%chk=000190145.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190145

0 1
Br -4.433029 2.864660 -0.312402
O -1.526303 2.080393 0.877852
C -2.111050 1.172951 -0.063290
C -1.465196 -0.199222 -0.006746
C -3.627097 1.133905 0.217391
C -4.304020 -0.002154 -0.534482
C -2.221794 -1.343500 -0.010881
C -3.725865 -1.336623 -0.049396
C -0.012959 -0.283083 -0.003376
C 0.601920 -1.578566 0.038123
C -1.590759 -2.641082 0.038205
C -0.237020 -2.754232 0.067014
C 0.816126 0.847900 -0.050050
C 1.998677 -1.698620 0.042104
C 2.214054 0.732820 -0.050273
C 2.820025 -0.563157 -0.001217
C 3.068984 1.897511 -0.097794
C 4.261517 -0.660614 0.000148
C 4.425060 1.764959 -0.095402
C 5.032681 0.461935 -0.045417
H -1.883582 1.662579 -1.045184
H -3.812791 1.061993 1.312738
H -4.152088 0.105769 -1.628923
H -5.402098 0.017275 -0.383343
H -4.112093 -1.575181 0.965613
H -4.095989 -2.152881 -0.705484
H -2.227719 -3.524559 0.051828
H 0.370994 1.849694 -0.077251
H 0.248280 -3.729738 0.107063
H 2.453220 -2.688402 0.076750
H -1.434228 1.666134 1.761923
H 2.594761 2.878077 -0.134628
H 4.707702 -1.653041 0.038128
H 5.078478 2.635362 -0.130918
H 6.119899 0.402139 -0.045222


%chk=000190145-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190145

0 1
Br -4.439786 2.922772 -0.504223
O -1.608046 2.052382 1.156618
C -2.128172 1.194793 0.065221
C -1.477043 -0.198511 0.072208
C -3.668231 1.141854 0.139308
C -4.274355 -0.010550 -0.660055
C -2.249222 -1.369178 0.057631
C -3.768821 -1.331661 -0.036491
C -0.020097 -0.284906 0.052373
C 0.610961 -1.603428 0.071463
C -1.604522 -2.657814 0.092817
C -0.224304 -2.775247 0.110386
C 0.820667 0.856752 -0.009851
C 2.022058 -1.713775 0.037134
C 2.233713 0.745552 -0.054699
C 2.856454 -0.572372 -0.027325
C 3.081961 1.908989 -0.120910
C 4.293771 -0.666509 -0.068570
C 4.467146 1.781742 -0.159877
C 5.080054 0.479655 -0.133794
H -1.824310 1.740887 -0.846397
H -3.995722 1.105287 1.193401
H -3.961625 0.057213 -1.718685
H -5.376555 0.040152 -0.630378
H -4.218059 -1.462430 0.970753
H -4.121020 -2.187640 -0.642074
H -2.233677 -3.556065 0.095005
H 0.375573 1.855481 0.003704
H 0.251070 -3.762890 0.133743
H 2.476650 -2.712498 0.053653
H -1.585893 1.520350 1.993080
H 2.613691 2.900102 -0.138784
H 4.758707 -1.659511 -0.047948
H 5.101490 2.673444 -0.210029
H 6.172192 0.398980 -0.165208


