%chk=000244944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244944

0 1
Br -1.938000 3.282654 0.185739
Cl -4.943632 1.721310 0.271549
S -2.776202 -2.991094 -0.189581
O 2.486065 2.383445 0.825793
O 5.076053 -1.264124 -0.214837
N 0.151348 1.193380 -0.119844
N 3.790825 0.585052 0.327382
N 2.833752 -1.350746 -0.725092
N -1.229230 -0.775342 -0.156026
N -3.644892 -0.531393 0.032381
C 1.390655 0.487336 -0.175995
C -1.090746 0.597288 -0.054839
C 2.533689 1.259929 0.372319
C 1.566861 -0.756038 -0.711747
C -2.244032 1.439332 0.080477
C 3.996302 -0.713922 -0.199379
C -2.499421 -1.263232 -0.097814
C -3.497692 0.821734 0.116400
C -1.127282 -3.702735 -0.292645
H 0.250949 2.208650 0.069587
H 0.742173 -1.348370 -1.144252
H 4.616960 1.073358 0.708656
H 2.953255 -2.287566 -1.120951
H -0.460379 -3.323430 0.494246
H -0.658070 -3.510132 -1.264078
H -1.228508 -4.789944 -0.161552


%chk=000244944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244944

0 1
Br -1.961988 3.342192 0.452559
Cl -5.003568 1.849756 0.278547
S -2.920086 -3.002177 -0.430257
O 2.416075 2.568488 0.277466
O 5.263608 -1.121568 -0.304640
N 0.175125 1.059709 0.092340
N 3.818409 0.713132 -0.015211
N 2.937609 -1.439670 -0.315096
N -1.290679 -0.792507 -0.147339
N -3.694959 -0.476203 -0.067448
C 1.406338 0.393536 -0.023032
C -1.103196 0.557232 0.041564
C 2.552581 1.320406 0.093811
C 1.632634 -0.952629 -0.222761
C -2.235124 1.438799 0.183730
C 4.098873 -0.654427 -0.220909
C -2.573449 -1.239128 -0.189802
C -3.507621 0.844277 0.116379
C -1.182935 -3.704996 -0.548730
H 0.290550 2.075947 0.236052
H 0.808448 -1.657862 -0.312001
H 4.635045 1.327884 0.062140
H 3.103370 -2.436730 -0.462226
H -0.633311 -3.504260 0.382651
H -0.662335 -3.274652 -1.416896
H -1.318615 -4.789149 -0.684993


