%chk=000250727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250727

0 1
S 0.055885 2.500788 0.418579
O 2.327569 -1.914935 0.149306
N -1.184686 0.150959 0.249317
N 1.218792 0.092279 0.278281
N -2.462753 -1.893322 -0.024854
C 0.057557 0.833348 0.304829
C -2.459318 0.936111 0.354240
C 2.548971 0.794258 0.325034
C -1.222033 -1.253484 0.048843
C 1.244610 -1.372882 0.137241
C -0.050753 -1.970762 -0.004400
C -2.975344 1.343824 -1.018505
C 2.974998 1.259532 -1.060780
H -3.206520 0.333501 0.917150
H -2.284872 1.845182 0.988476
H 2.497175 1.647674 1.039893
H 3.289639 0.063003 0.734963
H -0.043611 -3.051013 -0.145996
H -2.269498 2.031351 -1.515962
H -3.126896 0.500159 -1.697215
H -3.926476 1.885086 -0.932228
H 3.048440 0.423626 -1.767581
H 2.273475 1.993388 -1.481521
H 3.959531 1.741711 -1.018929
H -3.288218 -1.377586 -0.291506
H -2.467063 -2.867496 -0.299876


%chk=000250727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250727

0 1
S 0.052979 2.601882 0.415686
O 2.374306 -1.924000 0.064011
N -1.181755 0.157462 0.224902
N 1.206487 0.119714 0.258941
N -2.446270 -1.846998 -0.095341
C 0.042603 0.877645 0.293063
C -2.462423 0.911359 0.349223
C 2.535215 0.794851 0.343674
C -1.210024 -1.232381 0.019757
C 1.253053 -1.332124 0.095079
C -0.029624 -1.961584 -0.042780
C -3.053091 1.325024 -1.014415
C 3.051603 1.225117 -1.042430
H -3.162468 0.300646 0.948354
H -2.230335 1.819156 0.929640
H 2.422036 1.666816 1.007268
H 3.220067 0.057630 0.792021
H -0.042891 -3.038709 -0.215681
H -2.356778 2.012883 -1.522801
H -3.237555 0.464094 -1.683086
H -4.009345 1.857082 -0.861568
H 3.171360 0.348545 -1.702011
H 2.362289 1.948360 -1.510753
H 4.038291 1.710732 -0.933266
H -3.309900 -1.331403 -0.228892
H -2.469228 -2.857500 -0.201794


