%chk=000281314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281314

0 1
S -0.427803 -0.785382 -0.000620
O 1.830060 -2.726143 -0.001432
O 5.198930 0.404827 0.000386
N 2.991335 1.137653 0.000283
N 3.535249 -1.204068 -0.000714
N 1.665102 0.877792 0.000182
C -1.279068 0.826584 0.000234
C -2.726779 0.461950 0.000117
C 1.264675 -0.367349 -0.000450
C -3.410988 0.289234 1.214314
C -3.410930 0.289798 -1.214193
C 2.145988 -1.564581 -0.001203
C 4.018252 0.132126 -0.000125
C -4.766937 -0.047528 1.210384
C -4.766878 -0.046966 -1.210485
C 3.374498 2.574840 0.001348
C -5.447198 -0.215010 -0.000106
H -0.985659 1.425602 -0.884512
H -0.985565 1.424720 0.885545
H -2.885878 0.412030 2.160479
H -2.885774 0.413040 -2.160276
H 4.241010 -1.955398 -0.000804
H 2.979202 3.080638 0.899856
H 2.976674 3.082626 -0.894921
H 4.479142 2.662369 -0.000107
H -5.294250 -0.181853 2.153866
H -5.294144 -0.180858 -2.154055
H -6.503469 -0.477694 -0.000193


%chk=000281314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281314

0 1
S -0.365054 -1.105354 -0.000626
O 2.125129 -2.861191 -0.000644
O 5.288628 0.600724 0.000902
N 2.989638 1.132373 -0.000226
N 3.688586 -1.117074 -0.000925
N 1.650389 0.753165 -0.000173
C -1.240713 0.607342 0.000235
C -2.733491 0.393185 0.000147
C 1.354841 -0.540622 -0.000773
C -3.447619 0.290147 1.222143
C -3.447552 0.290834 -1.221948
C 2.372578 -1.626352 -0.001416
C 4.081981 0.240957 -0.001169
C -4.846311 0.094337 1.223215
C -4.846240 0.095026 -1.223205
C 3.222304 2.586023 0.001366
C -5.549627 -0.003268 -0.000042
H -0.879884 1.137356 -0.894925
H -0.879871 1.136500 0.895898
H -2.904549 0.361644 2.172214
H -2.904427 0.362854 -2.171947
H 4.454729 -1.799184 -0.000343
H 2.772553 3.036619 0.901545
H 2.770420 3.038754 -0.896652
H 4.308748 2.754755 0.000323
H -5.385887 0.018430 2.173647
H -5.385766 0.019651 -2.173709
H -6.634736 -0.154631 -0.000115


