%chk=000208313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208313

1 1
S -0.032468 1.371707 0.825610
O -0.928565 0.380120 1.763510
O 0.230851 2.633286 1.409208
O -1.830952 -1.322936 0.614733
N -1.200444 1.449508 -0.396930
N -3.211692 -1.322858 2.992853
N -3.268686 -2.253041 3.618769
C -2.550384 1.007685 0.074855
C 1.302564 0.540408 0.304705
C -3.376722 0.453344 -1.071355
C -2.222098 -0.080964 1.150407
C 2.493414 1.233420 -0.019555
C 1.292431 -0.870428 0.218772
C 3.599177 -0.866365 -0.543722
C 3.616811 0.543615 -0.442036
C 2.417920 -1.560043 -0.203257
C 4.809519 -1.597995 -0.982131
C -3.163827 -0.237106 2.252422
H -3.107009 1.860486 0.557628
H -1.217064 2.154162 -1.145009
H -2.869129 -0.350330 -1.624934
H -4.340046 0.052653 -0.711710
H -3.626326 1.229768 -1.812403
H 2.533744 2.326754 0.070963
H 0.386416 -1.429056 0.502818
H 4.532040 1.089615 -0.691246
H 2.397505 -2.652260 -0.263232
H 4.608658 -2.628527 -1.316680
H 5.337890 -1.097155 -1.811447
H 5.546926 -1.680689 -0.160645
H -3.797912 0.617221 2.517469
H -1.911243 -1.366293 -0.374330


%chk=000208313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208313

1 1
S -0.026788 1.459562 0.688555
O -1.152242 0.421016 1.920524
O 0.315120 3.022241 0.948020
O -2.042302 -1.348297 0.475967
N -1.361940 1.151115 -0.601512
N -3.365386 -1.581414 2.776727
N -3.500540 -2.669945 3.192225
C -2.679166 1.021238 0.116693
C 1.484637 0.499789 0.188431
C -3.779381 0.689889 -0.906717
C -2.358154 -0.120111 1.118229
C 2.618377 1.250072 -0.185513
C 1.448693 -0.905801 0.271013
C 3.795556 -0.900000 -0.507589
C 3.770971 0.523556 -0.544622
C 2.623048 -1.594965 -0.093681
C 5.056003 -1.655155 -0.862615
C -3.246418 -0.350840 2.282181
H -2.948672 1.934721 0.683135
H -1.318512 1.900604 -1.317940
H -3.528005 -0.194007 -1.516313
H -4.724518 0.485738 -0.374282
H -3.952783 1.544530 -1.582343
H 2.606646 2.344411 -0.196128
H 0.567724 -1.444534 0.634864
H 4.666298 1.072451 -0.855258
H 2.632468 -2.688631 -0.042125
H 4.845482 -2.699966 -1.143183
H 5.598370 -1.173506 -1.694090
H 5.747687 -1.679314 0.001935
H -3.689299 0.468469 2.849130
H -1.651673 -1.155208 -0.419618


