%chk=000226073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226073

0 1
S -0.336813 0.842507 2.230898
O 0.327895 0.617015 3.488494
O -0.491627 2.173406 1.686542
O 2.556745 1.347725 -2.569431
O 5.345263 -1.739109 -0.545537
N 3.016116 -1.420451 -0.371912
N 4.226714 -0.062178 -1.768428
N -1.942955 0.196239 2.417527
N -3.001600 0.829868 1.712158
C 2.053638 -0.390388 -0.862142
C 1.460030 0.496506 0.239821
C 0.349487 -0.218258 0.999690
C 2.905829 0.448903 -1.853905
C 4.334771 -1.150217 -0.830626
C -3.303789 0.192812 0.450017
C -3.765603 1.000344 -0.609143
C -3.258326 -1.205774 0.306660
C -4.194099 0.399257 -1.792977
C -3.684251 -1.786993 -0.888986
C -4.150648 -0.991554 -1.940208
H 1.241182 -0.912296 -1.437107
H 1.061374 1.432984 -0.229252
H 2.262866 0.835174 0.930812
H -0.438076 -0.569127 0.290621
H 0.722557 -1.159832 1.456059
H 2.871030 -1.839309 0.541200
H 5.012100 0.267377 -2.324643
H -2.275171 -0.028233 3.376647
H -2.845927 1.856233 1.608421
H -3.799961 2.083529 -0.508067
H -2.917765 -1.828789 1.131936
H -4.560716 1.020859 -2.610240
H -3.658343 -2.870955 -0.999502
H -4.483227 -1.451977 -2.867797


%chk=000226073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226073

0 1
S 0.460930 -2.761816 1.532057
O 0.226675 -1.527775 2.640251
O -0.828002 -2.572091 0.312921
O 1.360685 1.718999 -1.951054
O 5.417523 2.150878 0.424678
N 4.031812 0.273848 -0.068805
N 3.385523 2.278154 -0.838206
N -1.958400 0.040585 2.070255
N -2.275698 -0.590786 0.993576
C 2.777332 0.002370 -0.790265
C 1.642086 -0.619929 0.060579
C 1.931408 -2.066984 0.450458
C 2.381501 1.419384 -1.290347
C 4.410711 1.611568 -0.087345
C -3.422462 -0.173102 0.238486
C -3.713303 -0.932212 -0.923049
C -4.228299 0.932992 0.615897
C -4.825338 -0.580469 -1.716638
C -5.333547 1.273718 -0.184598
C -5.634243 0.520283 -1.349353
H 2.958648 -0.633585 -1.680947
H 0.716319 -0.579082 -0.543952
H 1.488200 -0.014186 0.973144
H 1.977366 -2.759140 -0.407340
H 2.812994 -2.187567 1.105214
H 4.605317 -0.426901 0.395372
H 3.404911 3.285387 -0.998916
H -1.073819 -0.448810 2.460039
H -1.495269 -1.691390 0.575286
H -3.071942 -1.781101 -1.186708
H -3.970098 1.494457 1.518955
H -5.059289 -1.159241 -2.615911
H -5.964902 2.125100 0.090986
H -6.496629 0.793742 -1.967120


