%chk=000294385.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294385

0 1
S -3.424757 -0.818376 0.103028
O -0.323018 3.131192 -0.125113
O -3.665550 -1.111223 -1.541898
O -3.433689 -2.100041 0.748047
O -4.420148 0.173981 0.414905
N 4.132237 -1.662662 -0.063688
N 5.401282 -1.273428 0.458697
C 0.594997 -0.471698 0.045826
C 0.776170 0.935391 -0.030157
C -1.820526 -0.167935 0.059402
C -0.737192 -1.007908 0.090211
C -0.398185 1.763244 -0.056363
C 1.732918 -1.322404 0.086650
C -1.676095 1.238179 -0.010976
C 2.100864 1.462601 -0.078686
C 3.012962 -0.785448 0.033297
C 3.194105 0.637164 -0.048150
H -0.858480 -2.094721 0.154150
H 1.577591 -2.398699 0.148529
H -2.546043 1.901413 -0.022687
H 2.227634 2.546197 -0.144870
H 4.196898 1.053638 -0.110973
H 3.946346 -2.633005 0.244848
H 0.614037 3.455828 -0.162907
H -4.562101 -0.953843 -1.874048
H 5.333730 -0.545766 1.178416
H 5.954013 -0.879270 -0.313690


%chk=000294385-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294385

0 1
S -3.527333 -0.841412 0.062337
O -0.312314 3.212278 -0.186492
O -3.746295 -0.932347 -1.783596
O -3.491747 -2.347415 0.653045
O -4.591687 0.235167 0.634816
N 4.144378 -1.641886 0.251839
N 5.481423 -1.231135 0.241106
C 0.588519 -0.466253 0.096365
C 0.767530 0.971256 -0.014503
C -1.799810 -0.123262 0.022091
C -0.739581 -1.011325 0.109450
C -0.398895 1.818922 -0.091441
C 1.729288 -1.315059 0.184290
C -1.690321 1.282859 -0.078036
C 2.106199 1.477243 -0.034129
C 3.037121 -0.788706 0.164866
C 3.212330 0.634495 0.052343
H -0.909502 -2.088533 0.198731
H 1.574590 -2.397908 0.267037
H -2.567255 1.932585 -0.122100
H 2.300370 2.555010 -0.123166
H 4.224458 1.049857 0.033383
H 3.993431 -2.647853 0.328555
H 0.623849 3.527727 -0.155178
H -4.697052 -1.197354 -1.954326
H 5.795125 -0.729176 1.076834
H 5.823181 -0.865371 -0.652319


