non-spherical Matrixelements x Gaunt-Coefficient (d=du/dE): l0 ll lp m0 mm mp uVu dVd uVd dVu 1 .Atom 0 4 4 0 0 0 0.166151195021E-01 0.000000000000E+00 0.466883650090E-04 0.000000000000E+00 -0.640885933075E-03 0.000000000000E+00-0.300673247392E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0 4 4 0 4 -4 0.992943308821E-02 0.000000000000E+00 0.279016347909E-04 0.000000000000E+00 -0.383002601265E-03 0.000000000000E+00-0.179686633672E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0 4 4 0 4 4 0.992943308821E-02 0.000000000000E+00 0.279016347909E-04 0.000000000000E+00 -0.383002601265E-03 0.000000000000E+00-0.179686633672E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 -1 0 -1 0.886722066475E-02 0.000000000000E+00 0.277954697838E-04 0.000000000000E+00 -0.627273637796E-03 0.000000000000E+00-0.108314885695E-02 0.000000000000E+00 -0.733524702806E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.210104313372E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 0 0 0-0.144801107102E-01 0.000000000000E+00-0.453898120874E-04 0.000000000000E+00 0.102433356113E-02 0.000000000000E+00 0.176877467667E-02 0.000000000000E+00 0.119784082373E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -0.343098907013E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 1 0 1 0.886722066475E-02 0.000000000000E+00 0.277954697838E-04 0.000000000000E+00 -0.627273637796E-03 0.000000000000E+00-0.108314885695E-02 0.000000000000E+00 -0.733524702806E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.210104313372E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 1 4 -3 0.114475326539E-01 0.000000000000E+00 0.358837971908E-04 0.000000000000E+00 -0.809806784232E-03 0.000000000000E+00-0.139833916147E-02 0.000000000000E+00 -0.946976319333E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.271243502219E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 -1 4 3 0.114475326539E-01 0.000000000000E+00 0.358837971908E-04 0.000000000000E+00 -0.809806784232E-03 0.000000000000E+00-0.139833916147E-02 0.000000000000E+00 -0.946976319333E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.271243502219E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 2 -2 0 -2-0.841898443625E-03 0.000000000000E+00-0.151035511622E-02 0.000000000000E+00 0.523295187561E-04 0.000000000000E+00 0.523295187561E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 2 -1 0 -1 0.336759377450E-02 0.000000000000E+00 0.604142046486E-02 0.000000000000E+00 -0.209318075024E-03 0.000000000000E+00-0.209318075024E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 2 0 0 0-0.505139066175E-02 0.000000000000E+00-0.906213069730E-02 0.000000000000E+00 0.313977112536E-03 0.000000000000E+00 0.313977112536E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 2 1 0 1 0.336759377450E-02 0.000000000000E+00 0.604142046486E-02 0.000000000000E+00 -0.209318075024E-03 0.000000000000E+00-0.209318075024E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 2 2 0 2-0.841898443625E-03 0.000000000000E+00-0.151035511622E-02 0.000000000000E+00 0.523295187561E-04 0.000000000000E+00 0.523295187561E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 2 2 4 -2-0.420949221812E-02 0.000000000000E+00-0.755177558108E-02 0.000000000000E+00 0.261647593780E-03 0.000000000000E+00 0.261647593780E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 2 -2 4 2-0.420949221812E-02 0.000000000000E+00-0.755177558108E-02 0.000000000000E+00 0.261647593780E-03 0.000000000000E+00 0.261647593780E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 4 -2 0 -2 0.332759364399E-02 0.000000000000E+00 0.332496851561E-03 0.000000000000E+00 -0.160155341132E-03 0.000000000000E+00-0.112008950131E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 4 -1 0 -1-0.784321343566E-03 0.000000000000E+00-0.783702594873E-04 0.000000000000E+00 0.377489759192E-04 0.000000000000E+00 0.264007627304E-02 0.000000000000E+00 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-0.160155341132E-03 0.000000000000E+00-0.112008950131E-01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 4 0 4 -4 0.239614128404E-02 0.000000000000E+00 0.239425097556E-03 0.000000000000E+00 -0.115325026371E-03 0.000000000000E+00-0.806556624110E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 4 1 4 -3 0.207511922303E-02 0.000000000000E+00 0.207348216787E-03 0.000000000000E+00 -0.998744025296E-04 0.000000000000E+00-0.698498526070E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 4 2 4 -2 0.110919788133E-02 0.000000000000E+00 