22 Ti J=2 E=-8.52606795D+02 n 1 2 2 3 3 3 3 4 4 4 4 1s c 0.955189 -0.019842 0.029704 0.065529 0.018407 -0.014859 0.005129 -0.019766 -0.003792 0.004438 -0.002154 z 22.752730 19.457053 8.985674 27.937944 6.628516 4.676845 3.163257 10.677959 1.855001 1.221688 0.840977 2s c -0.28946 -0.14304 1.01272 -0.00967 0.07743 -0.00425 0.01518 0.05917 0.00275 0.00063 -0.00010 z 22.72757 19.46608 8.99173 27.93824 6.62775 4.67655 3.16202 10.67434 1.85461 1.22100 0.83950 n 2 2 2 2 3 3 3 2p c 0.00331 0.33837 0.43380 0.00715 0.27535 -0.00065 0.01230 z 33.39477 13.35853 6.98347 3.06970 10.76108 2.58037 1.61174 n 1 2 2 3 3 3 3 4 4 4 4 3s c -0.10744 -0.06247 0.44158 -0.00403 0.09871 -0.58841 -0.61129 0.08517 -0.01131 -0.01072 -0.00950 z 22.73155 19.45937 8.98635 27.93648 6.62799 4.68227 3.16747 10.67791 1.85430 1.22087 0.83947 n 2 2 2 2 3 3 3 3p c 0.00102 0.07885 0.47221 -0.86670 0.01983 -0.34278 -0.02422 z 33.38831 13.42425 6.98831 3.07124 10.71263 2.57992 1.61168 n 1 2 2 3 3 3 3 4 4 4 4 4s c 0.02788 0.01640 -0.11615 0.00111 -0.03135 0.18536 0.16818 -0.02422 -0.29752 -0.52960 -0.29255 z 22.73137 19.45967 8.98609 27.93640 6.62806 4.67368 3.16575 10.67549 1.86146 1.22372 0.84293 n 3 3 3 3 3 3d c 0.01622 0.17105 0.37317 0.42439 0.17606 z 10.47603 5.23565 3.18621 1.92708 1.19163 ----------------------------------------------------------------------------------------- 22 Ti2+ 1s n 1 2 2 3 3 3 3 4 4 4 4 c 0.96033000 -0.04755300 0.04539900 0.08035700 -0.01314100 -0.02747200 0.02459600 0.00482100 -0.00384000 -0.00022100 -0.00508900 z 22.72495300 19.45292800 8.98523900 27.96852600 6.62877800 4.67733300 3.16323000 10.67731900 1.85504300 1.22173100 0.84097900 2s n 1 2 2 3 3 3 3 4 4 4 4 c -0.28916200 -0.14458400 1.02387100 -0.00952300 0.07819200 -0.02072300 -0.00154200 0.06420100 0.00122000 0.00036600 -0.00015100 z 22.72015800 19.47698300 8.99737200 27.94074400 6.62819900 4.67637900 3.16206500 10.67203700 1.85460800 1.22100000 0.83950000 3s n 1 2 2 3 3 3 3 4 4 4 4 c -0.09866800 -0.05868700 0.41455600 -0.00369900 0.09497100 -0.58639300 -0.61925400 0.08394600 -0.00403200 0.00170200 -0.00224700 z 22.73177200 19.45880500 8.98630500 27.93645500 6.62769200 4.68188700 3.15990800 10.67808200 1.85448400 1.22092800 0.83947300 2p n 2 2 2 2 3 3 3 c 0.00333900 0.34098400 0.45416700 -0.02502400 0.27264500 -0.01417100 0.01710200 z 33.39697600 13.34766800 6.98194600 3.06963200 10.76278900 2.58076500 1.61167100 3p n 2 2 2 2 3 3 3 c -0.00097600 -0.06784500 -0.45199900 0.86323900 -0.01263900 0.35398200 0.01060200 z 33.38831700 13.42399900 6.99123900 3.06754600 10.71273700 2.57511500 1.61277800 3d n 3 3 3 3 3 c 0.01694900 0.17950600 0.37813900 0.48903100 0.07294400 z 10.47855100 5.21555600 3.19485800 1.89532100 1.26393100 ------------------------------------------------------------------------------------------------------ 22 Ti3+ 1s n 1 2 2 3 3 3 3 4 4 4 4 c 0.95997700 -0.04668700 0.04540600 0.07998300 -0.00840300 -0.02607800 0.02197100 0.00043100 -0.00297400 0.00076400 -0.00450800 z 22.73043400 19.45366000 8.98532700 27.96321000 6.62872900 4.67726300 3.16315500 10.67744000 1.85505200 1.22173300 0.84098000 2s n 1 2 2 3 3 3 3 4 4 4 4 c -0.28904800 -0.14494600 1.02450300 -0.00931400 0.07657000 -0.01988000 -0.00171200 0.06454800 0.00008000 -0.00000500 -0.00025500 z 22.72351400 19.47204300 8.99436800 27.93956900 6.62823100 4.67639800 3.16205700 10.67312500 1.85460800 1.22100000 0.83950000 3s n 1 2 2 3 3 3 3 4 4 4 4 c -0.10039000 -0.05958000 0.42158100 -0.00386800 0.10332900 -0.61151000 -0.60881600 0.08432400 0.01918500 -0.00976400 -0.01289400 z 22.73150200 19.45939500 8.98613000 27.93649900 6.62855400 4.67171500 3.19467700 10.67639700 1.85499700 1.22081500 0.83942400 2p n 2 2 2 2 3 3 3 c 0.00335100 0.34058100 0.45497500 -0.02782300 0.27328100 -0.01216300 0.01908700 z 33.39666800 13.35148200 6.98208500 3.06966900 10.75938300 2.58078900 1.61164200 3p n 2 2 2 2 3 3 3 c 0.00085600 0.06771000 0.48214900 -0.91194900 0.00510900 -0.33307500 0.01695200 z 33.38830200 13.42477000 6.98369100 3.06401000 10.71231200 2.61032000 1.61331600 3d n 3 3 3 3 3 c 0.01845200 0.20343500 0.43117600 0.46268900 -0.00763100 z 10.47820800 5.22293700 3.15668500 1.97781000 1.22798600 ----------------------------------------------------------------------------------------------------- 22 Ti4+ 1s n 1 2 2 3 3 3 3 4 4 4 4 c 0.90858800 -0.05910500 0.19670100 0.07138300 0.02430500 -0.02728000 -0.01504200 -0.02199400 -0.00576800 0.00640800 -0.00085000 z 22.75992600 19.45713800 8.98722400 27.94020400 6.62937600 4.67711000 3.16360300 10.67840800 1.85512700 1.22167600 0.84097900 2s n 1 2 2 3 3 3 3 4 4 4 4 c -0.40586800 -0.11655000 0.95801000 -0.02932300 0.10262600 -0.02874700 0.07074600 0.07316500 -0.00757900 -0.02014500 -0.00936100 z 22.60430800 19.58355800 9.07075400 28.02062100 6.62837500 4.67677800 3.15981200 10.64467500 1.85507100 1.22120600 0.83957400 3s n 1 2 2 3 3 3 3 4 4 4 4 c -0.15687200 -0.06556400 0.48826200 -0.00931000 0.11606400 -0.64735100 -0.58690500 0.09171400 0.04253300 -0.02429300 -0.02372400 z 22.72975300 19.46228800 8.98666900 27.93708400 6.63043700 4.66209300 3.24246800 10.67247900 1.85830900 1.22076500 0.83950800 2p n 2 2 2 2 3 3 3 c 0.00333600 0.33521200 0.43303000 0.01653200 0.27033900 0.01916100 -0.00180600 z 33.39688000 13.35015700 6.98599300 3.06933300 10.76329600 2.58051500 1.61205500 3p n 2 2 2 2 3 3 3 c 0.00100700 0.08485100 0.54621300 -0.97746200 0.01144900 -0.29845400 0.04200900 z 33.38815100 13.42746200 6.97307900 3.07269900 10.70897200 2.65001400 1.62316200