%chk=000259481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259481

0 1
Br -7.133824 0.968291 1.718100
S -1.475015 -0.893842 -0.676171
O -0.895112 -1.852844 0.248192
O -1.617318 -1.241428 -2.075405
N -0.547722 0.570298 -0.633102
N 2.341362 0.343058 -0.237764
C 0.416879 0.741859 -1.754458
C 0.105341 0.882055 0.667871
C 1.730316 -0.043362 -1.548227
C 1.399417 0.069904 0.892182
C 3.714780 0.011769 -0.038015
C -3.002377 -0.379537 -0.031771
C 4.584600 -0.137855 -1.143427
C 4.258117 -0.044196 1.266758
C -3.791346 0.531197 -0.739009
C -3.442825 -0.898538 1.189923
C 5.950101 -0.327722 -0.939982
C 5.626541 -0.234844 1.448496
C -5.026679 0.938223 -0.221547
C -4.675013 -0.501192 1.717710
C 6.481879 -0.380054 0.352046
C -5.450039 0.415668 1.002264
H 0.639897 1.831728 -1.840033
H -0.063806 0.432326 -2.712591
H -0.605068 0.706238 1.502852
H 0.341030 1.973762 0.671036
H 1.549364 -1.140026 -1.612522
H 2.437079 0.212054 -2.372057
H 1.869984 0.383448 1.851402
H 1.161752 -1.018709 0.985137
H 4.197075 -0.093259 -2.159191
H 3.614507 0.071929 2.136350
H -3.453380 0.930588 -1.701214
H -2.824841 -1.623993 1.735929
H 6.609218 -0.438458 -1.801019
H 6.032089 -0.273044 2.459467
H -5.643602 1.649898 -0.772905
H -5.020479 -0.906992 2.670084
H 7.546218 -0.531697 0.502110


%chk=000259481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259481

0 1
Br -7.320153 1.168479 1.622750
S -1.505699 -1.041876 -0.593335
O -0.967896 -2.087406 0.550675
O -1.683122 -1.503985 -2.147772
N -0.497245 0.604299 -0.677998
N 2.377950 0.186956 -0.243408
C 0.473348 0.540362 -1.810897
C 0.165316 0.890357 0.629554
C 1.745771 -0.272149 -1.500870
C 1.465341 0.096723 0.912264
C 3.778149 0.033488 -0.053229
C -3.151517 -0.373161 0.038956
C 4.687168 0.300857 -1.121950
C 4.327661 -0.347100 1.207498
C -3.944749 0.399330 -0.824790
C -3.536844 -0.725174 1.341409
C 6.078278 0.189413 -0.933626
C 5.724687 -0.442282 1.387578
C -5.192193 0.860234 -0.348187
C -4.786278 -0.262843 1.815603
C 6.614877 -0.179302 0.323258
C -5.591437 0.525912 0.965873
H 0.732065 1.595177 -2.026159
H -0.052188 0.117494 -2.684922
H -0.563865 0.728609 1.443923
H 0.398295 1.972650 0.593095
H 1.475411 -1.351681 -1.429058
H 2.450515 -0.169810 -2.339869
H 1.946841 0.555574 1.792798
H 1.209792 -0.956951 1.160675
H 4.309590 0.628039 -2.096564
H 3.671194 -0.599794 2.045491
H -3.611753 0.629301 -1.841052
H -2.888634 -1.359742 1.954831
H 6.749218 0.407476 -1.772766
H 6.115569 -0.741588 2.367178
H -5.838565 1.465144 -0.989581
H -5.123111 -0.518146 2.823826
H 7.697311 -0.260183 0.466294


