%chk=000227588.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227588

0 1
S -1.249177 1.105765 0.818359
O -1.099610 1.928027 -0.658251
O 3.381070 2.359316 -0.401378
O 0.659709 -1.229822 -1.472409
O -1.630777 2.098247 1.790024
O -0.002594 0.390824 0.997900
N 1.862043 0.761798 -1.187256
C 0.955969 1.672227 -1.913551
C 3.494263 -0.002002 0.297586
C 2.644343 -1.100404 -0.014096
C 2.986100 1.222304 -0.407359
C 1.560236 -0.628021 -0.941140
C 0.136389 2.575191 -0.975313
C 4.574757 -0.150859 1.139972
C 2.869428 -2.351014 0.518659
C -2.549233 0.070818 0.430756
C 4.810855 -1.435218 1.685527
C 3.979150 -2.507231 1.383336
C -2.342244 -1.054521 -0.377978
C -3.833810 0.352712 0.918360
C -4.696287 -1.618982 -0.201233
C -3.408989 -1.896247 -0.691789
C -4.901587 -0.485406 0.608025
C -5.841431 -2.508758 -0.548698
H 0.261891 1.058774 -2.540307
H 1.567103 2.302746 -2.600960
H -0.189276 3.495789 -1.503105
H 0.691908 2.863350 -0.063938
H 5.224991 0.689482 1.384724
H 2.215550 -3.192383 0.290020
H 5.658930 -1.574746 2.357071
H 4.173895 -3.488171 1.818646
H -1.338010 -1.282181 -0.769818
H -3.998046 1.234922 1.549668
H -3.239311 -2.767904 -1.322274
H -5.896012 -0.261661 0.989798
H -5.530938 -3.549410 -0.719014
H -6.613390 -2.529174 0.233373
H -6.331656 -2.165878 -1.474235


%chk=000227588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227588

0 1
S -1.260156 1.281465 0.849001
O -1.071983 1.945544 -0.901873
O 3.474773 2.393244 -0.292341
O 0.688751 -1.142716 -1.664809
O -1.822393 2.437816 1.831836
O 0.130766 0.538664 1.237694
N 1.921942 0.840091 -1.196089
C 1.162554 1.799945 -2.000848
C 3.457484 -0.024557 0.327627
C 2.615205 -1.083748 -0.087615
C 3.017940 1.224719 -0.365775
C 1.612556 -0.541785 -1.057393
C 0.188686 2.666913 -1.176881
C 4.496224 -0.231225 1.246218
C 2.784791 -2.386569 0.400426
C -2.632676 0.076204 0.438455
C 4.676110 -1.546684 1.747824
C 3.833567 -2.608120 1.330903
C -2.349988 -1.009272 -0.406867
C -3.888688 0.318794 1.016292
C -4.700012 -1.718491 -0.112879
C -3.406988 -1.907226 -0.671468
C -4.922341 -0.600048 0.733578
C -5.829118 -2.679030 -0.436328
H 0.598825 1.232851 -2.761334
H 1.882861 2.470729 -2.505445
H -0.117940 3.550536 -1.766619
H 0.668709 3.021909 -0.245655
H 5.137628 0.596764 1.563561
H 2.126335 -3.197890 0.075174
H 5.475033 -1.747015 2.469766
H 3.994830 -3.612537 1.736911
H -1.358233 -1.153645 -0.849773
H -4.045909 1.186692 1.664574
H -3.220844 -2.764413 -1.328301
H -5.912817 -0.442879 1.175244
H -5.452193 -3.697727 -0.631472
H -6.563702 -2.734097 0.385424
H -6.373387 -2.350905 -1.343044


