%chk=000215234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215234

0 1
Br -6.895209 1.377792 -3.169342
O 1.068301 -0.347162 -0.985675
O -2.852835 1.602157 0.314161
O -2.461865 -0.428826 1.249090
N 1.620701 2.524965 -0.929202
N 5.906813 -1.534025 0.263570
N -5.914657 -1.873082 -0.784014
C 1.562812 0.252760 0.233244
C 2.452066 1.461287 -0.265955
C 0.391590 0.751430 1.092089
C -0.411419 1.768950 0.271849
C 3.540003 0.957447 -1.261017
C 0.483294 2.978364 -0.058620
C 2.449499 -0.750742 0.967363
C 3.763687 -0.832898 0.475272
C 4.373877 -0.063824 -0.580284
C -1.694226 2.191496 0.992157
C 2.455828 3.716729 -1.278217
C 4.727841 -1.741893 0.995983
C 2.113221 -1.599219 2.006938
C 5.677166 -0.506751 -0.696298
C 4.371384 -2.603521 2.056639
C 3.074413 -2.508392 2.535986
C 0.316877 -1.567190 -0.833180
C -3.120862 0.271733 0.512971
C -4.306787 -0.132148 -0.278239
C -4.914206 0.729973 -1.202877
C -4.834666 -1.429517 -0.095905
C -6.026795 0.265293 -1.907782
C -6.504636 -1.038718 -1.678926
H 2.967638 1.861982 0.648366
H -0.264516 -0.098511 1.384478
H 0.761787 1.186505 2.036442
H -0.694052 1.278768 -0.705525
H 4.143309 1.797884 -1.649647
H 3.024495 0.502657 -2.141123
H -0.096718 3.725667 -0.644676
H 0.818845 3.480314 0.873343
H -1.933719 3.265468 0.888119
H -1.724402 1.894462 2.054062
H 1.830168 4.442115 -1.822530
H 3.256331 3.407573 -1.972505
H 2.920708 4.225695 -0.421525
H 1.114263 -1.593519 2.436158
H 6.456345 -0.194468 -1.365075
H 6.767195 -2.027742 0.379027
H 5.083438 -3.306143 2.473121
H 2.761099 -3.156342 3.355150
H -0.004807 -1.768576 -1.861415
H -0.544769 -1.419670 -0.172786
H 0.965236 -2.368455 -0.464959
H -4.514047 1.739726 -1.357799
H -4.377964 -2.130720 0.620972
H -7.377274 -1.439635 -2.215654


%chk=000215234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215234

0 1
Br -6.592572 4.145884 -2.311754
O 1.514591 -1.265286 -0.579819
O -3.015235 1.143596 0.516964
O -3.552854 -1.124543 0.325519
N 1.014793 1.557222 -1.140140
N 6.529580 -0.457434 0.376566
N -6.853555 -0.066004 -2.161739
C 1.824967 -0.233141 0.458231
C 2.196597 1.049803 -0.390554
C 0.581419 0.036474 1.335841
C -0.588664 0.548138 0.472548
C 3.395799 0.771198 -1.353242
C -0.143635 1.825306 -0.262489
C 3.038768 -0.673972 1.284712
C 4.292849 -0.453861 0.676582
C 4.554681 0.212489 -0.567308
C -1.822257 0.786885 1.350041
C 1.303210 2.718365 -2.006642
C 5.525663 -0.863607 1.265627
C 3.046313 -1.324270 2.535380
C 5.938093 0.201012 -0.729555
C 5.533188 -1.526800 2.514875
C 4.278718 -1.740275 3.131595
C 1.247759 -2.618320 -0.089060
C -3.783027 0.077748 0.050168
C -4.914933 0.551088 -0.804298
C -5.135128 1.925706 -1.075781
C -5.798134 -0.405215 -1.368586
C -6.226374 2.267333 -1.894515
C -7.065315 1.257563 -2.421794
H 2.535013 1.815744 0.362849
H 0.289809 -0.884726 1.875307
H 0.848119 0.791419 2.103408
H -0.818568 -0.222645 -0.286353
H 3.692892 1.699708 -1.870373
H 3.040105 0.051644 -2.114532
H -0.972399 2.204395 -0.888007
H 0.086486 2.618982 0.504059
H -1.699578 1.660844 2.012948
H -2.068695 -0.114398 1.939984
H 0.357885 3.064788 -2.460435
H 1.978856 2.438512 -2.830646
H 1.757632 3.582923 -1.456859
H 2.112775 -1.523424 3.073310
H 6.559147 0.602501 -1.528570
H 7.529149 -0.596876 0.503546
H 6.457326 -1.861375 2.998839
H 4.248382 -2.246873 4.103050
H 1.091609 -3.224012 -0.996249
H 0.330664 -2.668629 0.533931
H 2.101053 -3.026966 0.486737
H -4.468371 2.679751 -0.651867
H -5.646013 -1.471356 -1.174305
H -7.918783 1.504489 -3.061349


