%chk=000217650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217650

0 1
S -3.257899 -0.370939 0.000271
O 0.974105 2.450526 0.003248
O 2.839254 -1.784991 -0.002804
N 0.598156 -1.084965 -0.002097
N 2.232259 0.497852 0.000523
C -0.146637 0.208048 0.000175
C -0.967349 0.398349 -1.287281
C -0.966570 0.394390 1.288740
C -2.129717 -0.569828 -1.408187
C -2.128819 -0.574207 1.407387
C 1.030266 1.250084 0.001571
C 1.993046 -0.925346 -0.001729
H -0.304945 0.294173 -2.174492
H -1.336730 1.450282 -1.318368
H -1.335996 1.446198 1.323238
H -0.303631 0.287552 2.175219
H -2.726017 -0.363827 -2.321501
H -1.790774 -1.618646 -1.486898
H -1.789799 -1.623254 1.482606
H -2.724533 -0.371082 2.321723
H 0.131784 -1.978764 -0.002944
H 3.167648 0.895894 0.000898


%chk=000217650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217650

0 1
S -3.387823 -0.383975 0.000306
O 0.949522 2.485286 0.004154
O 2.885683 -1.818261 -0.003229
N 0.620627 -1.070293 -0.002045
N 2.232562 0.486118 0.000468
C -0.117352 0.213614 0.000104
C -0.966606 0.415365 -1.291242
C -0.965773 0.411558 1.292604
C -2.142577 -0.567145 -1.412521
C -2.141661 -0.571292 1.411783
C 1.055112 1.236194 0.001229
C 2.002491 -0.929517 -0.002279
H -0.303309 0.296129 -2.170703
H -1.340755 1.455143 -1.290772
H -1.339952 1.451320 1.295407
H -0.301909 0.289750 2.171281
H -2.721841 -0.366786 -2.328760
H -1.801112 -1.617956 -1.447658
H -1.800194 -1.622208 1.443637
H -2.720324 -0.373605 2.328981
H 0.188431 -1.991720 -0.003041
H 3.173861 0.879782 0.001593


