$basis * h x2c-TZVPall-s # h (5s2p) / [3s2p] {311/11} * 3 s 34.061341000 0.60251978000E-02 5.1235746000 0.45021094000E-01 1.1646626000 0.20189726000 1 s 0.32723041000 1.0000000000 1 s 0.10307241000 1.0000000000 1 p 5.2000000000 1.0000000000 1 p 0.80000000000 1.0000000000 * he x2c-TZVPall-s # he (5s2p) / [3s2p] {311/11} * 3 s 98.078321616 0.75803064967E-02 14.764404247 0.54848620937E-01 3.3185831473 0.22074382186 1 s 0.87413869551 1.0000000000 1 s 0.24459897208 1.0000000000 1 p 6.5000000000 1.0000000000 1 p 1.0000000000 1.0000000000 * li x2c-TZVPall-s # li (11s4p) / [5s4p] {62111/1111} * 6 s 6272.7162065 -0.14653853000E-03 926.82896248 -0.10058908998E-02 214.33069088 -0.50408608052E-02 59.804104999 -0.20978777983E-01 19.903315784 -0.66628144206E-01 7.2089847621 -0.16948293947 2 s 3.1088129856 -0.55536784152E-01 1.3777499784 -0.87645382760E-01 1 s 0.52995310695 1.0000000000 1 s 0.77463144076E-01 1.0000000000 1 s 0.28812131585E-01 1.0000000000 1 p 21.625500000 1.0000000000 1 p 3.3270000000 1.0000000000 1 p 0.40000000000 1.0000000000 1 p 0.60000000000E-01 1.0000000000 * be x2c-TZVPall-s # be (11s5p1d) / [5s4p1d] {62111/1121/1} * 6 s 4701.3933543 0.43260531003E-03 700.17249699 0.30047717995E-02 160.33173168 0.15138278026E-01 45.163309228 0.59611277825E-01 14.801465226 0.17353168098 5.3325918433 0.34928542850 2 s 2.1869440536 -0.13847639025 0.98384230754 -0.73828900866E-01 1 s 0.18802578914 1.0000000000 1 s 0.74709440034E-01 1.0000000000 1 s 0.32635374922E-01 1.0000000000 1 p 23.605996144 1.0000000000 1 p 3.6316917145 1.0000000000 2 p 0.71695694366 -0.16877854032 0.19541932860 -0.51403419628 1 p 0.60515465890E-01 1.0000000000 1 d 0.18000000000 1.0000000000 * b x2c-TZVPall-s # b (11s7p2d1f) / [5s4p2d1f] {62111/4111/11/1} * 6 s 8570.1825084 -0.39093421002E-03 1276.5397182 -0.25700311014E-02 291.82930338 -0.12829495047E-01 82.335664934 -0.50924141809E-01 27.025904752 -0.15277535101 9.7956822895 -0.32495359768 2 s 3.9866864384 -0.14987652045 1.7246162265 -0.87881095735E-01 1 s 0.35795464297 1.0000000000 1 s 0.14261470821 1.0000000000 1 s 0.60522404722E-01 1.0000000000 4 p 145.96969469 0.28023739000E-03 22.456876106 0.48612219993E-02 5.1014626420 0.33079999984E-01 1.4969385003 0.13136363009 1 p 0.50964638134 1.0000000000 1 p 0.18153750179 1.0000000000 1 p 0.64622952777E-01 1.0000000000 1 d 0.66100000000 1.0000000000 1 d 0.19900000000 1.0000000000 1 f 0.49000000000 1.0000000000 * c x2c-TZVPall-s # c (11s7p2d1f) / [5s4p2d1f] {62111/4111/11/1} * 6 s 13602.867221 -0.37777522999E-03 2025.6373438 -0.23576500983E-02 463.91231001 -0.11596012028E-01 130.82215199 -0.46115805966E-01 42.923923821 -0.14105167104 15.581525131 -0.31080969741 2 s 6.2892392533 -0.15604284118 2.6572302404 -0.96370811902E-01 1 s 0.57807742401 1.0000000000 1 s 0.22989985704 1.0000000000 1 s 0.95160774246E-01 1.0000000000 4 p 225.59575019 0.29463169000E-03 34.707038490 0.51749182998E-02 7.9558987851 0.36091895998E-01 2.3791715536 0.14197570001 1 p 0.81439359487 1.0000000000 1 p 0.28897779004 1.0000000000 1 p 0.10058968205 1.0000000000 1 d 1.0970000000 1.0000000000 1 d 0.31800000000 1.0000000000 1 f 0.76100000000 1.0000000000 * n x2c-TZVPall-s # n (11s7p2d1f) / [5s4p2d1f] {62111/4111/11/1} * 6 s 19789.016481 -0.37741950008E-03 2940.3775161 -0.22466311034E-02 673.31843454 -0.10864606055E-01 190.21063130 -0.43147795811E-01 62.383050138 -0.13353514125 22.640478257 -0.30137275646 2 s 9.0859780036 -0.15994581107 3.7881647438 -0.10206985932 1 s 0.85073694877 1.0000000000 1 s 0.33758958558 1.0000000000 1 s 0.13640818131 1.0000000000 4 p 320.04502745 0.30728407000E-03 49.237696530 0.53958551001E-02 11.344115113 0.38370609016E-01 3.4255533305 0.14943870993 1 p 1.1788352543 1.0000000000 1 p 0.41651032033 1.0000000000 1 p 0.14264138117 1.0000000000 1 d 1.6540000000 1.0000000000 1 d 0.46900000000 1.0000000000 1 f 1.0930000000 1.0000000000 * o x2c-TZVPall-s # o (11s7p2d1f) / [5s4p2d1f] {62111/4111/11/1} * 6 s 27129.723697 -0.38412016008E-03 4027.0930191 -0.21890968046E-02 922.41748966 -0.10403684068E-01 260.46373931 -0.41183208891E-01 85.461818612 -0.12812329149 31.032450616 -0.29445956566 2 s 12.392742851 -0.16362839154 5.1198045492 -0.10697361899 1 s 1.1764031300 1.0000000000 1 s 0.46546138443 1.0000000000 1 s 0.18500871202 1.0000000000 4 p 411.75890308 0.33813347000E-03 63.347523551 0.59091901998E-02 14.624684698 0.42272179999E-01 4.4491599423 0.16143993001 1 p 1.5277866789 1.0000000000 1 p 0.52943458369 1.0000000000 1 p 0.17479105448 1.0000000000 1 d 2.3140000000 1.0000000000 1 d 0.64500000000 1.0000000000 1 f 1.4280000000 1.0000000000 * f x2c-TZVPall-s # f (12s7p2d1f) / [6s4p2d1f] {621111/4111/11/1} * 6 s 35721.672621 -0.39516581043E-03 5293.7357902 -0.21671165129E-02 1212.1233905 -0.10117651059E-01 342.91286364 -0.39833202647E-01 112.42603582 -0.12435220163 40.917545282 -0.28894149224 2 s 16.262198742 -0.16614250170 6.6517722909 -0.11043222887 1 s 1.5555333785 1.0000000000 1 s 0.61736850796 1.0000000000 1 s 0.24009983000 1.0000000000 1 s 0.96000000000E-01 1.0000000000 4 p 522.55669608 0.35756623000E-03 80.393337858 0.62163284016E-02 18.592865893 0.44713886123E-01 5.6864847621 0.16859414949 1 p 1.9512846036 1.0000000000 1 p 0.66982956805 1.0000000000 1 p 0.21650052060 1.0000000000 1 d 3.1070000000 1.0000000000 1 d 0.85500000000 1.0000000000 1 f 1.9170000000 1.0000000000 * ne x2c-TZVPall-s # ne (11s7p2d1f) / [5s4p2d1f] {62111/4111/11/1} * 6 s 45229.431322 -0.40974567972E-03 6743.4376363 -0.21615367017E-02 1534.6457580 -0.99552958953E-02 435.08059229 -0.38676615036E-01 142.18993818 -0.12209256991 51.886154302 -0.28223880008 2 s 20.627344856 -0.16798157091 8.3628093275 -0.11294788939 1 s 1.9816316982 1.0000000000 1 s 0.78375009104 1.0000000000 1 s 0.30226244819 1.0000000000 4 p 650.02953203 0.37231503999E-03 100.00454339 0.64195868006E-02 23.179031144 0.46342730061E-01 7.1175875531 0.17322878976 1 p 2.4426375647 1.0000000000 1 p 0.83422677927 1.0000000000 1 p 0.26607965295 1.0000000000 1 d 4.0140000000 1.0000000000 1 d 1.0960000000 1.0000000000 1 f 2.5440000000 1.0000000000 * na x2c-TZVPall-s # na (14s9p3d) / [5s5p3d] {73211/51111/111} * 7 s 27690.142398 0.87910989662E-03 4048.0818093 0.50547397225E-02 909.91450810 0.24013801818E-01 255.25400919 0.91436286065E-01 82.352244114 0.25884808263 29.025586482 0.46136562991 10.651930738 0.31968756613 3 s 54.505558598 -0.20009363294E-01 16.600767872 -0.95976738138E-01 2.3676469052 0.40857804127 2 s 1.0917002312 -0.14473246954 0.52263940066 -0.10681508638 1 s 0.50772989290E-01 1.0000000000 1 s 0.20228145436E-01 1.0000000000 5 p 919.25668282 0.32059624000E-03 141.42410505 0.55229313026E-02 32.880608236 0.40899805073E-01 10.183756838 0.15947432985 3.5515858243 0.35652193966 1 p 1.2507603540 1.0000000000 1 p 0.42236113248 1.0000000000 1 p 0.91000000000E-01 1.0000000000 1 p 0.30000000000E-01 1.0000000000 1 d 2.6090000000 1.0000000000 1 d 0.43000000000 1.0000000000 1 d 0.10000000000 1.0000000000 * mg x2c-TZVPall-s # mg (14s9p3d) / [5s5p3d] {73211/51111/111} * 7 s 34574.695520 0.88825075297E-03 4999.7042667 0.50187884230E-02 1115.2985735 0.23668912593E-01 311.59469321 0.90123709689E-01 100.40064661 0.25637372969 35.369386708 0.46281581761 12.974277575 0.32830109933 3 s 65.537480381 -0.21006149732E-01 19.864136964 -0.99651973019E-01 2.9378704392 0.42377246211 2 s 1.2592816438 -0.21933938578 0.59840449883 -0.89148336088E-01 1 s 0.10092354906 1.0000000000 1 s 0.36867381412E-01 1.0000000000 5 p 1225.9716406 0.29185644000E-03 188.61102163 0.49715542990E-02 43.889272796 0.37588353011E-01 13.624054169 0.15171476014 4.7818664514 0.35394581965 1 p 1.7141264546 1.0000000000 1 p 0.59600651732 1.0000000000 1 p 0.18914796195 1.0000000000 1 p 0.53768755187E-01 1.0000000000 1 d 3.4440000000 1.0000000000 1 d 0.29000000000 1.0000000000 1 d 0.70000000000E-01 1.0000000000 * al x2c-TZVPall-s # al (14s10p3d1f) / [5s6p2d1f] {73211/511111/21/1} * 7 s 39734.611192 0.93697007763E-03 5770.4919451 0.51193593277E-02 1298.7551416 0.23532706519E-01 366.15572731 0.88200057074E-01 118.86650327 0.24951488158 42.083976316 0.45202077674 15.516799964 0.32598091956 3 s 74.985415154 -0.22511450060E-01 23.168592749 -0.10013086914 3.6427059192 0.39895276091 2 s 1.6419776785 -0.25356654438 0.80560052138 -0.11429765580 1 s 0.16651088806 1.0000000000 1 s 0.60413600506E-01 1.0000000000 5 p 2968.9831434 0.10081449693E-03 456.76663744 0.16096879894E-02 107.12900205 0.13005728745E-01 34.117325623 0.59941106307E-01 12.578274331 0.18427050904 1 p 4.9753182814 1.0000000000 1 p 2.0028743726 1.0000000000 1 p 0.79810521125 1.0000000000 1 p 0.19143510821 1.0000000000 1 p 0.56062688555E-01 1.0000000000 2 d 1.5700000000 0.20000000000 0.33300000000 1.0000000000 1 d 0.11100000000 1.0000000000 1 f 0.24400000000 1.0000000000 * si x2c-TZVPall-s # si (14s10p3d1f) / [5s6p2d1f] {73211/511111/21/1} * 7 s 48917.820097 0.93573757518E-03 7010.8979731 0.50417349728E-02 1562.1765176 0.23053574354E-01 437.62190409 0.86562984116E-01 141.60711577 0.24653247723 50.076144298 0.45260305787 18.494994530 0.33618456703 3 s 86.938918982 -0.23622230893E-01 26.827508283 -0.10321837996 4.5232540614 0.36173498199 2 s 2.1353300597 -0.28049391847 1.0391537870 -0.13762993512 1 s 0.23842835161 1.0000000000 1 s 0.86210224752E-01 1.0000000000 5 p 2746.3455653 0.15506670870E-03 422.51470236 0.24874326726E-02 98.738991501 0.19737513238E-01 31.459957911 0.86408555229E-01 11.679474580 0.23940233819 1 p 4.6365355093 1.0000000000 1 p 1.8805183133 1.0000000000 1 p 0.74288993784 1.0000000000 1 p 0.23590885290 1.0000000000 1 p 0.75525953616E-01 1.0000000000 2 d 2.3030000000 0.20000000000 0.47600000000 1.0000000000 1 d 0.16000000000 1.0000000000 1 f 0.33600000000 1.0000000000 * p x2c-TZVPall-s # p (14s10p3d1f) / [5s6p2d1f] {73211/511111/21/1} * 7 s 59261.280592 0.94104987998E-03 8409.8786697 0.49824764157E-02 1859.2834412 0.22622582862E-01 517.62869210 0.85049993969E-01 166.88705926 0.24397512828 58.903976260 0.45378865436 21.781724454 0.34654331809 3 s 99.809391102 -0.24540952884E-01 30.820812506 -0.10561810137 5.5021472462 0.33088446230 2 s 2.6804663694 -0.30263172927 1.2934001698 -0.15537991406 1 s 0.31843099628 1.0000000000 1 s 0.11485329144 1.0000000000 5 p 3265.2444798 0.15780824357E-03 502.34530458 0.24799847943E-02 116.87086968 0.19789855377E-01 37.172206209 0.87577697994E-01 13.768810003 0.24544722763 1 p 5.4511049171 1.0000000000 1 p 2.2030347771 1.0000000000 1 p 0.83673698043 1.0000000000 1 p 0.29230138183 1.0000000000 1 p 0.97957852931E-01 1.0000000000 2 d 3.1200000000 0.20000000000 0.64800000000 1.0000000000 1 d 0.21800000000 1.0000000000 1 f 0.45200000000 1.0000000000 * s x2c-TZVPall-s # s (14s10p3d1f) / [5s6p2d1f] {73211/421111/21/1} * 7 s 71122.085228 0.94953411070E-03 9998.2478776 0.49370930030E-02 2195.6085519 0.22204814964E-01 608.13276741 0.83545406633E-01 195.24616631 0.24169136909 68.721661391 0.45609573944 25.404271316 0.35826005803 3 s 114.23966459 -0.25207512594E-01 35.211083650 -0.10812344032 6.5872441540 0.30587125522 2 s 3.2718710215 -0.32482976188 1.5630827972 -0.16855101370 1 s 0.40808274737 1.0000000000 1 s 0.14638292856 1.0000000000 4 p 3931.7127852 0.15482589104E-03 604.87889003 0.23727183348E-02 140.08978619 0.19057101238E-01 44.499465780 0.85409717787E-01 2 p 16.474887158 -0.67032812370E-01 6.5229645048 -0.11617728433 1 p 2.6400848985 1.0000000000 1 p 0.98910956139 1.0000000000 1 p 0.35094561945 1.0000000000 1 p 0.11577157930 1.0000000000 2 d 3.7560000000 0.20000000000 0.81200000000 1.0000000000 1 d 0.27300000000 1.0000000000 1 f 0.55700000000 1.0000000000 * cl x2c-TZVPall-s # cl (14s10p3d1f) / [5s6p2d1f] {73211/421111/21/1} * 7 s 85036.409048 0.99487693900E-03 11843.712612 0.50786342547E-02 2582.2355687 0.22639292557E-01 711.14752588 0.85256277312E-01 227.08160767 0.24912901999 79.617741437 0.47752059442 29.403185243 0.38612776373 3 s 129.35812129 -0.25901005353E-01 39.858805390 -0.11031035419 7.7968458542 0.28347365795 2 s 3.9141574109 -0.34440543162 1.8515715358 -0.17806760383 1 s 0.50558521777 1.0000000000 1 s 0.18069120524 1.0000000000 4 p 4677.5983236 0.15256717128E-03 719.63051132 0.22763470642E-02 166.02091386 0.18338307899E-01 52.711006101 0.83010315952E-01 2 p 19.536035856 -0.70295621689E-01 7.7618943192 -0.12388049686 1 p 3.1603942091 1.0000000000 1 p 1.1924171377 1.0000000000 1 p 0.42532507072 1.0000000000 1 p 0.13952645427 1.0000000000 2 d 4.6100000000 0.20000000000 1.0110000000 1.0000000000 1 d 0.33900000000 1.0000000000 1 f 0.70600000000 1.0000000000 * ar x2c-TZVPall-s # ar (14s10p3d1f) / [5s6p2d1f] {73211/511111/21/1} * 7 s 98994.703720 0.97992518332E-03 13674.496236 0.49189716349E-02 2968.8399254 0.21662514253E-01 815.33054364 0.81253872501E-01 259.76577163 0.23844793640 90.959312802 0.46128330308 33.621790412 0.38133286465 3 s 145.82497643 -0.26416876667E-01 44.878181687 -0.11229420210 9.1086576465 0.26576042982 2 s 4.5971204521 -0.36247408044 2.1546438364 -0.18488751180 1 s 0.61197543484 1.0000000000 1 s 0.21808723493 1.0000000000 5 p 5497.7321431 0.15128764452E-03 845.80494509 0.22001293070E-02 194.19304232 0.17760945018E-01 61.645683581 0.80894498580E-01 22.894178583 0.23752822749 1 p 9.1364514008 1.0000000000 1 p 3.7455371826 1.0000000000 1 p 1.4317972995 1.0000000000 1 p 0.51258347299 1.0000000000 1 p 0.16791667210 1.0000000000 2 d 5.5510000000 0.20000000000 1.2350000000 1.0000000000 1 d 0.41200000000 1.0000000000 1 f 0.89000000000 1.0000000000 * k x2c-TZVPall-s # k (17s12p3d) / [6s5p3d] {842111/63111/111} * 8 s 217955.03409 0.66990806842E-03 29156.526653 0.31182897147E-02 6198.5789900 0.13068078126E-01 1678.2819121 0.49034124071E-01 530.06365974 0.15654763116 186.15771503 0.37330141872 70.733861990 0.53886276673 27.313933884 0.28006318804 4 s 178.35032077 -0.27275914551E-01 54.164474716 -0.13091464595 8.0659339468 0.66020910495 3.2626887607 0.66920519864 2 s 4.6196147088 -0.25128799227 0.71037343184 0.83890171476 1 s 0.28648068190 1.0000000000 1 s 0.36428259777E-01 1.0000000000 1 s 0.16258638845E-01 1.0000000000 6 p 5283.5254549 0.19916019000E-03 812.85006999 0.28989344000E-02 185.39017080 0.23516087000E-01 57.984629688 0.10667688000 21.061525701 0.29959556000 8.1255601731 0.47333385000 3 p 11.803026712 -0.15981173152E-01 1.5284520541 0.35480521842 0.58928434774 0.67668508655 1 p 3.1867831510 1.0000000000 1 p 0.21763208055 1.0000000000 1 p 0.41737000000E-01 1.0000000000 1 d 0.93000000000 1.0000000000 1 d 0.18000000000 1.0000000000 1 d 0.54000000000E-01 1.0000000000 * ca x2c-TZVPall-s # ca (17s13p4d) / [6s6p3d] {842111/631111/211} * 8 s 261913.48500 0.68305000620E-03 34657.936389 0.31246348677E-02 7305.4879610 0.12950908010E-01 1959.2143235 0.48634096379E-01 612.80829171 0.15676245156 213.54539756 0.37939064839 80.566715415 0.56049366225 30.937017259 0.29960970848 4 s 197.84077583 -0.28708557799E-01 60.193856920 -0.13646986261 9.1492365939 0.67611994639 3.7529818384 0.69728152067 2 s 5.3146056235 -0.27429581874 0.86089390984 0.86848034302 1 s 0.37390531507 1.0000000000 1 s 0.67327178426E-01 1.0000000000 1 s 0.26995005524E-01 1.0000000000 6 p 6226.1796643 0.19216976541E-03 957.87379450 0.27246924873E-02 216.99208368 0.22258564283E-01 67.649661269 0.10256112038 24.552647579 0.29363665283 9.4918487023 0.47407715814 3 p 13.540465402 -0.18209690753E-01 1.8364268874 0.37635300464 0.72982942693 0.71522024598 1 p 3.7428278548 1.0000000000 1 p 0.27985290525 1.0000000000 1 p 0.74979000000E-01 1.0000000000 1 p 0.26927000000E-01 1.0000000000 2 d 5.4979093879 0.73770011433E-01 1.3177128032 0.26052853169 1 d 0.32188682649 1.0000000000 1 d 0.70528614919E-01 1.0000000000 * sc x2c-TZVPall-s # sc (17s13p8d1f) / [6s6p5d1f] {842111/631111/41111/1} * 8 s 283035.08998 0.66431108044E-03 37249.865641 0.30079228093E-02 7836.6325137 0.12323134337E-01 2104.9283613 0.45653927522E-01 661.60085782 0.14505529577 231.60777304 0.34700989796 87.795015892 0.50486893046 33.913033254 0.26508386127 4 s 219.02145860 -0.25400501466E-01 66.753065327 -0.11985983723 10.249863972 0.59196640599 4.2370334384 0.60628790210 2 s 6.0916835921 -0.24231741233 0.99559657782 0.76466798933 1 s 0.43127987832 1.0000000000 1 s 0.78360815466E-01 1.0000000000 1 s 0.30596382618E-01 1.0000000000 6 p 6841.7058365 0.20395235000E-03 1052.5701287 0.28350906000E-02 238.26103213 0.22938580000E-01 74.641227309 0.10439863000 27.285989589 0.29594439000 10.639224932 0.47368087000 3 p 15.695332858 -0.16448653375E-01 2.1354468245 0.33516645690 0.85139207888 0.62274021505 1 p 4.2318171949 1.0000000000 1 p 0.32596711719 1.0000000000 1 p 0.12390000000 1.0000000000 1 p 0.47530000000E-01 1.0000000000 4 d 32.129648612 0.11944197799E-01 8.9856753044 0.68830703613E-01 3.0350435459 0.22204850826 1.0995353693 0.40883340312 1 d 1.0990000000 1.0000000000 1 d 0.38850062948 1.0000000000 1 d 0.12581800544 1.0000000000 1 d 0.41000000000E-01 1.0000000000 1 f 0.34500000000 1.0000000000 * ti x2c-TZVPall-s # ti (17s13p8d1f) / [6s6p5d1f] {842111/631111/41111/1} * 8 s 332321.78784 0.69203566297E-03 43206.965928 0.30966632196E-02 9013.7784185 0.12544582041E-01 2403.9035203 0.46333561993E-01 750.21799547 0.14790912380 261.30939018 0.35698995946 98.674442536 0.52850838169 37.984876350 0.28543614684 4 s 243.22565578 -0.27089194822E-01 73.902712371 -0.12887461556 11.427792290 0.63224767776 4.7538916172 0.64606413360 2 s 6.9177810390 -0.26242492622 1.1374927961 0.82264439295 1 s 0.48961723391 1.0000000000 1 s 0.86462397474E-01 1.0000000000 1 s 0.33123080410E-01 1.0000000000 6 p 7928.5462737 0.19900105626E-03 1219.7763498 0.26889589350E-02 274.46083954 0.21863026882E-01 85.568099716 0.10118104224 31.165856346 0.29213639601 12.137045873 0.47525370393 3 p 17.939963662 -0.18175404834E-01 2.4587777527 0.36361364243 0.98157588086 0.66757520670 1 p 4.8305704397 1.0000000000 1 p 0.37511146280 1.0000000000 1 p 0.14180000000 1.0000000000 1 p 0.54270000000E-01 1.0000000000 4 d 39.303701407 0.12211432688E-01 11.094611171 0.72644033852E-01 3.7810815445 0.23840784006 1.3872344030 0.44218806276 1 d 1.3870000000 1.0000000000 1 d 0.49789844060 1.0000000000 1 d 0.16374842844 1.0000000000 1 d 0.54000000000E-01 1.0000000000 1 f 0.56200000000 1.0000000000 * v x2c-TZVPall-s # v (17s13p8d1f) / [6s6p5d1f] {842111/631111/41111/1} * 8 s 370819.65672 0.80625315940E-03 47935.310044 0.35575426888E-02 9966.4141680 0.14238042777E-01 2652.6199249 0.52152840306E-01 825.61968802 0.16625513407 286.96550188 0.40094819031 108.33398923 0.59330490173 41.750514913 0.32121166495 4 s 267.52026406 -0.25886769944E-01 81.294043973 -0.12278710608 12.677771789 0.59982687158 5.3003326076 0.61189684215 2 s 7.7960082429 -0.24970057755 1.2848298066 0.78088619820 1 s 0.54903841433 1.0000000000 1 s 0.94832498499E-01 1.0000000000 1 s 0.35757234479E-01 1.0000000000 6 p 8740.3438908 0.20723057885E-03 1344.6682909 0.27409566884E-02 302.01201546 0.22115268676E-01 94.380432782 0.10177155524 34.530218303 0.29261676606 13.528599073 0.47478403123 3 p 20.362530441 -0.17541886277E-01 2.8030618514 0.34602069329 1.1193462390 0.63086662614 1 p 5.4126787345 1.0000000000 1 p 0.42637121730 1.0000000000 1 p 0.16030000000 1.0000000000 1 p 0.61190000000E-01 1.0000000000 4 d 45.670789455 0.11610319371E-01 12.979671186 0.69943901135E-01 4.4682483153 0.22904320491 1.6552884073 0.42210899510 1 d 1.6550000000 1.0000000000 1 d 0.59832832323 1.0000000000 1 d 0.19702511700 1.0000000000 1 d 0.65000000000E-01 1.0000000000 1 f 