%chk=000260853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260853

0 1
Br 4.912907 3.170822 1.077240
S 1.255873 -1.863046 -0.494010
O -2.578194 -1.207471 0.134605
O 1.443513 -2.197809 -1.887627
O 1.429470 -2.908702 0.505598
N -4.231070 2.041108 -0.240602
N -0.316602 -1.239608 -0.305113
C -4.090962 0.572301 0.016491
C -2.604330 0.239210 -0.159345
C -5.312838 2.628783 0.603148
C -4.493665 2.307621 -1.685931
C 2.242446 -0.502413 -0.074440
C -1.396984 -1.872984 0.028129
C 2.880266 -0.470116 1.169332
C 2.399161 0.551496 -0.978423
C -1.616170 -3.310921 0.349686
C 3.680189 0.622602 1.519097
C 3.195829 1.651882 -0.640791
C 3.823812 1.670247 0.606122
H -4.709696 -0.068101 -0.647452
H -4.401230 0.320199 1.054252
H -1.951182 0.753456 0.564505
H -2.228303 0.395121 -1.182681
H -6.315389 2.210491 0.433301
H -5.357043 3.715092 0.419250
H -5.051934 2.495690 1.665809
H -3.676310 1.881961 -2.289746
H -4.482016 3.397492 -1.852035
H -5.446291 1.911206 -2.066536
H 2.761205 -1.304846 1.872263
H 1.906362 0.521337 -1.956708
H -0.747056 -3.738487 0.893494
H -2.511653 -3.472863 0.968968
H -1.744295 -3.912150 -0.565155
H 4.179936 0.648359 2.488467
H 3.319043 2.475541 -1.345461


%chk=000260853-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260853

0 1
Br 5.286050 3.209524 0.332472
S 1.229286 -1.977135 -0.041531
O -2.731940 -1.289834 -0.061108
O 1.460184 -2.678680 -1.497622
O 1.410601 -2.848852 1.327086
N -4.475325 2.022085 0.036857
N -0.431358 -1.060590 -0.014489
C -4.294244 0.552787 0.011213
C -2.801305 0.205038 0.024004
C -5.743549 2.438543 0.669450
C -4.280335 2.657648 -1.282968
C 2.358639 -0.480792 0.066312
C -1.480820 -1.867636 -0.072937
C 2.731570 -0.022025 1.338810
C 2.817093 0.088767 -1.131126
C -1.537390 -3.373260 -0.154486
C 3.608767 1.083344 1.417577
C 3.694688 1.193643 -1.049923
C 4.071012 1.676769 0.222430
H -4.781652 0.071615 -0.872304
H -4.761449 0.121242 0.914518
H -2.313007 0.538643 0.954893
H -2.247850 0.627842 -0.832498
H -6.653513 2.114141 0.104035
H -5.770096 3.540175 0.748687
H -5.806811 2.023996 1.690854
H -3.289065 2.401183 -1.694631
H -4.320950 3.755646 -1.172688
H -5.054813 2.354402 -2.032550
H 2.367933 -0.523823 2.240854
H 2.517449 -0.330135 -2.096884
H -1.023827 -3.816491 0.717139
H -2.583909 -3.708723 -0.185089
H -1.003524 -3.720831 -1.056894
H 3.924150 1.470158 2.390164
H 4.076111 1.664116 -1.959927


