%chk=000214276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214276

0 1
S -2.370995 -1.233283 -0.568484
O 3.049956 -1.662783 0.241051
O 4.038833 0.459689 -0.148033
N -2.394268 1.087507 0.571169
N -3.688990 0.740076 0.499389
N -5.125324 -1.010323 -0.396547
C 2.061279 -0.695171 0.116958
C 2.658354 0.582364 -0.116058
C -0.085844 0.306223 0.027891
C 0.700835 -0.868891 0.196987
C 1.903061 1.722503 -0.272314
C 0.501954 1.557618 -0.194290
C 4.326633 -0.960138 0.082146
C -1.533648 0.205068 0.089151
C -3.904277 -0.461548 -0.078718
H 0.257361 -1.841893 0.392801
H -0.136284 2.439613 -0.304629
H 2.350839 2.698029 -0.443987
H 4.818690 -1.353646 -0.817022
H 4.877605 -1.042846 1.028403
H -5.197050 -2.017312 -0.441721
H -5.945522 -0.553660 -0.005344


%chk=000214276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214276

0 1
S -2.433463 -1.484905 -0.004195
O 3.114678 -1.690736 0.063164
O 4.095775 0.503310 -0.000428
N -2.404139 1.194085 -0.106282
N -3.757176 0.856801 -0.109178
N -5.206354 -1.040445 -0.055034
C 2.106179 -0.696154 0.018559
C 2.684708 0.590781 -0.018749
C -0.098616 0.274341 -0.042847
C 0.727893 -0.893043 0.007604
C 1.898410 1.746416 -0.069147
C 0.493983 1.570815 -0.080415
C 4.405540 -0.952120 0.069229
C -1.558355 0.168826 -0.056876
C -3.958609 -0.469910 -0.061001
H 0.304174 -1.900856 0.036605
H -0.168593 2.439668 -0.118424
H 2.349552 2.741041 -0.098306
H 4.987844 -1.236756 -0.823553
H 4.935469 -1.159997 1.014808
H -5.343649 -2.045045 -0.016336
H -6.012052 -0.418921 -0.090399


