%chk=000229192.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229192

0 1
S 0.150472 -2.207991 1.205933
O -0.422893 -3.192209 0.329255
O 0.653117 -2.609332 2.503288
O 5.438476 1.112901 -1.076847
O 4.197989 1.170756 -2.849178
N -1.569555 -0.405856 0.508465
N -1.021269 -0.996894 1.620838
N 4.419338 0.853753 -1.693104
C -3.072756 0.944810 -0.777237
C -3.345166 2.450353 -0.582372
C -4.283153 2.739021 0.595648
C -3.745996 2.124769 1.894250
C -3.523729 0.612894 1.741877
C -2.648286 0.321823 0.549799
C -4.286625 0.195699 -1.334686
C 1.384597 -1.318071 0.359091
C 2.569082 -0.992191 1.025623
C 1.182520 -0.944516 -0.971128
C 3.571118 -0.281922 0.358202
C 2.176281 -0.232208 -1.652391
C 3.358005 0.090461 -0.975433
H -2.234252 0.841999 -1.516580
H -3.770372 2.871124 -1.513214
H -2.380659 2.972479 -0.424240
H -5.293741 2.341814 0.379026
H -4.405719 3.831998 0.718230
H -4.448754 2.317596 2.726604
H -2.792805 2.614047 2.176534
H -4.498431 0.097822 1.601465
H -3.101105 0.204002 2.679874
H -5.165905 0.298297 -0.689115
H -4.563170 0.574426 -2.325080
H -4.076561 -0.876236 -1.440074
H -1.544074 -1.034250 2.509179
H 2.718778 -1.294874 2.071251
H 0.247659 -1.201807 -1.486239
H 4.507526 -0.017385 0.861617
H 2.037916 0.070700 -2.696029


%chk=000229192-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229192

0 1
S 0.131078 -2.374398 0.923899
O -0.491794 -3.274299 -0.279267
O 0.616652 -3.020261 2.336315
O 5.631532 1.330110 -0.641216
O 4.710802 1.118733 -2.717487
N -1.698927 -0.401381 0.380224
N -1.040114 -0.914616 1.491367
N 4.719855 0.901252 -1.446332
C -3.392624 0.885591 -0.778382
C -3.603373 2.426068 -0.670006
C -4.344417 2.836430 0.624346
C -3.604759 2.311759 1.875878
C -3.412773 0.766655 1.822638
C -2.771304 0.352663 0.506537
C -4.714792 0.133087 -1.102939
C 1.538185 -1.353286 0.194977
C 2.535872 -0.892534 1.069502
C 1.533355 -1.124419 -1.190294
C 3.598051 -0.144976 0.521639
C 2.595115 -0.373989 -1.736762
C 3.601266 0.103991 -0.868953
H -2.676902 0.675044 -1.594487
H -4.158269 2.778783 -1.560748
H -2.613168 2.924366 -0.687738
H -5.381121 2.445071 0.612421
H -4.425827 3.938923 0.674337
H -4.158633 2.577175 2.795976
H -2.609671 2.794175 1.943793
H -4.406741 0.282626 1.912867
H -2.806177 0.441937 2.688328
H -5.482547 0.275568 -0.321292
H -5.133455 0.503788 -2.056520
H -4.530623 -0.950673 -1.207737
H -1.622223 -1.358564 2.239073
H 2.488122 -1.127412 2.137220
H 0.733504 -1.533176 -1.814439
H 4.409910 0.242498 1.141925
H 2.654834 -0.154506 -2.805561


