%chk=000118341.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118341

1 1
S 2.231886 0.621210 -0.353794
O 1.652978 -0.449546 0.811987
O 1.380781 -0.181578 -1.599619
O 1.452404 1.832653 -0.164197
N -1.821282 -0.027982 -0.007117
C -0.683646 -0.936246 0.456406
C -1.298739 1.099378 -0.862694
C -2.783362 -0.860983 -0.832158
C -2.562759 0.537965 1.183333
C 0.357950 -0.268542 1.371093
H -1.113857 -1.830462 0.964060
H -0.140529 -1.336737 -0.448453
H -0.658822 0.719273 -1.690384
H -2.110843 1.700171 -1.304502
H -0.643544 1.800941 -0.292503
H -3.210900 -1.698279 -0.250382
H -3.632377 -0.256097 -1.204205
H -2.284587 -1.294085 -1.721136
H -2.938754 -0.258611 1.851490
H -1.919254 1.204168 1.789822
H -3.435427 1.143845 0.870829
H 0.165239 0.806096 1.564670
H 0.442640 -0.803397 2.344957
H 1.858104 -0.271454 -2.440203


%chk=000118341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118341

1 1
S 2.461819 0.609674 -0.274450
O 1.705461 -0.648647 0.918860
O 1.652273 -0.048898 -1.825175
O 1.591719 1.934546 -0.031835
N -1.886145 -0.018836 -0.004117
C -0.693383 -0.923277 0.396533
C -1.422969 1.142155 -0.892818
C -2.869986 -0.878151 -0.802571
C -2.595708 0.522579 1.235380
C 0.351349 -0.272511 1.341163
H -1.137469 -1.822757 0.855135
H -0.191373 -1.207299 -0.542885
H -0.940214 0.730136 -1.791900
H -2.305301 1.741687 -1.164522
H -0.687870 1.761135 -0.358458
H -3.256875 -1.682817 -0.158765
H -3.700661 -0.244215 -1.148300
H -2.346012 -1.309086 -1.668994
H -2.880077 -0.318518 1.886688
H -1.926327 1.207804 1.774928
H -3.497168 1.069461 0.919646
H 0.266275 0.835106 1.378776
H 0.278569 -0.657102 2.371924
H 2.333374 -0.530468 -2.376941