0.83100000000 1.0000000000 * cr x2c-TZVPall-s # cr (17s13p8d1f) / [6s6p5d1f] {842111/631111/41111/1} * 8 s 445328.87073 0.77413874179E-03 56913.404032 0.33666348302E-02 11699.025112 0.13357373993E-01 3081.1953941 0.48828269305E-01 950.63016709 0.15667895036 327.92658148 0.38502232738 122.61872166 0.59004585186 46.789129284 0.33302348638 4 s 291.99072380 -0.29065212981E-01 88.988241478 -0.13676748481 13.975807875 0.66926472036 5.8614251368 0.67760774218 2 s 8.7237086887 -0.28236507703 1.4393281489 0.88282343537 1 s 0.61038998408 1.0000000000 1 s 0.10233203121 1.0000000000 1 s 0.37976796264E-01 1.0000000000 6 p 10074.416050 0.20133127000E-03 1549.9101616 0.25950871000E-02 344.65546314 0.21137694000E-01 106.90629297 0.98801026000E-01 38.903264746 0.28989367000 15.195431851 0.47673703000 3 p 23.020253084 -0.20094179747E-01 3.1521441462 0.39724329036 1.2558479021 0.71177389569 1 p 6.0706287056 1.0000000000 1 p 0.47734577637 1.0000000000 1 p 0.16640000000 1.0000000000 1 p 0.61630000000E-01 1.0000000000 4 d 52.494115122 0.11350606000E-01 13.733784307 0.78065221789E-01 4.4975348691 0.25561526000 1.5851842211 0.43608448295 1 d 1.5850000000 1.0000000000 1 d 0.53976977203 1.0000000000 1 d 0.16559145766 1.0000000000 1 d 0.51000000000E-01 1.0000000000 1 f 1.1470000000 1.0000000000 * mn x2c-TZVPall-s # mn (17s13p8d1f) / [6s6p5d1f] {842111/631111/41111/1} * 8 s 513198.94271 0.88217091821E-03 64856.428535 0.38014756075E-02 13205.524990 0.14945080941E-01 3460.9125082 0.54116233777E-01 1064.8518824 0.17346608402 365.58539413 0.43135211980 135.75982186 0.67272618129 51.526429094 0.38623604483 4 s 320.69736911 -0.29583078863E-01 97.319082593 -0.14039541793 15.377252315 0.68188064030 6.4758004041 0.69306486725 2 s 9.6999546190 -0.28626475427 1.6054379586 0.88669729340 1 s 0.67739322150 1.0000000000 1 s 0.10980354016 1.0000000000 1 s 0.40286348966E-01 1.0000000000 6 p 11414.660555 0.19947945000E-03 1756.1016238 0.25073802000E-02 387.97233638 0.20426484000E-01 120.02345092 0.96172622000E-01 43.616613878 0.28604559000 17.028390637 0.47742837000 3 p 25.574800215 -0.20755949380E-01 3.5548361079 0.39959918683 1.4173279374 0.72249992112 1 p 6.8019674765 1.0000000000 1 p 0.53634158013 1.0000000000 1 p 0.19930000000 1.0000000000 1 p 0.75570000000E-01 1.0000000000 4 d 59.317442808 0.13217367402E-01 16.984864195 0.81784150085E-01 5.9074434279 0.26834338706 2.2054399471 0.48850126671 1 d 2.2050000000 1.0000000000 1 d 0.80033035746 1.0000000000 1 d 0.26278234445 1.0000000000 1 d 0.86000000000E-01 1.0000000000 1 f 1.3260000000 1.0000000000 * fe x2c-TZVPall-s # fe (17s13p8d1f) / [6s6p5d1f] {842111/631111/41111/1} * 8 s 568671.58519 0.97137999007E-03 71381.692849 0.41411814136E-02 14484.269316 0.16084548427E-01 3781.8649758 0.57926529440E-01 1159.5814022 0.18495808474 398.01677326 0.45788683389 147.97287408 0.71566943363 56.187299344 0.41453867203 4 s 348.29040427 -0.26803957418E-01 105.84623454 -0.12653146758 16.838719449 0.61376734364 7.1130781143 0.62379045520 2 s 10.732361812 -0.25825839940 1.7765872891 0.80187826991 1 s 0.74629900753 1.0000000000 1 s 0.11954314891 1.0000000000 1 s 0.43144896772E-01 1.0000000000 6 p 12438.897836 0.20758391000E-03 1913.6765901 0.25548943000E-02 421.55994190 0.20688176000E-01 130.47379727 0.96976121000E-01 47.511135584 0.28767659000 18.599399475 0.47793279000 3 p 28.605360774 -0.18737660605E-01 3.9427871862 0.36189163733 1.5699529988 0.64478839452 1 p 7.4496187612 1.0000000000 1 p 0.59298398663 1.0000000000 1 p 0.22040000000 1.0000000000 1 p 0.83380000000E-01 1.0000000000 4 d 64.120451771 0.12581939088E-01 18.389498648 0.77635803102E-01 6.4193601128 0.24988552114 2.3965919355 0.44003369031 1 d 2.3960000000 1.0000000000 1 d 0.86374712586 1.0000000000 1 d 0.27955540462 1.0000000000 1 d 0.91000000000E-01 1.0000000000 1 f 1.5980000000 1.0000000000 * co x2c-TZVPall-s # co (17s13p8d1f) / [6s6p5d1f] {842111/631111/41111/1} * 8 s 634976.99060 0.81365770152E-03 79230.831693 0.34273806151E-02 15996.535902 0.13175525734E-01 4159.1149641 0.47121150214E-01 1271.1421315 0.15001706832 435.25235469 0.37208918512 161.48336450 0.58572759790 61.218712736 0.34316910010 4 s 376.93367383 -0.25558582237E-01 114.83300093 -0.11974987506 18.327013570 0.58433915179 7.7520420022 0.58765815010 2 s 11.818562491 -0.24750760326 1.9532405551 0.77177357230 1 s 0.81570876154 1.0000000000 1 s 0.12861283483 1.0000000000 1 s 0.45727396140E-01 1.0000000000 6 p 13863.171226 0.20846225000E-03 2132.7955732 0.25079884000E-02 466.51225323 0.20324174000E-01 143.70761237 0.96066297000E-01 52.180350315 0.28702151000 20.428532948 0.47852839000 3 p 31.684258158 -0.18149750230E-01 4.3552021451 0.35079176544 1.7301463021 0.61816470896 1 p 8.1877537977 1.0000000000 1 p 0.65176945757 1.0000000000 1 p 0.24210000000 1.0000000000 1 p 0.91320000000E-01 1.0000000000 4 d 68.379425568 0.12091168292E-01 19.650176878 0.73870051418E-01 6.8968126714 0.23145557243 2.5807958929 0.39376566168 1 d 2.5800000000 1.0000000000 1 d 0.92885471964 1.0000000000 1 d 0.29844771396 1.0000000000 1 d 0.98000000000E-01 1.0000000000 1 f 1.9030000000 1.0000000000 * ni x2c-TZVPall-s # ni (17s13p8d1f) / [6s6p5d1f] {842111/631111/41111/1} * 8 s 718862.22743 0.95034424492E-03 88984.058011 0.39609820792E-02 17839.800828 0.15082834179E-01 4607.2770741 0.53710734573E-01 1399.4607755 0.17107995663 476.69419156 0.42677076869 176.08831480 0.67810463398 66.549007392 0.40194297375 4 s 410.64543150 -0.26880761185E-01 124.49782319 -0.12741018502 19.964961660 0.61684826340 8.4740928720 0.62573413911 2 s 12.955690183 -0.26116454383 2.1448134411 0.81046235533 1 s 0.89378113899 1.0000000000 1 s 0.13802291465 1.0000000000 1 s 0.48489954015E-01 1.0000000000 6 p 15316.936769 0.21116314000E-03 2356.4518106 0.24804180000E-02 513.45138823 0.19978384000E-01 158.20133354 0.94300009000E-01 57.550006952 0.28326513000 22.565992294 0.47822373000 3 p 34.844457037 -0.19229557224E-01 4.8148710748 0.36651416349 1.9148245626 0.64836439935 1 p 9.0452780395 1.0000000000 1 p 0.71958705175 1.0000000000 1 p 0.26460000000 1.0000000000 1 p 0.99550000000E-01 1.0000000000 4 d 76.804075952 0.13341442903E-01 22.096936556 0.82866860945E-01 7.7589385022 0.26226950070 2.8985002488 0.44732463754 1 d 2.8980000000 1.0000000000 1 d 1.0370197802 1.0000000000 1 d 0.32990004528 1.0000000000 1 d 0.10600000000 1.0000000000 1 f 2.1740000000 1.0000000000 * cu x2c-TZVPall-s # cu (17s13p8d1f) / [6s6p5d1f] {842111/631111/41111/1} * 8 s 793381.84815 