%chk=000266849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266849

0 1
Br -0.827013 -2.082147 -2.580539
S -0.877071 -1.767630 1.097281
O -0.127132 -1.538123 2.316752
O -1.735897 -2.920795 1.016522
N 0.344991 -1.942134 -0.160314
C 1.687384 -2.428724 0.295248
C 2.885876 -1.611336 -0.214079
C 2.761507 -0.136398 0.050063
C 1.819963 0.630565 -0.673828
C 0.299394 -1.174562 -1.326807
C -1.733019 -0.353915 0.636550
C 0.920574 -0.026672 -1.633602
C 3.593094 0.499045 0.980479
C 1.740783 2.015942 -0.472844
C -2.869984 -0.456800 -0.176796
C -1.310915 0.902392 1.088023
C 3.500390 1.879185 1.183997
C 2.579762 2.637884 0.455206
C -3.149461 1.951993 -0.096161
C -3.574434 0.687546 -0.544261
C -2.012220 2.051544 0.724071
C -3.912157 3.171655 -0.489787
H 1.783512 -3.482500 -0.060242
H 1.709210 -2.447471 1.414070
H 3.016955 -1.775691 -1.307341
H 3.808187 -2.019414 0.249987
H 0.795224 0.464379 -2.600338
H 4.312631 -0.083212 1.554527
H 1.020266 2.605494 -1.037693
H -3.207773 -1.441745 -0.524193
H -0.426978 0.986110 1.732578
H 4.149003 2.363080 1.912900
H 2.515945 3.713166 0.610227
H -4.455414 0.602365 -1.178053
H -1.678591 3.024058 1.080569
H -4.032845 3.239150 -1.581562
H -4.925067 3.161615 -0.057203
H -3.434278 4.104402 -0.161408


%chk=000266849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266849

0 1
Br -0.660382 -1.710381 -3.086419
S -1.209146 -2.053094 0.937280
O -0.167374 -1.653654 2.192285
O -2.402669 -3.158304 1.213992
N 0.846417 -2.403298 -0.794062
C 1.871818 -2.469110 0.246075
C 3.153873 -1.641771 0.000083
C 2.989056 -0.141135 0.162035
C 2.051960 0.592606 -0.650530
C 0.665428 -1.359896 -1.589099
C -2.082239 -0.419846 0.535635
C 1.117841 -0.020989 -1.571638
C 3.815312 0.573965 1.053830
C 2.035515 2.025067 -0.569817
C -3.335880 -0.484973 -0.097155
C -1.458056 0.790747 0.876293
C 3.758576 1.985584 1.150484
C 2.870238 2.715754 0.323303
C -3.406241 1.982300 -0.060359
C -3.992934 0.729648 -0.387629
C -2.136002 1.993324 0.572629
C -4.141724 3.277087 -0.354393
H 2.129261 -3.536823 0.375113
H 1.380776 -2.158918 1.218670
H 3.523048 -1.864676 -1.022688
H 3.926101 -2.000477 0.704455
H 0.654649 0.649556 -2.304726
H 4.527736 0.020918 1.676560
H 1.335982 2.579073 -1.207280
H -3.788344 -1.453115 -0.333797
H -0.491448 0.790933 1.390523
H 4.413472 2.510822 1.853988
H 2.835167 3.808542 0.378871
H -4.975724 0.703299 -0.872685
H -1.671731 2.949891 0.840326
H -4.667040 3.233172 -1.324868
H -4.905706 3.479674 0.420946
H -3.455182 4.140800 -0.374233


