Institute for Theoretical Chemistry, University of Cologne

Pseudopotentials, ECPs

Basis set ECP60MDF_GUESS for Hg, ECP60MDF

!  ECP60MDF_GUESS: Startorbitale fuer ECP60MDF mit Basis ECP60MDF_VTZ
s,Hg,98.3058,19.6406,12.3397,7.74782,4.86291,1.57719,0.752926,0.235112,0.103968,0.0434;
C,1.10,0.0010328107,-0.10638209,0.5320735,-0.52232456,-0.53732071,0.88478836,0.51383347,0.029406513,-0.0061592009,0.0013844833;
C,1.10,-0.00035580567,0.0379092905,-0.200013242,0.224092712,0.179373706,-0.4508337,-0.33905477,0.29341434,0.64462822,0.291626107;
p,Hg,21.4065,13.3929,6.51021,1.82222,0.926507,0.455082,0.19276,0.078689,0.031729;
C,1.9,-0.0128373611,0.086530745,-0.308041126,0.53279411,0.482207,0.154694904,0.0132010363,0.000584552,0.000020010238;
d,Hg,86.9881,11.9913,6.93648,2.08641,1.07664,0.531153,0.248808,0.10817;
C,1.8,0.000058323518,0.012778743,-0.068963323,0.241562825,0.38785801,0.345441154,0.19150859,0.046502156;


 





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