%chk=000189966.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189966

0 1
Br -0.652270 -3.582151 -0.563793
N -1.323197 1.854515 -0.253505
C 0.370826 0.092060 0.064444
C -0.643692 -0.839224 0.317957
C 1.815025 -0.171529 -0.001344
C -0.044479 1.473507 -0.112994
C -2.017118 -0.451027 0.181008
C 2.726577 0.909159 0.132994
C -2.311701 0.903045 -0.163236
C 0.939045 2.554525 -0.058257
C 2.244886 2.282885 0.127334
C -0.370251 -2.215290 0.828231
C 2.360705 -1.450166 -0.253751
C -3.129271 -1.341996 0.363370
C 4.117709 0.670172 0.184839
C -3.671853 1.327935 -0.371983
C 3.731714 -1.672597 -0.226796
C 4.618953 -0.613588 0.027557
C -4.415641 -0.915823 0.169087
C -4.693043 0.435153 -0.211760
H 0.552068 3.573245 -0.142835
H 2.983474 3.078836 0.232774
H -1.050175 -2.478807 1.664045
H 0.660930 -2.345621 1.210916
H 1.711311 -2.282196 -0.521425
H -2.944304 -2.377002 0.651520
H 4.798336 1.507888 0.335011
H -3.842978 2.368341 -0.653953
H 4.123987 -2.671764 -0.414284
H 5.690254 -0.800276 0.075780
H -5.254293 -1.599268 0.298498
H -5.730235 0.731563 -0.366748


%chk=000189966-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189966

0 1
Br -0.483380 -3.752898 -0.523891
N -1.346995 1.895395 -0.181807
C 0.376594 0.102175 0.074461
C -0.660724 -0.855104 0.314827
C 1.825506 -0.173782 0.023581
C -0.049525 1.497199 -0.075474
C -2.039763 -0.452593 0.163257
C 2.754671 0.931458 0.096785
C -2.331789 0.940631 -0.121755
C 0.929492 2.566284 -0.052965
C 2.269605 2.297377 0.084948
C -0.396936 -2.216791 0.876965
C 2.382161 -1.477282 -0.165756
C -3.147375 -1.360944 0.274528
C 4.158946 0.687627 0.109845
C -3.690654 1.370563 -0.293372
C 3.770121 -1.695646 -0.170207
C 4.670874 -0.612634 -0.000137
C -4.459124 -0.917693 0.099497
C -4.737520 0.458842 -0.186260
H 0.536383 3.584075 -0.124512
H 3.001743 3.111113 0.139957
H -1.171392 -2.524050 1.592437
H 0.599346 -2.328058 1.320768
H 1.733743 -2.327790 -0.386687
H -2.968668 -2.426252 0.448004
H 4.838740 1.544601 0.182716
H -3.858467 2.430941 -0.503757
H 4.153817 -2.709499 -0.326039
H 5.751746 -0.787478 0.008382
H -5.286134 -1.632466 0.170010
H -5.773744 0.787182 -0.319649


