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 0.144698474570E-01 0.000000000000E+00 0.329280062170E-04 0.000000000000E+00 -0.380259578575E-03 0.000000000000E+00-0.178099967632E-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 0.864738782664E-02 0.000000000000E+00 0.196782475395E-04 0.000000000000E+00 -0.227248563643E-03 0.000000000000E+00-0.106435088318E-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 0.864738782664E-02 0.000000000000E+00 0.196782475395E-04 0.000000000000E+00 -0.227248563643E-03 0.000000000000E+00-0.106435088318E-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 0.754104044737E-02 0.000000000000E+00 0.150056048974E-04 0.000000000000E+00 -0.387904916844E-03 0.000000000000E+00-0.509863341633E-03 0.000000000000E+00 -0.976170163797E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.567210679963E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 0 0 0-0.123144674838E-01 0.000000000000E+00-0.245040501870E-04 0.000000000000E+00 0.633446076657E-03 0.000000000000E+00 0.832603350367E-03 0.000000000000E+00 0.159407920229E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -0.926251161711E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 1 0 1 0.754104044737E-02 0.000000000000E+00 0.150056048974E-04 0.000000000000E+00 -0.387904916844E-03 0.000000000000E+00-0.509863341633E-03 0.000000000000E+00 -0.976170163797E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.567210679963E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 1 4 -3 0.973544135525E-02 0.000000000000E+00 0.193721526225E-04 0.000000000000E+00 -0.500783094283E-03 0.000000000000E+00-0.658230743662E-03 0.000000000000E+00 -0.126023026248E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.732265839096E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 -1 4 3 0.973544135525E-02 0.000000000000E+00 0.193721526225E-04 0.000000000000E+00 -0.500783094283E-03 0.000000000000E+00-0.658230743662E-03 0.000000000000E+00 -0.126023026248E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.732265839096E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 2 -2 0 -2-0.264218879832E-03 0.000000000000E+00-0.888206993432E-03 0.000000000000E+00 0.305140712759E-03 0.000000000000E+00 0.305140712759E-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 0.105687551933E-02 0.000000000000E+00 0.355282797373E-02 0.000000000000E+00 -0.122056285104E-02 0.000000000000E+00-0.122056285104E-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 2 0 0 0-0.158531327899E-02 0.000000000000E+00-0.532924196059E-02 0.000000000000E+00 0.183084427656E-02 0.000000000000E+00 0.183084427656E-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 2 1 0 1 0.105687551933E-02 0.000000000000E+00 0.355282797373E-02 0.000000000000E+00 -0.122056285104E-02 0.000000000000E+00-0.122056285104E-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 2 2 0 2-0.264218879832E-03 0.000000000000E+00-0.888206993432E-03 0.000000000000E+00 0.305140712759E-03 0.000000000000E+00 0.305140712759E-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 -2-0.132109439916E-02 0.000000000000E+00-0.444103496716E-02 0.000000000000E+00 0.152570356380E-02 0.000000000000E+00 0.152570356380E-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 2 -2 4 2-0.132109439916E-02 0.000000000000E+00-0.444103496716E-02 0.000000000000E+00 0.152570356380E-02 0.000000000000E+00 0.152570356380E-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 0 -2 0.330180877112E-02 0.000000000000E+00 0.182929889710E-03 0.000000000000E+00 -0.101256369012E-03 0.000000000000E+00-0.766021365728E-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 0 -1-0.778243790746E-03 0.000000000000E+00-0.431169884986E-04 0.000000000000E+00 0.238663550555E-04 0.000000000000E+00 0.180552967413E-02 0.000000000000E+00 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-0.101256369012E-03 0.000000000000E+00-0.766021365728E-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 0.237757405348E-02 0.000000000000E+00 0.131724575689E-03 0.000000000000E+00 -0.729129190697E-04 0.000000000000E+00-0.551598426747E-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 0.205903952969E-02 0.000000000000E+00 0.114076828849E-03 0.000000000000E+00 -0.631444401785E-04 0.000000000000E+00-0.477698250250E-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 0.110060292371E-02 0.000000000000E+00 0.609766299034E-04 0.000000000000E+00 -0.337521230039E-04 0.000000000000E+00-0.255340455243E-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 0.110060292371E-02 0.000000000000E+00 0.609766299034E-04 0.000000000000E+00 -0.337521230039E-04 0.000000000000E+00-0.255340455243E-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 0.205903952969E-02 0.000000000000E+00 0.114076828849E-03 0.000000000000E+00 -0.631444401785E-04 0.000000000000E+00-0.477698250250E-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 