%chk=000227832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227832

0 1
S 0.206523 -1.750457 -0.508881
O -0.118335 -2.874901 -1.355958
O 0.323737 -1.919134 0.918775
O -5.018648 -0.562976 0.046301
O -4.849751 1.118929 1.519117
N 1.697260 -1.188581 -1.168561
N -2.316031 1.921748 0.434236
C -0.886464 -0.416137 -0.836296
C -2.142986 -0.529680 0.020826
C -3.017413 0.737957 -0.102873
C 2.541929 -0.200337 -0.595328
C -4.358720 0.497624 0.608521
C 3.634175 0.270305 -1.357704
C 2.290544 0.331553 0.683460
C 4.445378 1.280128 -0.842450
C 3.115734 1.344666 1.174908
C 4.187836 1.827891 0.418959
H -0.405688 0.577832 -0.650370
H -1.158358 -0.362870 -1.912193
H -1.871624 -0.699639 1.088421
H -2.750332 -1.411158 -0.290093
H -3.245226 0.930593 -1.190460
H 2.097803 -1.697850 -1.969247
H -2.038789 1.785768 1.404610
H -2.908130 2.749913 0.401761
H 3.843731 -0.146504 -2.338653
H 1.495436 -0.063006 1.319901
H 5.287708 1.645253 -1.430375
H 2.921591 1.756645 2.165895
H 4.822196 2.617836 0.811542
H -5.898685 -0.747709 0.476909


%chk=000227832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227832

0 1
S 0.263969 -1.696968 -1.222646
O 0.258568 -2.900209 -2.324412
O 0.473946 -2.023546 0.363315
O -5.049874 -0.311139 0.841594
O -3.794435 0.833505 2.430912
N 1.612996 -0.371889 -1.903473
N -1.930635 1.654271 0.394939
C -1.360674 -0.630716 -1.426699
C -2.232035 -0.750673 -0.180608
C -2.930196 0.618034 0.108543
C 2.415459 0.249234 -0.904777
C -3.934685 0.421031 1.260222
C 3.796154 -0.067508 -0.750602
C 1.830665 1.254546 -0.082843
C 4.585973 0.641383 0.177193
C 2.622231 1.935572 0.862207
C 4.001705 1.640049 0.992135
H -0.959091 0.385829 -1.555555
H -1.788154 -1.036468 -2.356290
H -1.599006 -1.013665 0.691370
H -2.990712 -1.542771 -0.293869
H -3.511414 0.913729 -0.784519
H 2.164178 -1.002580 -2.521363
H -1.509960 1.539332 1.326161
H -2.279408 2.610602 0.268867
H 4.241715 -0.860659 -1.364161
H 0.767762 1.497497 -0.201622
H 5.650669 0.404271 0.277937
H 2.168472 2.708063 1.493029
H 4.613681 2.179248 1.723209
H -5.671465 -0.453706 1.606504