0.89247061344E-03 97536.949081 0.36902944490E-02 19424.068646 0.13948594586E-01 4991.5736727 0.49359561443E-01 1510.9624047 0.15652874364 514.24131015 0.38900974637 189.87446113 0.61933782039 71.709887908 0.36792977350 4 s 445.99661899 -0.28130106367E-01 134.83539905 -0.13406793483 21.549104284 0.65438537453 9.1359413839 0.65239044006 2 s 14.183838230 -0.27255554441 2.3090292782 0.86149410937 1 s 0.92596935601 1.0000000000 1 s 0.11576838494 1.0000000000 1 s 0.41063147460E-01 1.0000000000 6 p 17028.639365 0.21118738000E-03 2619.7906715 0.24281728000E-02 565.87530275 0.19591984000E-01 173.33066974 0.93388398000E-01 62.737186023 0.28353072000 24.526325899 0.48026126000 3 p 38.394113114 -0.20138958755E-01 5.2442689980 0.38907278096 2.0618079464 0.67944551105 1 p 9.8120044380 1.0000000000 1 p 0.75640057847 1.0000000000 1 p 0.27110000000 1.0000000000 1 p 0.99540000000E-01 1.0000000000 4 d 84.220180841 0.11933940121E-01 23.119378594 0.79761924135E-01 7.8757305041 0.25062412339 2.8397775049 0.40870078000 1 d 2.8390000000 1.0000000000 1 d 0.95861441021 1.0000000000 1 d 0.28376483588 1.0000000000 1 d 0.85000000000E-01 1.0000000000 1 f 2.2330000000 1.0000000000 * zn x2c-TZVPall-s # zn (17s13p8d1f) / [6s6p5d1f] {842111/631111/41111/1} * 8 s 857241.84072 0.86886110514E-03 104797.50456 0.35596785216E-02 20746.645977 0.13398673747E-01 5309.1098703 0.46981255644E-01 1611.2409055 0.14696649645 549.49460410 0.36371295256 203.14537888 0.57613353669 76.911665293 0.34159063153 4 s 481.15983626 -0.28903073264E-01 145.07882052 -0.13744870432 23.358845816 0.66624127832 9.9454776601 0.67245863723 2 s 15.387657053 -0.27562320093 2.5470058164 0.85315784829 1 s 1.0526715748 1.0000000000 1 s 0.15641536886 1.0000000000 1 s 0.53658368068E-01 1.0000000000 6 p 18988.364793 0.20992659847E-03 2921.2868913 0.23553420463E-02 625.87414168 0.19032364142E-01 190.70079404 0.91331608717E-01 68.936708798 0.27950586198 26.956197748 0.47988170207 3 p 41.584583699 -0.20526456744E-01 5.7837426507 0.38590051651 2.2949161129 0.68366796449 1 p 10.784411515 1.0000000000 1 p 0.85772147357 1.0000000000 1 p 0.31180000000 1.0000000000 1 p 0.11670000000 1.0000000000 4 d 91.636281776 0.14337594945E-01 26.445512688 0.89791780129E-01 9.3321027935 0.28209255940 3.4898022103 0.47349822020 1 d 3.4890000000 1.0000000000 1 d 1.2454933014 1.0000000000 1 d 0.39161930355 1.0000000000 1 d 0.12400000000 1.0000000000 1 f 2.6140000000 1.0000000000 * ga x2c-TZVPall-s # ga (17s14p8d1f) / [6s7p4d1f] {842111/6311111/5111/1} * 8 s 982125.70810 0.94169865659E-03 119341.37600 0.38140740909E-02 23544.744482 0.14101175284E-01 6002.0429403 0.49177387662E-01 1804.3304265 0.15506815277 610.05643854 0.38829788329 223.68102498 0.63082170327 83.972738097 0.38614099485 4 s 512.91954708 -0.27661828255E-01 155.24345306 -0.12988885217 25.272100930 0.62646384388 10.800339164 0.64174459616 2 s 16.641545430 -0.26183944589 2.8023450646 0.79128096685 1 s 1.2000018173 1.0000000000 1 s 0.21228534864 1.0000000000 1 s 0.75579159633E-01 1.0000000000 6 p 21202.512352 0.20747494868E-03 3261.9249773 0.22726770590E-02 695.52817132 0.18152992259E-01 212.21927200 0.87220747095E-01 76.688258285 0.27138556903 30.010474437 0.47540443103 3 p 43.744597085 -0.19854739090E-01 6.5995672944 0.32675660950 2.7746196870 0.61674508337 1 p 20.050000000 1.0000000000 1 p 12.094124369 1.0000000000 1 p 1.1211758674 1.0000000000 1 p 0.23671451861 1.0000000000 1 p 0.64332094119E-01 1.0000000000 5 d 109.29429945 0.11637887088E-01 31.656875624 0.75648066436E-01 11.250542223 0.24744420915 4.2841769018 0.43384572416 1.5847712258 0.44542486298 1 d 0.54511397781 1.0000000000 1 d 0.30622000000 1.0000000000 1 d 0.11391309000 1.0000000000 1 f 0.30996095000 1.0000000000 * ge x2c-TZVPall-s # ge (17s14p8d1f) / [6s7p4d1f] {842111/6311111/5111/1} * 8 s 1063594.6699 0.11006766716E-02 128552.34959 0.44250291835E-02 25257.312467 0.16212938472E-01 6418.2337396 0.56154302947E-01 1923.9987776 0.17632092950 649.14529499 0.43973102830 238.11069480 0.70964542292 89.613819157 0.43298513736 4 s 551.40131750 -0.26008892451E-01 166.67953016 -0.12233611734 27.155689938 0.59144170897 11.640270713 0.60516270363 2 s 17.960615704 -0.25111871834 3.0604280296 0.74764965515 1 s 1.3481123162 1.0000000000 1 s 0.27167004317 1.0000000000 1 s 0.98201158835E-01 1.0000000000 6 p 22749.091101 0.21579665000E-03 3499.8601694 0.23175011000E-02 742.37911807 0.18502765000E-01 225.80257640 0.88611971000E-01 81.659566227 0.27401323000 32.089164080 0.47462065000 3 p 47.391944635 -0.19160110079E-01 7.1724129019 0.30988398713 3.0245053940 0.58493816121 1 p 21.000000000 1.0000000000 1 p 13.010238524 1.0000000000 1 p 1.2432763369 1.0000000000 1 p 0.26703517677 1.0000000000 1 p 0.75712143468E-01 1.0000000000 5 d 125.65570958 0.10188421084E-01 36.553270158 0.67503265415E-01 13.076328275 0.22665431087 5.0274684790 0.41123643013 1.8831759263 0.43070664669 1 d 0.64224339764 1.0000000000 1 d 0.35492132000 1.0000000000 1 d 0.13155709000 1.0000000000 1 f 0.43271941000 1.0000000000 * as x2c-TZVPall-s # as (17s15p8d1f) / [6s7p4d1f] {842111/6411111/5111/1} * 8 s 1261552.8088 0.11785389558E-02 151135.66081 0.46847660503E-02 29433.861726 0.16943831356E-01 7412.7141076 0.58435273565E-01 2199.0919102 0.18446861906 734.55515668 0.47031030506 265.30938883 0.79327409782 98.258794952 0.50595152857 4 s 585.09986392 -0.33680504064E-01 177.12197441 -0.15589088495 29.404413315 0.74029146991 12.657149959 0.78512598073 2 s 19.337330023 -0.32821860634 3.3352484831 0.95883883521 1 s 1.5074348181 1.0000000000 1 s 0.33429695460 1.0000000000 1 s 0.12203763795 1.0000000000 6 p 24831.690880 0.21805501725E-03 3820.2601354 0.23055105463E-02 803.53082271 0.18340610245E-01 243.87003160 0.87812353188E-01 88.211003896 0.27223596911 34.648653440 0.47481998131 4 p 49.222212522 -0.28441477821E-01 8.3013753022 0.36164391468 4.0116089980 0.60843192101 2.2411223453 0.45443196562 1 p 22.000000000 1.0000000000 1 p 14.009843208 1.0000000000 1 p 1.2372649755 1.0000000000 1 p 0.30423244069 1.0000000000 1 p 0.87094423653E-01 1.0000000000 5 d 140.11905331 0.12648504687E-01 40.846134671 0.84743100416E-01 14.703514729 0.28698400643 5.7148804382 0.52659721541 2.1789829231 0.55215368799 1 d 0.76211925677 1.0000000000 1 d 0.42434653000 1.0000000000 1 d 0.16331527000 1.0000000000 1 f 0.43271941000 1.0000000000 * se x2c-TZVPall-s # se (17s15p8d1f) / [6s7p4d1f] {842111/6411111/5111/1} * 8 s 1315751.2291 0.15131991657E-02 157241.57866 