0.237757405348E-02 0.000000000000E+00 0.131724575689E-03 0.000000000000E+00 -0.729129190697E-04 0.000000000000E+00-0.551598426747E-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 -2-0.137232141263E-03 0.000000000000E+00-0.380455055900E-05 0.000000000000E+00 0.158699584099E-05 0.000000000000E+00 0.265343111268E-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 0.388151110734E-03 0.000000000000E+00 0.107608939985E-04 0.000000000000E+00 -0.448870208351E-05 0.000000000000E+00-0.750503653276E-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 0 0 0-0.531497797674E-03 0.000000000000E+00-0.147349609548E-04 0.000000000000E+00 0.614640846264E-05 0.000000000000E+00 0.102766945097E-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 0.388151110734E-03 0.000000000000E+00 0.107608939985E-04 0.000000000000E+00 -0.448870208351E-05 0.000000000000E+00-0.750503653276E-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 2 0 2-0.137232141263E-03 0.000000000000E+00-0.380455055900E-05 0.000000000000E+00 0.158699584099E-05 0.000000000000E+00 0.265343111268E-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 0 4 -4 0.444682961505E-03 0.000000000000E+00 0.123281528234E-04 0.000000000000E+00 -0.514245426745E-05 0.000000000000E+00-0.859809950119E-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 4 -3-0.102695131012E-02 0.000000000000E+00-0.284706494049E-04 0.000000000000E+00 0.118759894224E-04 0.000000000000E+00 0.198564602461E-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 0.960624988838E-03 0.000000000000E+00 0.266318539130E-04 0.000000000000E+00 -0.111089708869E-04 0.000000000000E+00-0.185740177888E-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 0.960624988838E-03 0.000000000000E+00 0.266318539130E-04 0.000000000000E+00 -0.111089708869E-04 0.000000000000E+00-0.185740177888E-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 3-0.102695131012E-02 0.000000000000E+00-0.284706494049E-04 0.000000000000E+00 0.118759894224E-04 0.000000000000E+00 0.198564602461E-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 0.444682961505E-03 0.000000000000E+00 0.123281528234E-04 0.000000000000E+00 -0.514245426745E-05 0.000000000000E+00-0.859809950119E-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 1 -1 0 -1 0.754104044737E-02 0.000000000000E+00 0.150056048974E-04 0.000000000000E+00 -0.509863341633E-03 0.000000000000E+00-0.387904916844E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.976170163797E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.567210679963E-04 0.000000000000E+00 3 4 1 0 0 0-0.123144674838E-01 0.000000000000E+00-0.245040501870E-04 0.000000000000E+00 0.832603350367E-03 0.000000000000E+00 0.633446076657E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.159407920229E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.926251161711E-04 0.000000000000E+00 3 4 1 1 0 1 0.754104044737E-02 0.000000000000E+00 0.150056048974E-04 0.000000000000E+00 -0.509863341633E-03 0.000000000000E+00-0.387904916844E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.976170163797E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.567210679963E-04 0.000000000000E+00 3 4 1 3 4 -1 0.973544135525E-02 0.000000000000E+00 0.193721526225E-04 0.000000000000E+00 -0.658230743662E-03 0.000000000000E+00-0.500783094283E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.126023026248E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.732265839096E-04 0.000000000000E+00 3 4 1 -3 4 1 0.973544135525E-02 0.000000000000E+00 0.193721526225E-04 0.000000000000E+00 -0.658230743662E-03 0.000000000000E+00-0.500783094283E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.126023026248E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.732265839096E-04 0.000000000000E+00 3 4 3 -3 0 -3-0.467835437917E-02 0.000000000000E+00-0.848689585927E-05 0.000000000000E+00 0.228593076513E-03 0.000000000000E+00 0.228593076513E-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 0.109161602181E-01 0.000000000000E+00 0.198027570050E-04 0.000000000000E+00 -0.533383845196E-03 0.000000000000E+00-0.533383845196E-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 -1-0.155945145972E-02 0.000000000000E+00-0.282896528642E-05 0.000000000000E+00 0.761976921708E-04 0.000000000000E+00 0.761976921708E-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 3 4 3 0 0 0-0.935670875834E-02 0.000000000000E+00-0.169737917185E-04 0.000000000000E+00 0.457186153025E-03 0.000000000000E+00 0.457186153025E-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 1-0.155945145972E-02 0.000000000000E+00-0.282896528642E-05 0.000000000000E+00 0.761976921708E-04 0.000000000000E+00 0.761976921708E-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 3 4 3 2 0 2 0.109161602181E-01 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