0.110832283854E-03 0.000000000000E+00 -0.533851137106E-04 0.000000000000E+00-0.373363167103E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 4 -2 4 2 0.110919788133E-02 0.000000000000E+00 0.110832283854E-03 0.000000000000E+00 -0.533851137106E-04 0.000000000000E+00-0.373363167103E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 4 -1 4 3 0.207511922303E-02 0.000000000000E+00 0.207348216787E-03 0.000000000000E+00 -0.998744025296E-04 0.000000000000E+00-0.698498526070E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 4 0 4 4 0.239614128404E-02 0.000000000000E+00 0.239425097556E-03 0.000000000000E+00 -0.115325026371E-03 0.000000000000E+00-0.806556624110E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 6 4 -2 0 -2-0.230004691263E-03 0.000000000000E+00-0.829324586221E-05 0.000000000000E+00 0.450523424229E-05 0.000000000000E+00 0.595798226214E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 6 4 -1 0 -1 0.650551507588E-03 0.000000000000E+00 0.234568415489E-04 0.000000000000E+00 -0.127427267342E-04 0.000000000000E+00-0.168517186390E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 6 4 0 0 0-0.890804338812E-03 0.000000000000E+00-0.321196031103E-04 0.000000000000E+00 0.174486971911E-04 0.000000000000E+00 0.230751660783E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 6 4 1 0 1 0.650551507588E-03 0.000000000000E+00 0.234568415489E-04 0.000000000000E+00 -0.127427267342E-04 0.000000000000E+00-0.168517186390E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 6 4 2 0 2-0.230004691263E-03 0.000000000000E+00-0.829324586221E-05 0.000000000000E+00 0.450523424229E-05 0.000000000000E+00 0.595798226214E-03 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0.000000000000E+00 -0.315366396960E-04 0.000000000000E+00-0.417058758350E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 6 4 -2 4 2 0.161003283884E-02 0.000000000000E+00 0.580527210355E-04 0.000000000000E+00 -0.315366396960E-04 0.000000000000E+00-0.417058758350E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 6 4 -1 4 3-0.172119750412E-02 0.000000000000E+00-0.620609692813E-04 0.000000000000E+00 0.337140859636E-04 0.000000000000E+00 0.445854566828E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 6 4 0 4 4 0.745300381747E-03 0.000000000000E+00 0.268731879906E-04 0.000000000000E+00 -0.145986274549E-04 0.000000000000E+00-0.193060690633E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3 4 1 -1 0 -1 0.886722066475E-02 0.000000000000E+00 0.277954697838E-04 0.000000000000E+00 -0.108314885695E-02 0.000000000000E+00-0.627273637796E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.733524702806E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.210104313372E-04 0.000000000000E+00 3 4 1 0 0 0-0.144801107102E-01 0.000000000000E+00-0.453898120874E-04 0.000000000000E+00 0.176877467667E-02 0.000000000000E+00 0.102433356113E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.119784082373E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.343098907013E-04 0.000000000000E+00 3 4 1 1 0 1 0.886722066475E-02 0.000000000000E+00 0.277954697838E-04 0.000000000000E+00 -0.108314885695E-02 0.000000000000E+00-0.627273637796E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.733524702806E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.210104313372E-04 0.000000000000E+00 3 4 1 3 4 -1 0.114475326539E-01 0.000000000000E+00 0.358837971908E-04 0.000000000000E+00 -0.139833916147E-02 0.000000000000E+00-0.809806784232E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.946976319333E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.271243502219E-04 0.000000000000E+00 3 4 1 -3 4 1 0.114475326539E-01 0.000000000000E+00 0.358837971908E-04 0.000000000000E+00 -0.139833916147E-02 0.000000000000E+00-0.809806784232E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.946976319333E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.271243502219E-04 0.000000000000E+00 3 4 3 -3 0 -3-0.595642243825E-02 0.000000000000E+00-0.933785399279E-05 0.000000000000E+00 0.345911300263E-03 0.000000000000E+00 0.345911300263E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3 4 3 -2 0 -2 0.138983190226E-01 0.000000000000E+00 0.217883259832E-04 0.000000000000E+00 -0.807126367280E-03 0.000000000000E+00-0.807126367280E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 3 4 3 -1 0 -1-0.198547414608E-02 0.000000000000E+00-0.311261799760E-05 0.000000000000E+00 0.115303766754E-03 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