%chk=000222671.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222671

0 1
S 3.084932 0.728626 -0.412205
O -2.424318 -1.228503 0.135837
O -1.767679 1.628579 -0.452375
N 0.435421 1.087046 -0.419462
N 1.202890 -1.170778 -0.107338
C -1.175853 -0.708966 -0.102549
C -0.956388 0.732714 -0.326143
C 1.436623 0.115258 -0.295392
C -0.125208 -1.590598 -0.017455
C -3.536713 -0.600942 -0.561448
C 4.108543 -0.727092 -0.156431
H 0.666035 2.078052 -0.554686
H -0.273415 -2.664376 0.143396
H -4.379707 -1.207893 -0.211109
H -3.399162 -0.685655 -1.641440
H -3.639607 0.447433 -0.251693
H 3.900259 -1.511503 -0.899973
H 3.947246 -1.173152 0.836100
H 5.160302 -0.423752 -0.244635


%chk=000222671-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222671

0 1
S 3.168371 0.801409 -0.451710
O -2.440268 -1.200757 0.157214
O -1.798603 1.698451 -0.294322
N 0.454496 1.078368 -0.380044
N 1.244422 -1.142202 -0.072350
C -1.171233 -0.674990 -0.056292
C -0.937928 0.766889 -0.247213
C 1.477237 0.145660 -0.280620
C -0.082742 -1.541817 0.028740
C -3.582303 -0.652487 -0.618731
C 4.139458 -0.787499 -0.190252
H 0.658587 2.076578 -0.511523
H -0.258461 -2.607919 0.198065
H -4.458724 -1.190752 -0.229288
H -3.447496 -0.874149 -1.694101
H -3.673487 0.433272 -0.462431
H 3.854508 -1.517828 -0.959041
H 3.920985 -1.187673 0.808764
H 5.197380 -0.498057 -0.283866


