%chk=000253931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253931

0 1
S 0.766760 -1.798895 0.164099
O 2.746521 -0.415983 -0.472718
N -1.746550 -1.401286 -0.290698
N -2.950791 0.736604 -0.240050
N -4.091883 -1.306987 -0.644570
C 1.607401 0.484901 1.512054
C 0.708072 1.345822 0.615476
C 2.124397 -0.738037 0.769964
C -0.576422 0.661973 0.268891
C -0.623918 -0.724203 0.046504
C -1.794504 1.369047 0.098762
C 4.103966 0.103250 -0.378438
C -1.891839 2.849351 0.264288
C -2.899618 -0.639428 -0.403668
C 4.556371 0.184149 -1.824807
H 2.460517 1.094259 1.871640
H 1.056703 0.174836 2.424566
H 1.255345 1.579684 -0.329241
H 0.518865 2.315882 1.115889
H 2.796733 -1.368701 1.393095
H 4.068415 1.091173 0.110432
H 4.717212 -0.593255 0.218182
H -1.227779 3.374049 -0.437497
H -2.916444 3.215906 0.077114
H -1.622789 3.155931 1.285355
H 5.575079 0.574895 -1.909139
H 4.524246 -0.805453 -2.302696
H 3.887572 0.829114 -2.411543
H -4.048491 -2.264995 -0.961286
H -4.894348 -0.766204 -0.931358


%chk=000253931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253931

0 1
S 1.042204 -1.601537 0.686268
O 2.961424 0.343127 -0.065146
N -1.481679 -1.431504 -0.143480
N -2.864882 0.557202 -0.434706
N -3.697220 -1.589087 -0.891205
C 1.586162 0.966702 1.798550
C 0.569386 1.668902 0.873222
C 2.297059 -0.192349 1.095271
C -0.564827 0.775455 0.398691
C -0.463978 -0.638262 0.277777
C -1.822263 1.327340 -0.000069
C 3.837689 -0.613518 -0.773446
C -2.078748 2.819455 0.034797
C -2.649684 -0.798817 -0.474785
C 4.515094 0.147905 -1.910534
H 2.355824 1.697109 2.111299
H 1.091098 0.580761 2.708154
H 1.122017 2.067581 -0.000956
H 0.152279 2.541576 1.408209
H 3.011079 -0.715165 1.764760
H 4.583746 -1.024606 -0.058366
H 3.217779 -1.449857 -1.154389
H -1.306733 3.378949 -0.524751
H -3.064962 3.023429 -0.408543
H -2.073606 3.205459 1.072282
H 5.183648 -0.526948 -2.475278
H 3.760557 0.553658 -2.605980
H 5.114345 0.987508 -1.518192
H -3.569802 -2.595823 -0.939661
H -4.574207 -1.147245 -1.151191


