%chk=000241246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241246

0 1
Br -5.557507 -0.723780 -2.641869
O -0.050501 2.293976 0.972360
N -1.244457 0.249343 1.618095
C 0.003194 -0.567446 1.455394
C 1.078435 0.157150 0.688503
C 2.208501 -0.536609 0.144312
C 0.986472 1.524300 0.492482
C -0.926611 1.640839 1.955379
C 3.178341 0.193590 -0.596927
C -2.213829 0.052228 0.554274
C 1.946412 2.270083 -0.259150
C 3.017223 1.605627 -0.790612
C 2.400890 -1.944427 0.320387
C 4.307509 -0.491115 -1.143693
C -2.996472 -1.116419 0.627251
C -2.423450 0.981485 -0.479088
C 3.496262 -2.575819 -0.215833
C 4.464370 -1.842516 -0.958461
C -3.989437 -1.346707 -0.325496
C -3.421749 0.752170 -1.428231
C -4.193279 -0.408627 -1.341389
H -0.252668 -1.531094 0.958625
H 0.367845 -0.817197 2.480470
H -1.813868 2.305268 1.945209
H -0.392989 1.680699 2.927556
H 1.794150 3.340688 -0.381746
H 3.770425 2.141298 -1.370048
H 1.665879 -2.512515 0.887107
H 5.041168 0.081716 -1.710328
H -2.835542 -1.830880 1.434555
H -1.799205 1.876122 -0.551726
H 3.641583 -3.647388 -0.081541
H 5.321568 -2.369895 -1.372047
H -4.599264 -2.249995 -0.269253
H -3.585602 1.474447 -2.230020


%chk=000241246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241246

0 1
Br -6.324436 -0.689053 -2.146092
O 0.032930 2.370979 0.670547
N -1.197558 0.335383 1.230865
C -0.016391 -0.560884 1.139991
C 1.180491 0.178723 0.532091
C 2.369423 -0.544369 0.153778
C 1.123170 1.562951 0.281551
C -0.839009 1.654585 1.666832
C 3.457922 0.154349 -0.501709
C -2.347888 0.113262 0.421731
C 2.186764 2.253039 -0.381465
C 3.327370 1.559624 -0.766633
C 2.520144 -1.951824 0.399636
C 4.635053 -0.568088 -0.879045
C -2.872745 -1.202227 0.280302
C -3.023683 1.185212 -0.227278
C 3.682569 -2.630685 0.021396
C 4.752123 -1.936928 -0.624171
C -4.034092 -1.443143 -0.481512
C -4.198637 0.952410 -0.973026
C -4.694571 -0.360272 -1.097292
H -0.278568 -1.417270 0.495276
H 0.236795 -0.971487 2.140234
H -1.713509 2.303459 1.803604
H -0.250582 1.585910 2.601926
H 2.071561 3.326576 -0.558227
H 4.146916 2.084139 -1.271110
H 1.718036 -2.508231 0.896630
H 5.448342 -0.025143 -1.375629
H -2.395562 -2.042559 0.795466
H -2.614040 2.199128 -0.192886
H 3.777524 -3.703935 0.220913
H 5.656628 -2.480843 -0.916534
H -4.426499 -2.459976 -0.573987
H -4.702193 1.785789 -1.471671


