%chk=000240379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240379

0 1
Br 7.000061 -0.529987 -0.227289
Cl -5.581749 3.131190 -0.388094
Cl -4.485839 -3.860218 0.222128
N -3.146401 -0.060859 0.014643
C 0.494548 -0.643065 -0.205013
C 1.635489 -1.587564 -0.513686
C 1.004318 0.630995 0.192802
C 2.857944 -0.737934 -0.256091
C 2.466457 0.576461 0.162552
C -1.759652 0.159921 0.068610
C -0.861186 -0.892498 -0.270511
C 0.124476 1.653351 0.523525
C -1.252707 1.422294 0.461246
C -4.117994 1.000606 0.355766
C -3.713907 -1.360571 -0.404415
C 4.192584 -1.079261 -0.375769
C 3.424674 1.534966 0.456744
C 5.142823 -0.087782 -0.071083
C 4.785216 1.193184 0.336674
C -4.405797 1.874450 -0.871632
C -3.819523 -2.304896 0.799815
H 1.613751 -2.485973 0.132983
H 1.598617 -1.951024 -1.558845
H -1.225322 -1.867295 -0.578823
H 0.498570 2.630179 0.829147
H -1.927918 2.231447 0.727156
H -5.061177 0.544579 0.736438
H -3.725980 1.628786 1.193047
H -4.717297 -1.208027 -0.865329
H -3.081797 -1.821326 -1.202428
H 4.499583 -2.074409 -0.692787
H 3.140163 2.534981 0.775137
H 5.546511 1.939846 0.565716
H -3.494194 2.379082 -1.247081
H -4.843096 1.297296 -1.706745
H -2.833343 -2.501312 1.263709
H -4.491906 -1.912715 1.584683


%chk=000240379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240379

0 1
Br 7.114993 -0.532487 -0.225801
Cl -5.622327 3.284527 -0.314683
Cl -4.516943 -3.999591 0.140473
N -3.193417 -0.066535 0.013135
C 0.505272 -0.654569 -0.175010
C 1.655852 -1.617932 -0.454314
C 1.020950 0.627242 0.180510
C 2.888169 -0.747802 -0.225241
C 2.490803 0.573401 0.149287
C -1.795825 0.153254 0.068695
C -0.872603 -0.900715 -0.228324
C 0.120074 1.670568 0.481953
C -1.267608 1.437303 0.422747
C -4.153205 0.991870 0.369477
C -3.750319 -1.357681 -0.422877
C 4.245553 -1.091758 -0.339537
C 3.467856 1.559131 0.412954
C 5.203685 -0.086846 -0.071645
C 4.838144 1.225598 0.301077
C -4.413683 1.924460 -0.829813
C -3.831617 -2.347460 0.755862
H 1.638059 -2.493122 0.224319
H 1.620008 -2.016839 -1.486883
H -1.227114 -1.901402 -0.493636
H 0.482738 2.667349 0.756889
H -1.940601 2.268732 0.650393
H -5.106857 0.528819 0.678926
H -3.793765 1.577777 1.233474
H -4.764621 -1.198233 -0.829961
H -3.148372 -1.792529 -1.240181
H 4.559299 -2.100066 -0.625896
H 3.183909 2.576912 0.701396
H 5.609894 1.974417 0.500141
H -3.503595 2.440669 -1.166857
H -4.892449 1.399002 -1.669463
H -2.845535 -2.571426 1.186832
H -4.525800 -2.007141 1.538481


