%chk=000245726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245726

0 1
S -1.073010 0.281315 -0.799937
O -0.617680 -0.944514 1.521998
O 6.055466 1.169039 0.324696
O 5.907059 0.019522 -1.502769
N 5.436135 0.503015 -0.487318
C -4.697331 -0.991620 0.536220
C 1.306159 -0.184929 0.279539
C -2.792290 0.131320 -0.424830
C -3.306591 -0.914756 0.332696
C -5.534584 -0.020602 -0.033786
C 2.063833 0.564422 1.192503
C 1.890220 -0.715644 -0.878498
C -3.612466 1.112406 -0.990922
C 3.995136 0.261693 -0.218604
C -0.139397 -0.411806 0.565575
C -4.992694 1.022770 -0.791737
C 3.417429 0.793632 0.943639
C 3.245807 -0.493040 -1.131516
C -5.261614 -2.107764 1.351080
H -2.651102 -1.663040 0.783593
H 1.597714 0.964380 2.096604
H 1.296830 -1.303547 -1.584185
H -6.611687 -0.075130 0.114916
H -3.196798 1.933806 -1.573513
H 4.028799 1.377825 1.641425
H 3.724619 -0.898129 -2.030812
H -5.651304 1.773979 -1.227337
H -4.790096 -2.157541 2.344345
H -6.343069 -2.014324 1.514295
H -5.091190 -3.080236 0.865338


%chk=000245726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245726

0 1
S -1.165218 -0.164221 -1.324185
O -0.740335 0.061760 1.395465
O 6.245125 0.454196 0.847856
O 6.092806 0.121156 -1.404209
N 5.568233 0.260105 -0.233374
C -4.725685 -1.033076 0.647948
C 1.294659 0.063938 0.081083
C -2.905280 -0.117032 -0.715837
C -3.369230 -1.052336 0.231690
C -5.596958 -0.073364 0.072413
C 2.088437 0.271339 1.243158
C 1.923667 -0.079598 -1.184278
C -3.771319 0.845882 -1.281744
C 4.085951 0.192229 -0.122587
C -0.193589 0.006541 0.272551
C -5.126366 0.855462 -0.883786
C 3.489296 0.338982 1.148745
C 3.324805 -0.017256 -1.293060
C -5.217204 -2.014789 1.697099
H -2.680670 -1.788364 0.659040
H 1.584393 0.377525 2.208441
H 1.324612 -0.242274 -2.085423
H -6.650162 -0.052699 0.376466
H -3.395022 1.569826 -2.011205
H 4.121142 0.499736 2.025854
H 3.834254 -0.126173 -2.253620
H -5.811770 1.591648 -1.317402
H -4.835365 -1.744187 2.699923
H -6.319129 -2.029972 1.752003
H -4.871773 -3.042483 1.483672


