%chk=000220528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220528

0 1
S -2.228956 0.086088 -0.112635
O -2.463088 1.512488 -0.207332
O -2.723796 -0.815640 -1.115401
O 2.248695 2.281679 0.030876
O 2.357218 -2.306052 0.009589
N 0.240391 1.160636 -0.023339
N 2.329512 -0.034502 0.023921
C -0.437997 -0.049185 -0.069757
C 0.200657 -1.237073 -0.064820
C -2.686866 -0.476246 1.467179
C 1.671206 1.216200 0.005822
C 1.666939 -1.312925 -0.014213
H -0.280296 2.056347 -0.088593
H -0.309156 -2.201074 -0.128959
H -2.233162 0.088039 2.296758
H -3.774454 -0.399981 1.646688
H -2.452328 -1.535907 1.654382
H 3.360383 -0.020493 0.047735


%chk=000220528-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220528

0 1
S -2.258747 0.052318 -0.120051
O -2.441953 1.680425 -0.269585
O -2.866657 -1.019320 -1.181112
O 2.270234 2.346211 0.102083
O 2.525938 -2.335457 -0.131843
N 0.277040 1.102568 0.030834
N 2.353212 -0.004636 0.001099
C -0.330408 -0.127917 -0.048578
C 0.311395 -1.326344 -0.120050
C -2.844546 -0.440081 1.633433
C 1.691280 1.237348 0.046963
C 1.786750 -1.317381 -0.088852
H -0.314615 1.950210 -0.015306
H -0.205205 -2.280711 -0.227577
H -2.314162 0.211672 2.340845
H -3.927931 -0.254687 1.628398
H -2.604207 -1.504040 1.761603
H 3.377485 0.042223 0.015596


