%chk=000291801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291801

0 1
Br 1.848280 -3.091889 2.340653
S -2.780942 1.025056 -1.566222
O 3.387464 2.221780 -0.096172
O -3.717931 2.122943 -1.703053
O -2.445234 0.236176 -2.722306
N -1.340016 1.874379 -1.042745
N -0.388920 1.067592 -0.513304
C -3.208634 0.023812 -0.245450
C -3.899222 -1.606801 1.929077
C -4.228273 0.415929 0.630836
C -2.536207 -1.187706 -0.034117
C -4.575997 -0.393475 1.711286
C -2.876292 -1.999097 1.046784
C 1.764075 0.622836 0.432626
C 3.138674 1.001006 0.474375
C -4.254588 -2.479248 3.085093
C 1.399878 -0.603030 0.996757
C 0.789311 1.531726 -0.187737
C 4.106833 0.174436 1.056215
C 2.375777 -1.422446 1.577461
C 3.717735 -1.049943 1.611522
C 4.770702 2.711011 -0.125910
C 4.641539 4.046094 -0.830136
H -4.759169 1.361496 0.464961
H -1.738926 -1.499763 -0.719569
H -5.371108 -0.083076 2.386435
H -2.347038 -2.936954 1.208980
H -1.159259 2.860281 -1.275268
H -4.569724 -3.479560 2.750493
H -3.392715 -2.624078 3.755194
H -5.071460 -2.074075 3.697224
H 0.349730 -0.912698 0.979023
H 1.147619 2.561903 -0.340509
H 5.153386 0.461076 1.084921
H 4.468809 -1.699153 2.065526
H 5.127432 2.805045 0.913849
H 5.382537 1.985811 -0.689462
H 5.618237 4.529423 -0.951225
H 4.195663 3.929416 -1.828729
H 3.989173 4.733365 -0.273577


%chk=000291801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291801

0 1
Br 2.692250 -3.414295 1.693863
S -2.679064 0.680487 -1.540405
O 3.581278 2.427749 -0.106165
O -3.664326 1.885257 -2.013970
O -2.097766 -0.419014 -2.587142
N -1.247612 1.677233 -0.684687
N -0.201732 0.884010 -0.317400
C -3.406084 -0.222114 -0.068771
C -4.529118 -1.584512 2.098249
C -4.327446 0.463422 0.736182
C -3.019604 -1.554783 0.146043
C -4.888163 -0.237968 1.827143
C -3.594500 -2.229719 1.243306
C 2.124995 0.555891 0.259898
C 3.449296 1.098474 0.315777
C -5.132217 -2.330918 3.273886
C 1.918401 -0.787422 0.675198
C 1.018555 1.384303 -0.223630
C 4.528521 0.304309 0.772250
C 3.000838 -1.557739 1.123718
C 4.308109 -1.030112 1.178428
C 4.926348 3.042089 -0.080546
C 4.769802 4.470325 -0.593986
H -4.606517 1.497326 0.510021
H -2.310140 -2.043329 -0.528946
H -5.613372 0.268709 2.473495
H -3.312248 -3.270581 1.439563
H -1.081275 2.518717 -1.284102
H -5.674593 -3.233791 2.937016
H -4.346992 -2.667737 3.975996
H -5.840970 -1.700818 3.836704
H 0.902160 -1.187684 0.632909
H 1.249810 2.432754 -0.475629
H 5.543872 0.706260 0.817566
H 5.143021 -1.641797 1.531092
H 5.315027 3.026307 0.958032
H 5.608095 2.452844 -0.726907
H 5.750630 4.979224 -0.595982
H 4.372998 4.474238 -1.623328
H 4.080929 5.044005 0.049059