0.59784931824E-02 30514.043842 0.21509606883E-01 7674.1394232 0.73516265440E-01 2280.2724843 0.22957206071 763.98518820 0.57645258633 277.91838511 0.95230766493 103.77045604 0.59980668593 4 s 629.34961350 -0.27771317377E-01 189.94710450 -0.12963319349 31.393827775 0.61968306381 13.550602062 0.65202433738 2 s 20.772428567 -0.27363886665 3.6208645313 0.79124180262 1 s 1.6788356391 1.0000000000 1 s 0.40250142856 1.0000000000 1 s 0.14752229582 1.0000000000 6 p 25426.037176 0.23886413413E-03 3911.6980270 0.24958931252E-02 822.45599542 0.19729738037E-01 248.71597728 0.94405713178E-01 89.485568693 0.28859377666 34.924660289 0.48583732703 4 p 55.376959917 -0.21087702617E-01 8.4162246021 0.33228833929 3.7405570910 0.59018749232 1.7082697166 0.36638932204 1 p 23.040000000 1.0000000000 1 p 13.920235134 1.0000000000 1 p 0.64238566996 1.0000000000 1 p 0.27337597444 1.0000000000 1 p 0.98476033055E-01 1.0000000000 5 d 158.15380775 0.98729601022E-02 46.245254117 0.67204527227E-01 16.712230767 0.23270371632 6.5410913700 0.43734532679 2.5310979350 0.46220789536 1 d 0.90505910010 1.0000000000 1 d 0.47683613000 1.0000000000 1 d 0.18535160000 1.0000000000 1 f 0.48866905000 1.0000000000 * br x2c-TZVPall-s # br (17s15p8d1f) / [6s7p4d1f] {842111/6411111/5111/1} * 8 s 1401727.1100 0.74566393659E-03 167143.92017 0.29224162046E-02 32348.626489 0.10424191885E-01 8116.3732218 0.35373069763E-01 2408.9215123 0.10958911104 807.66920090 0.27312499577 294.22128961 0.44884743703 110.05247347 0.28169762901 4 s 671.73244274 -0.25525427747E-01 202.73083839 -0.11882741674 33.472049824 0.57266147508 14.474308999 0.59807730060 2 s 22.264777882 -0.25560875685 3.9221411897 0.73158133299 1 s 1.8622730660 1.0000000000 1 s 0.47457284347 1.0000000000 1 s 0.17444045954 1.0000000000 6 p 25098.877432 0.27298418897E-03 3861.3657588 0.28267735242E-02 818.57995755 0.21892623710E-01 250.22444567 0.10132815521 91.257556986 0.29739583531 36.099426680 0.48209045760 4 p 59.655210174 -0.19473650702E-01 9.0233534905 0.31077496328 3.9888065927 0.55354081509 1.8208605157 0.31536038753 1 p 24.130000000 1.0000000000 1 p 14.537347198 1.0000000000 1 p 0.70533959932 1.0000000000 1 p 0.29617055242 1.0000000000 1 p 0.10985805658 1.0000000000 5 d 170.09383648 0.92621599524E-02 50.086482428 0.62174421279E-01 18.288600851 0.21358818491 7.2425634912 0.40164377086 2.8481115130 0.42232230079 1 d 1.0382071605 1.0000000000 1 d 0.56865655000 1.0000000000 1 d 0.22031490000 1.0000000000 1 f 0.57083312000 1.0000000000 * kr x2c-TZVPall-s # kr (17s15p8d1f) / [6s7p4d1f] {842111/6411111/5111/1} * 8 s 1568257.3772 0.16350553108E-02 185905.89957 0.63493524424E-02 35824.499776 0.22393956005E-01 8947.4050123 0.75372151811E-01 2644.0949298 0.23322502081 881.05406141 0.58673214906 318.65390053 0.98103822650 118.41783829 0.62982330090 4 s 717.95848674 -0.27006310068E-01 215.65454014 -0.12630829268 35.935002092 0.59948238924 15.609332714 0.64414028630 2 s 23.810302385 -0.27156281707 4.2481072608 0.76150980912 1 s 2.0591578413 1.0000000000 1 s 0.55088405378 1.0000000000 1 s 0.20299019487 1.0000000000 6 p 30046.331932 0.24460232326E-03 4622.5126049 0.24564308689E-02 959.26996556 0.19280334104E-01 288.44747299 0.92275589859E-01 103.61903162 0.28460069726 40.415480573 0.48591238702 4 p 63.676612395 -0.20957251364E-01 9.7698988298 0.32605219236 4.3865894317 0.58146855779 2.0436960839 0.34195985598 1 p 25.280000000 1.0000000000 1 p 16.123789804 1.0000000000 1 p 0.79764330700 1.0000000000 1 p 0.32834113480 1.0000000000 1 p 0.12123868870 1.0000000000 5 d 196.25356539 0.88481396691E-02 57.497648238 0.61825781491E-01 20.925020222 0.22076455491 8.2896436418 0.43066587712 3.2761398087 0.46253042067 1 d 1.2042755124 1.0000000000 1 d 0.64800000000 1.0000000000 1 d 0.25100000000 1.0000000000 1 f 0.62800000000 1.0000000000 * rb x2c-TZVPall-s # rb (20s22p11d1f) / [8s8p6d1f] {94211111/95311111/611111/1} * 9 s 3195524.7262 0.47600053389E-03 389286.72653 0.16940630953E-02 77452.862705 0.53500566773E-02 19991.901603 0.16240989323E-01 6072.1273361 0.47875472698E-01 2055.7168445 0.13152668783 749.62710598 0.29225560306 294.61505776 0.41929105106 116.82993212 0.24627447412 4 s 794.13946871 -0.27600937849E-01 229.17131102 -0.13970183944 40.534345056 0.56244612263 18.189139492 0.77815897964 2 s 25.339257394 -0.31304069885 4.9506010703 0.66757203095 1 s 2.5768783443 1.0000000000 1 s 0.67115163658 1.0000000000 1 s 0.28135296718 1.0000000000 1 s 0.34055300509E-01 1.0000000000 1 s 0.17303723873E-01 1.0000000000 9 p 388112.19853 0.18491057000E-04 59709.569005 0.11830320000E-03 9796.7110394 0.83576757000E-03 2536.5638429 0.44629969000E-02 824.34650605 0.20829335000E-01 308.41600560 0.77747093000E-01 127.57730647 0.21243397000 56.630722965 0.37890761000 26.185095321 0.36952836000 5 p 129.17747783 0.45466682404E-02 50.022032798 0.17058563004E-01 11.831711342 -0.15982212090 5.2169375802 -0.41561002298 2.2102988082 -0.24521098837 3 p 3.6728463338 0.38578768514E-02 1.2868882445 -0.21008624912E-01 0.66128816744 -0.11547860771 1 p 26.420000000 1.0000000000 1 p 11.732611998 1.0000000000 1 p 0.23931520149 1.0000000000 1 p 0.40000000000E-01 1.0000000000 1 p 0.16000000000E-01 1.0000000000 6 d 309.41775550 0.41986083439E-02 92.255320171 0.31297365538E-01 34.974562505 0.12379207346 14.817343307 0.29497172724 6.6362578142 0.40774430929 3.2016532462 0.32072719080 1 d 1.6414428306 1.0000000000 1 d 0.73277751053 1.0000000000 1 d 0.25776301407 1.0000000000 1 d 0.46866002558E-01 1.0000000000 1 d 0.13052598763E-01 1.0000000000 1 f 0.40000000000 1.0000000000 * sr x2c-TZVPall-s # sr (20s22p11d1f) / [8s8p6d1f] {94211111/95311111/611111/1} * 9 s 3879357.5899 0.45237592832E-03 458284.39406 0.16485591338E-02 87413.226983 0.53437130986E-02 21619.015675 0.16667132856E-01 6365.7433261 0.49806120605E-01 2119.9552353 0.13620234658 770.00571054 0.29853550098 303.09753869 0.41656618852 121.34410643 0.23590908002 4 s 834.05713147 -0.23078295300E-01 244.04876229 -0.11399554988 42.283933151 0.48642975337 19.103466496 0.62944731166 2 s 26.990118116 -0.24669737392 5.4529392796 0.46965467294 1 s 2.9271684954 1.0000000000 1 s 0.82351020020 1.0000000000 1 s 0.36473208008 1.0000000000 1 s 0.54871927353E-01 1.0000000000 1 s 0.23887410857E-01 1.0000000000 9 p 411693.99424 0.19527765000E-04 63337.537576 0.12341968000E-03 10412.205396 0.85302291000E-03 2703.2280163 0.44963856000E-02 879.04349917 0.20722153000E-01 329.96801223 0.76831544000E-01 136.60948766 