%chk=000202403.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202403

0 1
Br -0.763581 3.932961 -0.048318
S 1.980739 0.958265 -1.875891
S 0.642832 -1.727477 -0.113697
P 2.147709 -0.934265 -1.037066
O 0.742303 0.461539 1.966604
O -1.480244 1.379729 -1.997421
O 2.667188 -1.657549 -2.420726
O 3.527765 -0.828681 -0.137918
N -0.112521 1.151477 -0.100191
C 1.050857 1.896245 -0.527244
C -1.476422 -0.286002 1.151768
C -2.164627 0.034747 -0.051655
C -0.137710 0.384825 1.148567
C -1.305261 0.916249 -0.904594
C 0.651032 3.199013 -1.191709
C -2.049412 -1.097297 2.109260
C -3.428292 -0.458075 -0.303725
C -3.345099 -1.601940 1.852357
C -4.018022 -1.290140 0.675655
C 2.893285 -3.088922 -2.333392
C 3.431781 -1.142976 1.274840
H 1.754340 2.050490 0.339099
H 1.475228 3.928339 -1.262218
H 0.204006 3.064372 -2.203335
H -1.522549 -1.348335 3.030139
H -3.956626 -0.218938 -1.227434
H -3.815882 -2.248547 2.594351
H -5.015959 -1.691989 0.495331
H 1.971881 -3.630356 -2.080735
H 3.713426 -3.317494 -1.642668
H 3.194513 -3.324922 -3.366720
H 3.203889 -2.203207 1.432382
H 2.705241 -0.494383 1.790916
H 4.451993 -0.913857 1.617590


%chk=000202403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202403

0 1
Br 0.562669 3.753865 0.247024
S 1.043703 -0.122461 -2.304337
S 2.059049 -3.440256 -0.691175
P 2.569172 -1.550638 -1.353631
O 0.305423 -0.384466 1.787314
O -2.085465 1.451723 -1.834509
O 3.659026 -1.462714 -2.705616
O 3.338318 -0.514475 -0.176694
N -0.585771 0.665950 -0.154627
C 0.680864 1.004276 -0.768156
C -2.138338 -0.225868 1.338124
C -2.855532 0.329317 0.249924
C -0.678597 -0.033359 1.093842
C -1.878367 0.895937 -0.729686
C 0.792756 2.438762 -1.288439
C -2.797469 -0.837626 2.414831
C -4.256804 0.291639 0.201630
C -4.215256 -0.880042 2.375900
C -4.933506 -0.324068 1.286507
C 4.693808 -2.515561 -2.845881
C 3.516425 -0.998855 1.220832
H 1.485571 0.783389 -0.046148
H 1.801457 2.623611 -1.680715
H 0.010602 2.698556 -2.013880
H -2.232807 -1.265633 3.248722
H -4.800326 0.722555 -0.644750
H -4.765723 -1.350137 3.197593
H -6.027499 -0.373125 1.284361
H 4.241197 -3.522607 -2.797760
H 5.467766 -2.407152 -2.065318
H 5.127716 -2.335286 -3.840296
H 4.055188 -1.961757 1.234556
H 2.539217 -1.092751 1.720463
H 4.119335 -0.207842 1.692194


