%chk=000237553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237553

0 1
Br -3.602960 2.373637 1.268333
Br 3.104352 2.318823 -1.368585
O -2.830582 -0.050933 -1.477980
O 2.968333 0.289415 1.568364
N -1.360042 1.026790 -0.088056
N 1.282649 -0.181466 0.122866
C -0.678574 0.919807 1.229910
C -0.384530 1.106945 -1.214607
C 0.319872 -0.259426 1.256947
C 0.611753 -0.071645 -1.196665
C -2.588341 0.384594 -0.367683
C 2.594051 0.226918 0.409056
C -3.618993 0.464833 0.754478
C 3.523944 0.480164 -0.774690
C -5.016376 0.037590 0.320438
C 4.994516 0.367812 -0.385922
C -5.088169 -1.479526 0.089805
C 5.387542 -1.095313 -0.132020
C -6.518125 -1.918943 -0.253094
C 6.883404 -1.215958 0.190659
C -6.599139 -3.424787 -0.491678
C 7.286154 -2.666211 0.446239
H -0.143562 1.884126 1.408627
H -1.400959 0.810667 2.064262
H -0.936828 1.121243 -2.184330
H 0.146798 2.081757 -1.126205
H -0.212109 -1.233412 1.191089
H 0.882652 -0.258026 2.223677
H 1.346148 0.031540 -2.021689
H 0.067320 -1.029376 -1.382389
H -3.293108 -0.109693 1.650805
H 3.295717 -0.184042 -1.640171
H -5.760015 0.341519 1.085469
H -5.303634 0.568673 -0.613615
H 5.188964 0.970075 0.530540
H 5.635387 0.801274 -1.180155
H -4.732006 -2.026087 0.982292
H -4.402862 -1.756603 -0.740470
H 5.141933 -1.721464 -1.009995
H 4.791294 -1.498041 0.713344
H -7.210494 -1.631443 0.562143
H -6.869974 -1.379526 -1.155362
H 7.486406 -0.800969 -0.640523
H 7.125987 -0.599489 1.079593
H -7.620947 -3.730379 -0.744245
H -6.296261 -3.993604 0.394386
H -5.951358 -3.736899 -1.319588
H 8.353790 -2.743924 0.681874
H 7.096092 -3.300820 -0.426507
H 6.733988 -3.095298 1.290828


%chk=000237553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237553

0 1
Br -3.898770 2.423187 1.703529
Br 3.293066 2.355839 -1.638146
O -3.252257 0.656429 -1.537731
O 3.125580 0.415832 1.544326
N -1.420024 0.786099 -0.112745
N 1.333008 0.022476 0.115215
C -0.743184 0.869910 1.198812
C -0.505346 0.976390 -1.260412
C 0.416781 -0.151148 1.264357
C 0.658801 -0.039324 -1.200781
C -2.785177 0.673696 -0.354928
C 2.671446 0.312924 0.361089
C -3.733416 0.543357 0.851804
C 3.613945 0.467187 -0.847011
C -5.125616 0.037997 0.470838
C 5.090410 0.318109 -0.477920
C -5.109445 -1.461941 0.074537
C 5.445126 -1.145942 -0.104994
C -6.528233 -1.975933 -0.265291
C 6.950576 -1.306379 0.212741
C -6.541478 -3.469496 -0.654699
C 7.322975 -2.753423 0.600136
H -0.341422 1.893609 1.335847
H -1.449049 0.682378 2.020463
H -1.090666 0.846629 -2.184707
H -0.094534 2.005279 -1.236722
H 0.006141 -1.180578 1.246493
H 1.004816 -0.012144 2.185742
H 1.363990 0.191841 -2.011718
H 0.260930 -1.062267 -1.356097
H -3.303648 -0.055942 1.671798
H 3.342589 -0.194931 -1.686182
H -5.805207 0.182640 1.331262
H -5.504942 0.637676 -0.374851
H 5.313790 0.979423 0.377276
H 5.707841 0.640484 -1.337034
H -4.692627 -2.070045 0.905505
H -4.450072 -1.603324 -0.802443
H 5.176404 -1.827678 -0.939720
H 4.852024 -1.453596 0.776827
H -7.196629 -1.811332 0.604326
H -6.940187 -1.370477 -1.097062
H 7.548008 -0.990119 -0.666451
H 7.219416 -0.619006 1.039430
H -7.563442 -3.812700 -0.898863
H -6.161961 -4.099973 0.171722
H -5.902833 -3.653500 -1.538933
H 8.401292 -2.844751 0.825335
H 7.088390 -3.458448 -0.219833
H 6.761919 -3.080095 1.495664


