%chk=000117886.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117886

0 1
Br 1.118255 -4.272009 -1.504220
S 2.990717 0.432081 1.151171
O -0.967902 1.349064 1.968710
O -3.895789 -2.324786 -0.650703
O 3.331273 1.270496 2.274255
O 3.602023 -0.868494 0.973407
N 1.280124 0.193885 1.339202
N -1.762216 -3.587956 -1.498757
C -0.933042 -0.639222 0.671543
C -1.725149 -1.607576 -0.031586
C 0.468298 -0.754508 0.704928
C -3.088336 0.572708 1.347113
C -3.854726 -0.386033 0.670719
C -1.599643 0.485475 1.367048
C -3.196107 -1.510651 -0.055804
C -1.100469 -2.674903 -0.705085
C 1.095254 -1.888823 0.067446
C 0.336831 -2.787562 -0.610988
C 3.102410 1.315970 -0.314769
C -3.721939 1.625531 2.020959
C -5.252328 -0.291339 0.669004
C -5.117745 1.717509 2.017641
C -5.881699 0.760598 1.343111
C 2.929383 2.706177 -0.310389
C 3.376158 0.654568 -1.519067
C 3.284503 2.766564 -2.710007
C 3.017161 3.429403 -1.498651
C 3.464969 1.371200 -2.710667
C 3.361656 3.534286 -3.985428
H 0.767982 0.863690 1.979462
H 2.187602 -2.037947 0.166082
H -3.112291 2.367193 2.546656
H -5.837922 -1.047145 0.136281
H -5.608225 2.536935 2.543425
H -6.969565 0.831932 1.341323
H 2.731206 3.232534 0.630842
H 3.529910 -0.431134 -1.526484
H -1.344473 -4.468587 -1.756129
H -2.789084 -3.569533 -1.519824
H 2.878737 4.509465 -1.487158
H 3.675129 0.849460 -3.643067
H 2.369191 3.598845 -4.460651
H 3.712085 4.565845 -3.837882
H 4.036591 3.070193 -4.718708


%chk=000117886-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117886

0 1
Br 1.045510 -4.345790 -1.581648
S 2.881121 0.503835 1.103932
O -1.049933 1.379145 1.882279
O -4.147199 -2.587002 -0.429068
O 3.127286 1.486852 2.365465
O 3.620807 -0.941455 0.967004
N 1.051323 0.284657 1.106931
N -2.035175 -3.823832 -1.243230
C -1.123787 -0.688608 0.627692
C -1.923926 -1.730010 0.027681
C 0.315353 -0.744736 0.544769
C -3.228838 0.479864 1.421090
C -4.022600 -0.542668 0.825963
C -1.754343 0.430143 1.331112
C -3.392191 -1.679012 0.105792
C -1.298229 -2.831853 -0.658235
C 0.929973 -1.862467 -0.117356
C 0.144970 -2.846370 -0.691930
C 3.205426 1.473595 -0.483142
C -3.856661 1.552464 2.106120
C -5.436115 -0.478061 0.923000
C -5.259459 1.607598 2.197351
C -6.051616 0.589105 1.603516
C 3.053722 2.869017 -0.438243
C 3.611680 0.770327 -1.627034
C 3.706424 2.930075 -2.818320
C 3.309843 3.590716 -1.623546
C 3.861163 1.518775 -2.799125
C 3.949487 3.720319 -4.090372
H 0.460156 1.012505 1.624246
H 2.019715 -1.945807 -0.122391
H -3.221381 2.321476 2.555436
H -6.020791 -1.276921 0.457317
H -5.741779 2.435713 2.727453
H -7.143498 0.634328 1.676621
H 2.771555 3.371621 0.492481
H 3.760077 -0.313819 -1.596013
H -1.570129 -4.600596 -1.711547
H -3.065418 -3.731071 -1.158801
H 3.205460 4.681630 -1.618734
H 4.186613 0.998033 -3.706584
H 2.996425 3.913705 -4.619572
H 4.408506 4.701297 -3.876380
H 4.609271 3.176683 -4.787679


