%chk=000202963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202963

0 1
S 2.230467 -0.750786 -1.825801
P 2.499135 -0.099285 -0.066028
O 1.777250 1.437043 0.339365
O 2.385472 -1.019135 1.281876
O 4.009679 0.466749 0.279987
N 0.099573 -0.018654 0.112367
N -1.809194 2.066938 0.457987
C -1.259552 -0.306298 0.034197
C -2.208515 0.753784 0.216902
C 0.436886 1.264928 0.324563
C -1.714500 -1.632950 -0.228427
C -3.605797 0.454995 0.147482
C -0.515747 2.337404 0.508642
C -3.064452 -1.879056 -0.290794
C -4.014436 -0.832535 -0.097865
C 1.950908 -2.390370 1.076758
C 4.581423 1.376639 -0.692157
H -0.973436 -2.416720 -0.391607
H -4.317461 1.271235 0.291405
H -0.173620 3.362159 0.691539
H -3.433955 -2.885701 -0.494424
H -5.075712 -1.075928 -0.154005
H 1.932974 -2.766185 2.111629
H 2.682155 -2.951232 0.481534
H 0.944792 -2.436998 0.638820
H 5.576512 1.568332 -0.262081
H 4.006770 2.309664 -0.739553
H 4.684279 0.904562 -1.678511


%chk=000202963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202963

0 1
S 2.839964 -0.904369 -2.051487
P 2.881910 -0.165507 -0.134068
O 1.728399 1.174355 0.228993
O 2.802286 -1.226945 1.206625
O 4.271603 0.689789 0.390803
N -0.121098 -0.282944 0.098398
N -1.815186 2.031299 0.220455
C -1.505714 -0.419262 0.055790
C -2.359732 0.750426 0.119913
C 0.362002 0.959227 0.183728
C -2.096196 -1.712960 -0.051340
C -3.776749 0.593815 0.078295
C -0.480780 2.131667 0.247465
C -3.489496 -1.839079 -0.090493
C -4.333436 -0.685298 -0.024427
C 2.181751 -2.561844 1.019451
C 4.800833 1.760681 -0.486674
H -1.438900 -2.585942 -0.110547
H -4.394784 1.495468 0.127948
H -0.030412 3.125389 0.323220
H -3.942912 -2.832623 -0.175091
H -5.420820 -0.809788 -0.056882
H 2.370641 -3.073306 1.974395
H 2.663454 -3.099570 0.183687
H 1.101689 -2.443854 0.832205
H 5.766227 2.029425 -0.034555
H 4.118353 2.627981 -0.485610
H 4.949002 1.386369 -1.516395


