Se24 ************************ 24e-GRECP for Se by N.S.Mosyagin from 01.06.14 Pseudospinors from the 4s^2 4p^3 state 24.00000000 1 2 1 1 1 3 3 1 4 1 3S1/2 9.850706774042491 -1.748273311878191 8.428657847809475 1.567929332911562 2.632382159544252 0.8264658553233803 1.136875582206371 0.2147606219788534 5 2 3P1/2 3P3/2 93.56156547233728 0.7238662145192420E-002 0.5462189009728135E-002 22.68033131796304 0.5114103224502915E-001 0.5594299190875957E-001 5.850191085134455 -0.4751420224003797 -0.4507654084273056 2.492101255094224 -0.5128911715938491 -0.5297927798495967 1.015597325730306 -0.1226101600275721 -0.1324489457925471 10 1 0 0.00 30.0 4S-AREP 3S1/2 0 183.7014717824467 3.000000000000000 0.000000000000000 0.000000000000000 1 49.70482838605905 134.2915699812933 0.000000000000000 0.000000000000000 1 34.93230019225344 -84.37204173193190 0.000000000000000 0.000000000000000 2 20.64216740900219 367.6924161989345 0.000000000000000 0.000000000000000 2 15.30310624199598 -65.23140754619979 0.000000000000000 0.000000000000000 2 3.436679969074153 -0.2994918486991901 0.000000000000000 0.000000000000000 1 10.71717832148720 0.000000000000000 0.000000000000000 -2.178438916818357 2 6.260590936904268 0.000000000000000 0.000000000000000 10.24132697700142 2 4.506087127083593 0.000000000000000 0.000000000000000 -7.970755158260197 2 3.220076051616865 0.000000000000000 0.000000000000000 2.379013076423286 9 2 0 0.00 30.0 0.00 30.0 4P-AREP 4P-ESOP 3P1/2 3P3/2 0 61.15604253801784 2.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1 11.87741594454157 50.41342947143130 -0.3867074270965531 0.000000000000000 0.000000000000000 1 8.687571433425637 -25.56073765417386 0.9981336443161126 0.000000000000000 0.000000000000000 2 4.734249404573147 6.814422231007484 -0.4182161481876392 0.000000000000000 0.000000000000000 2 3.366445169269245 -2.071799531939178 0.1345980473925010 0.000000000000000 0.000000000000000 1 2.808321197457754 0.000000000000000 0.000000000000000 -1.303846166189242 -1.419712993054286 1 2.010544339974682 0.000000000000000 0.000000000000000 0.8242723484708314 0.8720970940088959 2 14.09424774113285 0.000000000000000 0.000000000000000 -10.23563626886317 -12.12695963866865 2 10.33339169082877 0.000000000000000 0.000000000000000 9.686545547308327 11.37693994215331 6 0 0 3D-AREP 3D-ESOP 1 242.3430230044797 -4.122381634075506 3.848280052052559 1 57.15848239557061 -4.761746867507838 0.9469643689879348E-001 2 22.68137446127409 -4.722195872171881 0.1116338261185774 2 7.811562972612895 -0.7739839154255890E-001 0.1158044935547764E-001 2 1.644439124195580 0.5167208239744525E-001 -0.9626425606299449E-003 2 1.130711974416127 -0.8114263091131946E-002 0.3124082555043373E-002 The orbital energies for the closed shell configuration of the +4 cation in a.u. 3s1/2 -11.099954 3p1/2 -8.747445 3p3/2 -8.523053 3d3/2 -4.498577 3d5/2 -4.464713 4s1/2 -2.417874 The total energy -366.42423798