0.21090717000 60.354919574 0.38320369000 27.811266490 0.45409889000 5 p 138.61994778 0.44160378447E-02 53.720416222 0.16288063213E-01 12.564244797 -0.15316750484 5.6058803432 -0.38860005954 2.4161405548 -0.22748538084 3 p 4.0053877882 0.50008277640E-02 1.4064746523 -0.27245887223E-01 0.75666466408 -0.12752105041 1 p 28.510000000 1.0000000000 1 p 12.446502094 1.0000000000 1 p 0.29099117663 1.0000000000 1 p 0.72000000000E-01 1.0000000000 1 p 0.25000000000E-01 1.0000000000 6 d 332.04472762 0.41942560363E-02 98.862204964 0.31296712210E-01 37.580186464 0.12370259619 15.968833526 0.29525593236 7.1635252713 0.40908181421 3.4466481943 0.31790037923 1 d 1.7558541363 1.0000000000 1 d 0.78911371545 1.0000000000 1 d 0.42240361252 1.0000000000 1 d 0.11115884540 1.0000000000 1 d 0.34512117113E-01 1.0000000000 1 f 0.50000000000 1.0000000000 * y x2c-TZVPall-s # y (20s22p12d1f) / [8s8p6d1f] {94211111/95311111/621111/1} * 9 s 4002065.2406 0.49151393868E-03 478108.74182 0.17554140306E-02 93223.266573 0.54722795924E-02 23771.243900 0.16378081594E-01 7163.4265166 0.47519075193E-01 2419.9399921 0.12870204354 884.97525392 0.28741671173 344.58194710 0.43288206775 134.94650328 0.26707296557 4 s 861.72721061 -0.35832760170E-01 254.76692604 -0.16792095168 45.375824656 0.70690358985 20.761525998 0.96342322722 2 s 28.645958946 -0.33288913247 6.3424726632 0.45752735730 1 s 3.4126393704 1.0000000000 1 s 0.92767431638 1.0000000000 1 s 0.42902831724 1.0000000000 1 s 0.66443160128E-01 1.0000000000 1 s 0.28391808014E-01 1.0000000000 9 p 449220.25693 0.20001326000E-04 69110.808759 0.12449773000E-03 11261.601276 0.85881109000E-03 2896.6460454 0.44746462000E-02 943.78536428 0.20417274000E-01 353.27173286 0.76460366000E-01 145.60258883 0.21076752000 64.411128162 0.38097083000 29.857524917 0.55873457000 5 p 142.87253008 0.40083010018E-02 57.744152672 0.15370215421E-01 13.640107011 -0.14415300090 6.1816267211 -0.37876286486 2.6967672556 -0.23366181430 3 p 4.7391667000 0.51973952806E-02 1.4962428529 -0.35995915009E-01 0.83459303078 -0.12706449933 1 p 30.180000000 1.0000000000 1 p 13.481203011 1.0000000000 1 p 0.33297224187 1.0000000000 1 p 0.95134926249E-01 1.0000000000 1 p 0.27000000000E-01 1.0000000000 6 d 364.78557814 0.41721255364E-02 108.75276057 0.31219034646E-01 41.492261666 0.12416322041 17.740929226 0.29585157517 8.0885862445 0.41124610102 3.8771983669 0.31203674651 2 d 4.0514553161 0.51827634974E-01 1.8928692764 0.26849331764 1 d 0.78749899485 1.0000000000 1 d 0.28269654950 1.0000000000 1 d 0.89804520347E-01 1.0000000000 1 d 0.28500000000E-01 1.0000000000 1 f 0.26515000000 1.0000000000 * zr x2c-TZVPall-s # zr (20s22p12d1f) / [8s8p6d1f] {94211111/95311111/621111/1} * 9 s 4359261.8039 0.49842052803E-03 517603.23817 0.17734396140E-02 100673.83557 0.54699122345E-02 25571.814263 0.16351456915E-01 7635.0974082 0.47335989671E-01 2576.9258623 0.12721241290 937.27889094 0.28587155124 364.41233949 0.42731169783 143.07851202 0.26605963190 4 s 931.14728957 -0.34714568228E-01 271.44097736 -0.16782844391 48.528280820 0.68775762590 22.460119555 0.98788186055 2 s 30.528335400 -0.34655364879 6.8671541164 0.43930707467 1 s 3.7557688894 1.0000000000 1 s 1.0533162000 1.0000000000 1 s 0.48756591539 1.0000000000 1 s 0.75308563677E-01 1.0000000000 1 s 0.31625094238E-01 1.0000000000 9 p 479502.72975 0.20888985740E-04 73769.650731 0.12877968013E-03 11964.068115 0.87615616101E-03 3086.6308434 0.44792615469E-02 1004.3698746 0.20429962409E-01 375.39642960 0.76008805636E-01 155.06775806 0.20911023456 68.490133536 0.38208839241 31.683730422 0.69978301737 5 p 155.27544848 0.40729886464E-02 62.052991290 0.15851524369E-01 14.328586447 -0.15300585485 6.4880708135 -0.38885183708 2.8420854522 -0.22415205633 3 p 4.6993760929 0.63068032539E-02 1.6630182630 -0.43591318073E-01 0.87452381657 -0.13799180971 1 p 31.940000000 1.0000000000 1 p 14.251993156 1.0000000000 1 p 0.35276611341 1.0000000000 1 p 0.10079031812 1.0000000000 1 p 0.29000000000E-01 1.0000000000 6 d 386.00267217 0.41073754180E-02 114.47273056 0.31194705300E-01 43.385215421 0.12500443284 18.538013057 0.29646093077 8.4188175550 0.41166329302 3.9834373565 0.30721601158 2 d 4.3009830226 0.51684940783E-01 1.9326274422 0.26862131100 1 d 0.84184059817 1.0000000000 1 d 0.32579138786 1.0000000000 1 d 0.11242323023 1.0000000000 1 d 0.38800000000E-01 1.0000000000 1 f 0.39261000000 1.0000000000 * nb x2c-TZVPall-s # nb (20s22p12d1f) / [8s8p6d1f] {94211111/95311111/621111/1} * 9 s 4548385.8965 0.51361246299E-03 551337.87576 0.17845234195E-02 107690.67610 0.54874431707E-02 27251.092007 0.16230665716E-01 8143.8691999 0.46779710787E-01 2725.7126388 0.12632291088 988.80530134 0.28107424747 384.91895709 0.42043748498 150.90332985 0.26289371977 4 s 997.49646842 -0.34098615566E-01 287.63152121 -0.16810370492 51.741050124 0.67581214328 24.072901521 1.0065152197 2 s 32.469690300 -0.34665677655 7.2774763316 0.43155932979 1 s 4.0672873784 1.0000000000 1 s 1.1843451995 1.0000000000 1 s 0.54405557936 1.0000000000 1 s 0.83606656713E-01 1.0000000000 1 s 0.34564686350E-01 1.0000000000 9 p 508341.15813 0.21949253000E-04 78206.332020 0.13326277000E-03 12719.296560 0.89321990000E-03 3272.2132979 0.45253992000E-02 1065.7873364 0.20345823000E-01 398.39846404 0.75922841000E-01 164.20352550 0.20871658000 72.659348809 0.38078084000 33.568029815 0.67283792000 5 p 165.75001524 0.44244749629E-02 65.016256875 0.16305092592E-01 15.190281087 -0.15462950259 6.8973611916 -0.38747967129 3.0396855199 -0.21747367080 3 p 4.8227788640 0.82103015647E-02 1.8256388370 -0.51711998323E-01 0.92743891420 -0.13750459903 1 p 33.790000000 1.0000000000 1 p 15.086399887 1.0000000000 1 p 0.38169800561 1.0000000000 1 p 0.10905657303 1.0000000000 1 p 0.30000000000E-01 1.0000000000 6 d 409.74680701 0.41208689869E-02 121.50213499 0.31218497885E-01 46.143425453 0.12500518121 19.753698814 0.29664500394 8.9725942633 0.41197169373 4.2352965202 0.30367369554 2 d 4.6148571570 0.51639065310E-01 2.0382927533 0.26861841523 1 d 0.90128025309 1.0000000000 1 d 0.35975972255 1.0000000000 1 d 0.12879884152 1.0000000000 1 d 0.46100000000E-01 1.0000000000 1 f 0.52270000000 1.0000000000 * mo x2c-TZVPall-s # mo (20s22p12d1f) / [8s8p6d1f] {94211111/95311111/621111/1} * 9 s 4656754.1017 0.55265217783E-03 562176.88248 0.19145734259E-02 110097.19639 0.58025614159E-02 27968.757432 0.17135169510E-01 8300.0784082 0.49403188199E-01 2777.9214365 0.13176095935 1010.9563823 0.28771049006 396.75989610 