%chk=000244098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244098

0 1
S 2.457426 1.652002 -0.253277
O 0.977166 -3.061184 0.322116
N 1.572277 -0.867504 0.038156
N -2.411757 0.333572 -0.382001
N -0.092032 0.847846 -0.211790
N -2.687957 1.732363 -0.332175
C -1.102213 -0.133512 -0.128123
C 1.175958 0.440670 -0.135929
C 0.552084 -1.936640 0.160025
C -0.795759 -1.468496 0.072459
C 3.005538 -1.232876 0.108951
C -3.544189 -0.451675 0.185410
C 1.588768 3.206066 -0.507015
H -1.559670 -2.238467 0.152200
H 3.093882 -2.333687 0.245563
H 3.502559 -0.750471 0.967656
H 3.534814 -0.969737 -0.822697
H -4.494908 0.085012 0.005309
H -3.451173 -0.632203 1.267827
H -3.598473 -1.419493 -0.343244
H -2.361816 2.142822 -1.218540
H -2.156643 2.207197 0.410399
H 2.342029 3.997607 -0.620675
H 0.937155 3.454360 0.342223
H 0.961032 3.181927 -1.409330


%chk=000244098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244098

0 1
S 2.541734 1.668150 -0.350599
O 0.967317 -3.116662 0.402945
N 1.584493 -0.859937 0.049885
N -2.374293 0.400335 -0.065290
N -0.071029 0.860946 -0.178491
N -2.637137 1.787955 -0.271648
C -1.077335 -0.093889 -0.014561
C 1.188677 0.445929 -0.140439
C 0.572782 -1.922833 0.230219
C -0.785018 -1.454708 0.185367
C 3.005686 -1.259908 0.084112
C -3.538756 -0.481334 0.082840
C 1.524059 3.231039 -0.566398
H -1.560382 -2.209264 0.315136
H 3.016807 -2.349332 0.246251
H 3.534605 -0.753424 0.910626
H 3.502744 -1.018881 -0.872016
H -4.435656 0.147098 -0.000889
H -3.539986 -0.989098 1.067647
H -3.562569 -1.256970 -0.708078
H -2.233216 2.096350 -1.168721
H -2.233400 2.345155 0.496477
H 2.261002 4.038734 -0.697953
H 0.910674 3.397005 0.329523
H 0.882296 3.133042 -1.452446


