495174 2.856667 1.786166
H 0.017628 4.565918 1.473445
H -1.211739 3.374773 2.053300
H -1.300423 5.106977 -0.554912
H -2.003744 3.783047 -1.557119
H -2.597865 4.071015 0.123814
H -5.009588 0.195711 -0.022250
H -1.415480 -3.226527 -0.025918
H 4.154525 1.140972 -0.228113
H -3.870416 -3.860813 -0.127644
H 2.316173 -3.510921 0.373854
H 5.705216 -0.792780 0.021677
H -6.512103 -1.841817 0.692041
H -6.057032 -3.322528 -0.205522
H -6.406394 -1.814942 -1.106508


