%chk=000202618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202618

0 1
S 5.474553 0.391605 -0.508877
S -2.588552 -2.681964 -0.626534
S -3.540630 0.820923 0.368731
O 6.601738 0.367768 0.747461
O -4.138995 -2.970526 -0.085689
O -5.098610 1.407094 0.035697
O 5.595246 1.661007 -1.157545
O 5.682431 -0.842769 -1.199409
O -2.145494 -3.932105 -1.173428
O -2.623277 -1.511652 -1.473889
O -3.147191 1.517042 1.553021
O -3.764001 -0.619620 0.465524
N 2.991387 1.118321 -0.151858
N -0.363476 -2.124983 0.758676
N -1.602762 2.077022 -0.909016
N 1.348105 -0.497565 0.503606
N 0.739186 1.644627 -0.557502
N -1.003533 0.070594 0.138939
C 4.046605 0.376999 0.546936
C -1.770886 -2.478088 0.964318
C -2.880366 1.391430 -1.173504
C 1.662219 0.741094 -0.028189
C -0.003820 -0.815776 0.497345
C -0.570125 1.246122 -0.455044
H 4.272269 0.800027 1.558707
H 3.715232 -0.676935 0.776277
H -1.852006 -3.422001 1.551979
H -2.324718 -1.715687 1.581050
H -2.767063 0.502556 -1.878074
H -3.591325 2.082772 -1.688681
H 3.190555 2.104633 -0.377987
H 0.338134 -2.759013 1.144044
H -1.352377 2.832277 -1.550674
H 7.479906 0.012186 0.548995
H -4.710125 -2.167120 0.021849
H -5.734432 1.423808 0.759644


%chk=000202618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202618

0 1
S 5.067200 -0.351049 -0.457056
S -2.407299 -2.906899 -0.896546
S -3.795096 1.067215 0.288461
O 5.673416 1.425738 -0.767632
O -4.166226 -2.948058 -0.393377
O -5.232162 1.925858 -0.543337
O 4.022107 -0.728918 -1.637221
O 6.332145 -1.315133 -0.158716
O -2.017319 -4.412911 -1.316466
O -2.176139 -1.703015 -1.971828
O -3.314131 1.918354 1.576790
O -4.284176 -0.468848 0.605571
N 3.040898 1.226857 0.793776
N -0.284258 -2.128854 1.035883
N -1.285093 1.965435 -0.925073
N 1.443218 -0.513835 0.913783
N 0.906432 1.669826 -0.050899
N -0.811480 -0.025483 0.175868
C 4.079200 0.415716 1.236937
C -1.644654 -2.493810 1.000954
C -2.441535 1.395415 -1.416529
C 1.750166 0.765003 0.544354
C 0.137017 -0.852747 0.700287
C -0.352863 1.183641 -0.224103
H 4.931440 0.948833 1.671337
H 3.755564 -0.502616 1.738825
H -1.849807 -3.462799 1.473988
H -2.339993 -1.687499 1.271109
H -2.384065 0.328177 -1.692427
H -3.090340 2.056770 -2.001906
H 3.255177 2.158306 0.423083
H 0.443219 -2.817017 1.243323
H -1.114169 2.973275 -0.969009
H 6.169210 1.448540 -1.634215
H -4.399281 -1.984542 -0.127078
H -6.052518 1.805178 0.015987


