%chk=000117802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117802

0 1
S 1.849295 -0.459722 -0.806546
O 1.891988 -1.556336 -1.756707
O 2.480145 0.820571 -1.147401
O 4.153266 0.861360 0.900786
N -3.818363 0.675617 0.521895
N -4.806918 -0.313347 0.781355
C 2.607350 -1.015963 0.685132
C 0.209925 -0.156120 -0.381085
C 3.098300 0.156339 1.537060
C -0.182129 1.118268 0.056045
C -0.753074 -1.161266 -0.524946
C -2.471136 0.348407 0.271462
C -1.501582 1.376903 0.398997
C -2.084650 -0.930761 -0.192468
H 1.952320 -1.677387 1.279242
H 3.483659 -1.664684 0.448356
H 2.278390 0.856486 1.784981
H 3.569081 -0.203847 2.474644
H 0.561327 1.923081 0.122150
H -0.459277 -2.145150 -0.913256
H -1.792753 2.368830 0.736650
H -2.812065 -1.724454 -0.327098
H -4.003312 1.503976 1.106279
H 3.852232 1.261721 0.024276
H -4.413994 -1.159309 1.211416
H -5.219525 -0.601814 -0.116617


%chk=000117802-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117802

0 1
S 1.905426 -0.487353 -0.879352
O 1.901008 -1.730263 -1.941893
O 2.567219 0.989050 -1.247750
O 4.189147 1.005493 1.001381
N -3.847953 0.632182 0.692382
N -4.906600 -0.283773 0.636553
C 2.866504 -1.076058 0.714539
C 0.139587 -0.154873 -0.353710
C 3.193668 0.131624 1.600456
C -0.217300 1.148931 0.043518
C -0.793808 -1.202095 -0.449584
C -2.526802 0.352870 0.336399
C -1.552960 1.399357 0.394522
C -2.132993 -0.949420 -0.097327
H 2.197606 -1.822615 1.173772
H 3.767693 -1.542170 0.284189
H 2.262283 0.677629 1.871166
H 3.641054 -0.244971 2.538570
H 0.530680 1.948759 0.039518
H -0.483578 -2.184063 -0.823303
H -1.854997 2.407087 0.703259
H -2.875704 -1.749501 -0.167293
H -4.101869 1.578207 0.977549
H 3.834938 1.273697 0.098213
H -4.866355 -1.030895 1.336813
H -5.167394 -0.585436 -0.307984


