%chk=000260041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260041

0 1
Br -8.762745 2.709390 -0.985482
O -3.300499 1.760947 -0.506928
N -3.064015 -0.451540 0.066979
N -4.975388 -1.888193 0.329414
N 9.043733 0.306463 0.255821
N 2.562926 0.148852 0.303800
C -5.311081 0.471646 -0.271583
C -1.613508 -0.313772 0.112724
C -3.665889 -1.708283 0.348195
C -3.860764 0.715861 -0.266080
C -5.825815 -0.812065 0.024238
C -0.986426 -0.045608 1.341499
C -0.872287 -0.442716 -1.070050
C -6.192971 1.532789 -0.575536
C -2.773290 -2.857881 0.672132
C -7.228942 -1.031247 0.014961
C 1.159068 -0.077706 0.208271
C 0.399327 0.071926 1.388543
C 0.517361 -0.330817 -1.019946
C -7.555625 1.291913 -0.577748
C -8.082748 0.013771 -0.283726
C 7.653872 0.117055 0.058583
C 4.872073 -0.389045 -0.093990
C 7.165381 -1.085129 -0.516361
C 6.717629 1.062270 0.546447
C 5.800125 -1.327914 -0.582785
C 5.354173 0.805747 0.473128
C 3.433936 -0.678936 -0.189620
C 9.970867 -0.460252 -0.619075
C 9.519077 1.695994 0.492578
H -1.580823 0.085499 2.245822
H -1.375733 -0.615254 -2.021389
H -5.775704 2.521046 -0.802034
H -2.183941 -2.673710 1.584672
H -2.062543 -3.067823 -0.142802
H -3.356920 -3.781159 0.843095
H -7.607044 -2.029049 0.246091
H 0.905769 0.295017 2.328905
H 1.100787 -0.411329 -1.935653
H -9.164478 -0.144348 -0.293406
H 7.857736 -1.832571 -0.896220
H 7.056439 1.993249 0.995279
H 5.447177 -2.261363 -1.023505
H 4.639678 1.541420 0.857244
H 3.185370 -1.632814 -0.689010
H 11.006006 -0.332347 -0.261062
H 9.927089 -0.157779 -1.677444
H 9.740926 -1.538785 -0.552053
H 8.974280 2.134827 1.348112
H 9.393700 2.358287 -0.378777
H 10.586175 1.679265 0.769537


%chk=000260041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260041

0 1
Br -8.780125 2.664532 -1.353551
O -3.293023 1.733398 -0.634825
N -3.101070 -0.490193 0.120541
N -5.019952 -1.920763 0.424916
N 9.077114 0.410054 -0.075717
N 2.555610 0.179112 0.500440
C -5.319872 0.417680 -0.356504
C -1.653000 -0.331630 0.200437
C -3.708969 -1.720355 0.464812
C -3.862386 0.651629 -0.320245
C -5.845475 -0.858104 0.019767
C -1.052793 0.032799 1.427364
C -0.861464 -0.509279 -0.954624
C -6.184050 1.466946 -0.764790
C -2.811867 -2.856717 0.891255
C -7.253627 -1.061520 -0.020216
C 1.163781 -0.025416 0.360712
C 0.342219 0.193416 1.503669
C 0.536616 -0.361294 -0.877921
C -7.563152 1.230622 -0.792038
C -8.112264 -0.026756 -0.422645
C 7.703619 0.175202 -0.091844
C 4.863672 -0.298253 -0.126169
C 7.145681 -0.925305 -0.823700
C 6.796008 1.030026 0.625096
C 5.761110 -1.146935 -0.833725
C 5.417837 0.794283 0.604089
C 3.426786 -0.551547 -0.163957
C 9.986590 -0.479179 -0.812281
C 9.625455 1.546893 0.678902
H -1.680973 0.208457 2.307389
H -1.344257 -0.741403 -1.910017
H -5.745133 2.428862 -1.045098
H -2.253744 -2.612137 1.812421
H -2.060715 -3.092553 0.116621
H -3.444451 -3.737075 1.072446
H -7.644303 -2.041135 0.269570
H 0.826063 0.490396 2.439003
H 1.144315 -0.462625 -1.784014
H -9.194250 -0.183769 -0.453005
H 7.795826 -1.603403 -1.382848
H 7.178741 1.879262 1.197877
H 5.360382 -1.996325 -1.402478
H 4.730248 1.447990 1.151050
H 3.107540 -1.424466 -0.775348
H 11.023106 -0.130847 -0.684411
H 9.761168 -0.487689 -1.897632
H 9.929219 -1.522575 -0.441988
H 9.398490 1.469597 1.761060
H 9.225081 2.513277 0.312710
H 10.720136 1.568614 0.563247


