%chk=000290931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290931

0 1
Br -5.433340 -0.153186 -3.291734
Br 5.432884 0.153509 -3.291618
N -0.674157 0.081155 -0.293095
N 0.673667 -0.081271 -0.293087
C -2.936120 -0.568978 0.027263
C 2.935619 0.568838 0.027406
C -1.481134 -0.764857 0.281579
C 1.480628 0.764656 0.281734
C -3.408593 -0.458971 -1.289992
C 3.408109 0.459006 -1.289859
C -3.831621 -0.500738 1.106256
C 3.831109 0.500475 1.106398
C -1.098373 -1.901215 1.178763
C 1.097837 1.900887 1.179065
C -4.778225 -0.293100 -1.500694
C 4.777744 0.293184 -1.500568
C -5.197510 -0.328508 0.869184
C 5.197005 0.328298 0.869318
C -5.683068 -0.226273 -0.439310
C 5.682578 0.226238 -0.439182
H -2.705396 -0.494743 -2.127040
H 2.704919 0.494873 -2.126910
H -3.462200 -0.576824 2.127978
H 3.461679 0.576425 2.128127
H -0.183246 -2.401523 0.818808
H -0.896289 -1.555880 2.201476
H -1.879335 -2.671752 1.235641
H 0.895664 1.555402 2.201710
H 1.878815 2.671394 1.236120
H 0.182749 2.401275 0.819117
H -5.891932 -0.272482 1.707303
H 5.891417 0.272179 1.707439
H -6.750478 -0.094871 -0.619908
H 6.749992 0.094877 -0.619789


%chk=000290931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290931

0 1
Br -5.397914 2.241150 -1.943846
Br 5.397442 -2.241010 -1.944063
N -0.682990 0.119650 -0.175649
N 0.682488 -0.119752 -0.175654
C -2.952795 -0.612015 0.059376
C 2.952290 0.611877 0.059515
C -1.493933 -0.845284 0.236211
C 1.493425 0.845124 0.236355
C -3.408961 0.500900 -0.707489
C 3.408469 -0.500931 -0.707498
C -3.913674 -1.482046 0.642859
C 3.913160 1.481824 0.643138
C -0.998149 -2.126139 0.878650
C 0.997631 2.125887 0.878967
C -4.785086 0.706782 -0.874446
C 4.784597 -0.706792 -0.874459
C -5.294449 -1.249850 0.463644
C 5.293938 1.249651 0.463916
C -5.749608 -0.151555 -0.299849
C 5.749109 0.151463 -0.299723
H -2.667100 1.169003 -1.152134
H 2.666615 -1.168970 -1.152252
H -3.588795 -2.336326 1.244440
H 3.588272 2.336020 1.244833
H 0.077902 -2.245860 0.670540
H -1.130776 -2.102230 1.977601
H -1.545751 -3.004385 0.495347
H 1.130235 2.101822 1.977918
H 1.545240 3.004188 0.495801
H -0.078417 2.245639 0.670854
H -6.027073 -1.924148 0.919599
H 6.026554 1.923884 0.919979
H -6.818349 0.030892 -0.442353
H 6.817853 -0.030965 -0.442232


