%chk=000231832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231832

0 1
Br -5.537928 0.428804 1.776420
S 2.924030 0.458705 0.140564
O 3.316114 0.107838 -1.226044
O 3.476428 1.618580 0.805031
O 5.528559 -0.911459 -0.521011
O -3.604742 -0.297938 -1.597029
N 3.281257 -0.887877 1.165473
N -3.010073 0.776629 0.360801
C 1.204379 0.540340 0.184055
C 3.661891 -2.143460 0.476978
C -1.589206 0.674369 0.253427
C 0.560614 1.182245 1.249495
C 0.445584 -0.022706 -0.848512
C -0.828197 1.254602 1.296022
C -0.946109 0.036251 -0.822550
C 5.138257 -2.165790 0.022512
C -3.932617 0.256814 -0.571407
C -5.397147 0.486098 -0.190378
C -6.297327 -0.551289 -0.819393
H 3.933317 -0.683657 1.940021
H 2.990594 -2.307272 -0.396548
H 3.470952 -2.991470 1.174764
H 1.151487 1.641372 2.051085
H 0.947947 -0.507248 -1.695765
H -1.313973 1.754655 2.130899
H -1.528406 -0.408065 -1.638006
H 5.315440 -2.968475 -0.715091
H 5.832748 -2.292969 0.875143
H -3.340796 1.293312 1.187822
H -5.704622 1.517344 -0.493801
H -6.162237 -0.572049 -1.915520
H -7.358564 -0.354442 -0.615309
H -6.079431 -1.570566 -0.465061
H 4.989678 -0.684626 -1.340684


%chk=000231832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231832

0 1
Br -5.897565 1.582639 1.329439
S 2.989524 0.509830 0.261990
O 3.449928 0.295551 -1.309258
O 3.539479 1.730701 1.183445
O 5.777486 -1.024268 -0.454834
O -3.701862 -0.013301 -1.901891
N 3.350757 -1.061611 1.244205
N -3.079155 0.767046 0.230832
C 1.118569 0.566426 0.227488
C 3.721772 -2.212448 0.370580
C -1.662638 0.683676 0.179293
C 0.454295 1.037894 1.373093
C 0.449912 0.168544 -0.939878
C -0.949622 1.094519 1.341234
C -0.958744 0.225316 -0.968162
C 5.223815 -2.294797 -0.008240
C -3.991694 0.434763 -0.751403
C -5.494375 0.586756 -0.435256
C -6.213749 -0.769898 -0.417323
H 4.141085 -0.755528 1.850233
H 3.103632 -2.151942 -0.545181
H 3.415572 -3.129926 0.910084
H 1.016307 1.366318 2.252331
H 1.019916 -0.154048 -1.816723
H -1.495365 1.459960 2.219140
H -1.513175 -0.071555 -1.859769
H 5.345427 -3.092677 -0.773520
H 5.824439 -2.575293 0.876281
H -3.487984 1.135173 1.098874
H -5.927558 1.259273 -1.192972
H -6.018476 -1.279926 -1.378271
H -7.300816 -0.632015 -0.302450
H -5.848480 -1.410074 0.403169
H 5.137244 -0.568478 -1.078178


