%chk=000267916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267916

0 1
S 0.464815 1.433070 0.001713
O 0.422663 2.131863 1.263804
O 0.424873 2.134331 -1.259081
O -2.599509 2.139022 -0.000116
O -4.036971 -2.235153 -0.005850
N -0.739524 -0.935637 -0.001777
N -3.370165 -0.001962 -0.002950
N -1.769085 -1.785545 -0.003523
C 1.824311 0.365409 0.001865
C -0.965405 0.347785 -0.000606
C 2.385003 -0.050149 -1.210323
C 2.382792 -0.052619 1.214225
C -2.298782 0.976425 -0.001058
C 3.495534 -0.899150 -1.211138
C 3.493320 -0.901623 1.215335
C 4.047176 -1.325516 0.002169
C -3.169687 -1.394476 -0.004254
H 1.963634 0.297795 -2.160276
H 1.959693 0.293392 2.164115
H 3.933478 -1.222416 -2.154494
H 3.929543 -1.226812 2.158827
H -4.343501 0.340594 -0.003387
H 4.914870 -1.986933 0.002287
H -1.537378 -2.792095 -0.004406


%chk=000267916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267916

0 1
S 0.467121 1.516958 0.001926
O 0.456514 2.292748 1.435247
O 0.458770 2.295408 -1.429968
O -2.684075 2.181927 -0.000508
O -4.202456 -2.275814 -0.006684
N -0.832086 -0.953164 -0.001583
N -3.446872 -0.038838 -0.003087
N -1.904695 -1.812362 -0.003427
C 1.933171 0.308864 0.001964
C -1.077877 0.331454 -0.000416
C 2.463302 -0.072169 -1.239405
C 2.461238 -0.074626 1.243456
C -2.424025 0.959397 -0.000858
C 3.597018 -0.918146 -1.227848
C 3.594968 -0.920587 1.232106
C 4.153213 -1.343570 0.002172
C -3.273872 -1.437472 -0.004106
H 2.026196 0.299595 -2.171872
H 2.022598 0.295301 2.175933
H 4.045468 -1.236546 -2.174502
H 4.041842 -1.240867 2.178872
H -4.417339 0.296417 -0.004076
H 5.033500 -1.995499 0.002260
H -1.679924 -2.808811 -0.004498


