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 0.178422409512E-02 0.000000000000E+00 0.577943403301E-04 0.000000000000E+00 -0.943680595840E-05 0.000000000000E+00-0.229152915388E-02 0.000000000000E+00 -0.277596400534E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.789575336072E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0 4 4 0 4 -4 0.106627784198E-02 0.000000000000E+00 0.345387245101E-04 0.000000000000E+00 -0.563957023111E-05 0.000000000000E+00-0.136945060192E-02 0.000000000000E+00 -0.165895579883E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.471861515449E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0 4 4 0 4 4 0.106627784198E-02 0.000000000000E+00 0.345387245101E-04 0.000000000000E+00 -0.563957023111E-05 0.000000000000E+00-0.136945060192E-02 0.000000000000E+00 -0.165895579883E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.471861515449E-04 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 -1 0 -1 0.523509216192E-03 0.000000000000E+00 0.775369467070E-03 0.000000000000E+00 -0.105317438119E-02 0.000000000000E+00-0.355738981987E-03 0.000000000000E+00 0.230719995659E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -0.424104925717E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 0 0 0-0.854886970210E-03 0.000000000000E+00-0.126617303764E-02 0.000000000000E+00 0.171982656272E-02 0.000000000000E+00 0.580919324990E-03 0.000000000000E+00 -0.376764175214E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.692560443605E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 1 0 1 0.523509216192E-03 0.000000000000E+00 0.775369467070E-03 0.000000000000E+00 -0.105317438119E-02 0.000000000000E+00-0.355738981987E-03 0.000000000000E+00 0.230719995659E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -0.424104925717E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 1 4 -3 0.675847491966E-03 0.000000000000E+00 0.100099767771E-02 0.000000000000E+00 -0.135964227966E-02 0.000000000000E+00-0.459257050944E-03 0.000000000000E+00 0.297858233608E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -0.547517104782E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 4 3 -1 4 3 0.675847491966E-03 0.000000000000E+00 0.100099767771E-02 0.000000000000E+00 -0.135964227966E-02 0.000000000000E+00-0.459257050944E-03 0.000000000000E+00 0.297858233608E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 -0.547517104782E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 2 -2 0 -2 0.436036280666E-03 0.000000000000E+00 0.146792596939E-04 0.000000000000E+00 -0.640206407023E-04 0.000000000000E+00-0.640206407023E-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 -1-0.174414512266E-02 0.000000000000E+00-0.587170387757E-04 0.000000000000E+00 0.256082562809E-03 0.000000000000E+00 0.256082562809E-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 0.261621768400E-02 0.000000000000E+00 0.880755581636E-04 0.000000000000E+00 -0.384123844214E-03 0.000000000000E+00-0.384123844214E-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 1-0.174414512266E-02 0.000000000000E+00-0.587170387757E-04 0.000000000000E+00 0.256082562809E-03 0.000000000000E+00 0.256082562809E-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 0.436036280666E-03 0.000000000000E+00 0.146792596939E-04 0.000000000000E+00 -0.640206407023E-04 0.000000000000E+00-0.640206407023E-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 0.218018140333E-02 0.000000000000E+00 0.733962984697E-04 0.000000000000E+00 -0.320103203511E-03 0.000000000000E+00-0.320103203511E-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 0.218018140333E-02 0.000000000000E+00 0.733962984697E-04 0.000000000000E+00 -0.320103203511E-03 0.000000000000E+00-0.320103203511E-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 -2-0.259905963984E-02 0.000000000000E+00-0.171027821129E-04 0.000000000000E+00 0.379982421088E-04 0.000000000000E+00 0.447137011657E-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 -1 0 -1 0.612604232013E-03 0.000000000000E+00 0.403116440306E-05 0.000000000000E+00 -0.895627155610E-05 0.000000000000E+00-0.105391204354E-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 0 0 0 0.223691437798E-02 0.000000000000E+00 0.147197311771E-04 0.000000000000E+00 -0.327036797494E-04 0.000000000000E+00-0.384834266582E-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 1 0 1 0.612604232013E-03 0.000000000000E+00 0.403116440306E-05 0.000000000000E+00 -0.895627155610E-05 0.000000000000E+00-0.105391204354E-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 2-0.259905963984E-02 0.000000000000E+00-0.171027821129E-04 0.000000000000E+00 0.379982421088E-04 0.000000000000E+00 0.447137011657E-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 0 4 -4-0.187153684283E-02 0.000000000000E+00-0.123154106772E-04 0.000000000000E+00 0.273618615669E-04 0.000000000000E+00 0.321975447690E-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 1 4 -3-0.162079845001E-02 0.000000000000E+00-0.106654585045E-04 0.000000000000E+00 0.236960672118E-04 0.000000000000E+00 0.278838917094E-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 4 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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 2 4 4 0 4 4-0.187153684283E-02 0.000000000000E+00-0.123154106772E-04 0.000000000000E+00 0.273618615669E-04 0.000000000000E+00 0.321975447690E-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 0.158671233515E-03 0.000000000000E+00 0.101805307700E-05 0.000000000000E+00 -0.202166461693E-05 0.000000000000E+00-0.265579963739E-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 6 4 -1 0 -1-0.448790020791E-03 0.000000000000E+00-0.287948893741E-05 0.000000000000E+00 0.571813103968E-05 0.000000000000E+00 0.751173573228E-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 6 4 0 0 0 0.614531044925E-03 0.000000000000E+00 0.394290261276E-05 0.000000000000E+00 -0.782987339301E-05 0.000000000000E+00-0.102858677665E-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 1-0.448790020791E-03 0.000000000000E+00-0.287948893741E-05 0.000000000000E+00 0.571813103968E-05 0.000000000000E+00 0.751173573228E-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 6 4 2 0 2 0.158671233515E-03 0.000000000000E+00 0.101805307700E-05 0.000000000000E+00 -0.202166461693E-05 0.000000000000E+00-0.265579963739E-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 6 4 0 4 -4-0.514153560353E-03 0.000000000000E+00-0.329886900461E-05 0.000000000000E+00 0.655094208075E-05 0.000000000000E+00 0.860577439842E-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 6 4 1 4 -3 0.118738678590E-02 0.000000000000E+00 0.761841163134E-05 0.000000000000E+00 -0.151287526951E-04 0.000000000000E+00-0.198741846621E-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 4 -2-0.111069863460E-02 0.000000000000E+00-0.712637153897E-05 0.000000000000E+00 0.141516523185E-04 0.000000000000E+00 0.185905974617E-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 4 2-0.111069863460E-02 0.000000000000E+00-0.712637153897E-05 0.000000000000E+00 0.141516523185E-04 0.000000000000E+00 0.185905974617E-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 0.118738678590E-02 0.000000000000E+00 0.761841163134E-05 0.000000000000E+00 -0.151287526951E-04 0.000000000000E+00-0.198741846621E-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 4-0.514153560353E-03 0.000000000000E+00-0.329886900461E-05 0.000000000000E+00 0.655094208075E-05 0.000000000000E+00 0.860577439842E-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 1 -1 0 -1 0.523509216192E-03 0.000000000000E+00 0.775369467070E-03 0.000000000000E+00 -0.355738981987E-03 0.000000000000E+00-0.105317438119E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.230719995659E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.424104925717E-03 0.000000000000E+00 3 4 1 0 0 0-0.854886970210E-03 0.000000000000E+00-0.126617303764E-02 0.000000000000E+00 0.580919324990E-03 0.000000000000E+00 0.171982656272E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.376764175214E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.692560443605E-03 0.000000000000E+00 3 4 1 1 0 1 0.523509216192E-03 0.000000000000E+00 0.775369467070E-03 0.000000000000E+00 -0.355738981987E-03 0.000000000000E+00-0.105317438119E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.230719995659E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.424104925717E-03 0.000000000000E+00 3 4 1 3 4 -1 0.675847491966E-03 0.000000000000E+00 0.100099767771E-02 0.000000000000E+00 -0.459257050944E-03 0.000000000000E+00-0.135964227966E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.297858233608E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.547517104782E-03 0.000000000000E+00 3 4 1 -3 4 1 0.675847491966E-03 0.000000000000E+00 0.100099767771E-02 0.000000000000E+00 -0.459257050944E-03 0.000000000000E+00-0.135964227966E-02 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.297858233608E-03 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00-0.547517104782E-03 0.000000000000E+00 3 4 3 -3 0 -3 0.177777655276E-03 0.000000000000E+00 0.100815773218E-02 0.000000000000E+00 -0.514601172708E-03 0.000000000000E+00-0.514601172708E-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 -2-0.414814528978E-03 0.000000000000E+00-0.235236804176E-02 0.000000000000E+00 0.120073606965E-02 0.000000000000E+00 0.120073606965E-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 3 -1 0 -1 0.592592184254E-04 0.000000000000E+00 0.336052577394E-03 0.000000000000E+00 -0.171533724236E-03 0.000000000000E+00-0.171533724236E-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 0 0 0 0.355555310552E-03 0.000000000000E+00 0.201631546436E-02 0.000000000000E+00 -0.102920234542E-02 0.000000000000E+00-0.102920234542E-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 3 1 0 1 0.592592184254E-04 0.000000000000E+00 0.336052577394E-03 0.000000000000E+00 -0.171533724236E-03 0.000000000000E+00-0.171533724236E-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 2-0.414814528978E-03 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