0.42038822178 156.56528476 0.25788274650 4 s 1033.3483758 -0.26206884406E-01 301.53341563 -0.12417793686 54.756524765 0.50583262746 25.784343064 0.76911265926 2 s 34.410136499 -0.26086827576 8.1388795223 0.26086159422 1 s 4.5020898996 1.0000000000 1 s 1.2877274433 1.0000000000 1 s 0.59887665812 1.0000000000 1 s 0.90723393971E-01 1.0000000000 1 s 0.36948512525E-01 1.0000000000 9 p 548328.33210 0.22678268000E-04 84358.204938 0.13552592000E-03 13672.964678 0.90341442000E-03 3469.6059238 0.46026920000E-02 1128.0547436 0.20258065000E-01 423.97109135 0.74977330000E-01 174.38513693 0.20844092000 76.947507381 0.38092116000 35.618406678 1.0939375000 5 p 179.69611484 0.43907034332E-02 69.695034486 0.16697125298E-01 16.179890032 -0.15254457008 7.4501586434 -0.38461917102 3.3298647266 -0.22194612978 3 p 5.4729018295 0.90874150528E-02 2.0069442326 -0.67700766312E-01 1.0368566491 -0.19545946529 1 p 35.760000000 1.0000000000 1 p 15.993855023 1.0000000000 1 p 0.41285068322 1.0000000000 1 p 0.11795733806 1.0000000000 1 p 0.33000000000E-01 1.0000000000 6 d 435.60416423 0.41247709330E-02 129.15351117 0.31257652585E-01 49.152198929 0.12531362634 21.071406862 0.29701745619 9.5904066379 0.41196318719 4.5301339086 0.30135704862 2 d 4.9435746716 0.51639930326E-01 2.1615991797 0.26847553972 1 d 0.95974180272 1.0000000000 1 d 0.38459440078 1.0000000000 1 d 0.13563618126 1.0000000000 1 d 0.47800000000E-01 1.0000000000 1 f 0.65545000000 1.0000000000 * tc x2c-TZVPall-s # tc (20s22p12d1f) / [8s8p6d1f] {94211111/95311111/621111/1} * 9 s 4965336.3646 0.56602115871E-03 606208.59256 0.19236399551E-02 119154.80633 0.58315798565E-02 29889.763987 0.17175143478E-01 8851.6969523 0.49206758540E-01 2941.9315741 0.13126999248 1068.0939511 0.28576101922 417.78183564 0.41843937502 164.83621929 0.25636552836 4 s 1092.1157536 -0.26212405762E-01 318.21138289 -0.12363736752 57.738797912 0.50807834108 27.231697628 0.77058426603 2 s 36.434104859 -0.26099468578 8.5684292641 0.25989104179 1 s 4.8265632681 1.0000000000 1 s 1.4156818455 1.0000000000 1 s 0.65196305020 1.0000000000 1 s 0.97013678238E-01 1.0000000000 1 s 0.39005947311E-01 1.0000000000 9 p 594312.36286 0.23099367028E-04 91432.671209 0.13765275080E-03 14617.832917 0.91165813181E-03 3694.8069281 0.46064008714E-02 1198.8563127 0.20124065593E-01 451.23122557 0.74307507544E-01 185.46071513 0.20671098787 81.953034604 0.37898288915 38.071212884 -0.27968739002 5 p 192.63158039 0.41180823851E-02 74.655800140 0.16430298101E-01 17.210664788 -0.14790988393 7.9873137100 -0.37627580896 3.5847488252 -0.21785634672 3 p 5.6170573237 0.11941630101E-01 2.2028379440 -0.76014744322E-01 1.1151762188 -0.19653730926 1 p 37.840000000 1.0000000000 1 p 17.028668827 1.0000000000 1 p 0.45802206582 1.0000000000 1 p 0.13086344738 1.0000000000 1 p 0.35000000000E-01 1.0000000000 6 d 465.42570553 0.41311646186E-02 138.15070071 0.31266599995E-01 52.640939562 0.12543712711 22.592169204 0.29744786864 10.288070204 0.41157941766 4.8565809788 0.29591758678 2 d 5.3659647217 0.51704743150E-01 2.3091518556 0.26788856867 1 d 1.0302203548 1.0000000000 1 d 0.42395661488 1.0000000000 1 d 0.15516361134 1.0000000000 1 d 0.56800000000E-01 1.0000000000 1 f 0.79085000000 1.0000000000 * ru x2c-TZVPall-s # ru (20s22p12d1f) / [8s8p6d1f] {94211111/95311111/621111/1} * 9 s 5443914.1185 0.57202822414E-03 656050.68957 0.19692895938E-02 126127.86015 0.59985233041E-02 31414.410643 0.17505182696E-01 9280.4864030 0.49715827834E-01 3085.6897305 0.13187880745 1116.6044969 0.28705084795 436.62746077 0.41574593053 172.80471279 0.25405873571 4 s 1156.2201001 -0.24638232584E-01 335.67716146 -0.11668059067 61.428000848 0.47056838202 29.253277752 0.75208951920 2 s 38.584576250 -0.23500986795 9.2304552122 0.21566478062 1 s 5.2121561981 1.0000000000 1 s 1.5394589518 1.0000000000 1 s 0.70917029705 1.0000000000 1 s 0.10493661412 1.0000000000 1 s 0.41601837621E-01 1.0000000000 9 p 640811.09620 0.23850007765E-04 98586.322492 0.13885883859E-03 15760.782107 0.92046315622E-03 3926.6949364 0.46193793765E-02 1276.4226470 0.19829918581E-01 484.17057347 0.71433785974E-01 201.26879084 0.19882038901 88.551294799 0.37882395264 40.781239493 0.97991661806E-01 5 p 198.35092667 0.46721055382E-02 78.209152576 0.17529206910E-01 18.213701158 -0.16035033344 8.4283131043 -0.40790108433 3.7796783563 -0.22596272158 3 p 6.0619579117 0.12714400653E-01 2.3744645256 -0.87641906732E-01 1.1576630432 -0.21418230906 1 p 40.050000000 1.0000000000 1 p 18.032261722 1.0000000000 1 p 0.47161793518 1.0000000000 1 p 0.13474798148 1.0000000000 1 p 0.37000000000E-01 1.0000000000 6 d 488.06720764 0.41531584778E-02 144.68028916 0.31344493773E-01 55.112062495 0.12581280841 23.695684899 0.29801490320 10.809148634 0.41140570309 5.1156468128 0.29061318799 2 d 5.6785708287 0.51873206961E-01 2.4394275931 0.26723505326 1 d 1.0858897105 1.0000000000 1 d 0.44639147683 1.0000000000 1 d 0.16257892155 1.0000000000 1 d 0.59200000000E-01 1.0000000000 1 f 0.94314000000 1.0000000000 * rh x2c-TZVPall-s # rh (20s22p12d1f) / [8s8p6d1f] {94211111/95311111/621111/1} * 9 s 5545731.7000 0.61061294478E-03 667900.68116 0.20849775626E-02 129694.42145 0.62125751499E-02 32800.676797 0.17750992535E-01 9780.5109439 0.49820814810E-01 3269.0787538 0.13083507968 1184.4928203 0.28508088519 462.98605626 0.41503961670 182.82829416 0.25794398649 4 s 1264.9870141 -0.23627385291E-01 358.51901097 -0.11817030416 64.707479188 0.47331295177 31.172703217 0.77551268611 2 s 40.709942508 -0.22706739105 10.148901213 0.17959968714 1 s 5.6317374477 1.0000000000 1 s 1.6535902877 1.0000000000 1 s 0.76473760229 1.0000000000 1 s 0.11135513475 1.0000000000 1 s 0.43576566207E-01 1.0000000000 9 p 661239.86994 0.25385444605E-04 101729.21076 0.14773049532E-03 16317.229132 0.95145180783E-03 4137.4390434 0.46383175832E-02 1345.8893014 0.20021451357E-01 505.09300878 0.73532641090E-01 207.95379657 0.20371017515 91.914831496 0.37804013149 42.520514807 -0.81601276150 5 p 216.45420405 0.43868040284E-02 83.310448473 0.17383882021E-01 19.109192035 -0.16002217378 8.8621734103 -0.39790392074 3.9930404745 -0.21352645795 3 p 6.5392198648 0.11634457647E-01 2.4988940938 -0.91671628282E-01 1.2277712599 -0.19985097395 1 p 42.390000000 1.0000000000 1 p 18.972249436 1.0000000000 1 p 0.50706674138 1.0000000000 1 p 0.14487621182 1.0000000000 1 p 0.37000000000E-01 1.0000000000 6 d 515.48171461 0.41745198822E-02 153.08696712 0.31422419339E-01 58.308515209 0.12624767113 25.127408169 0.29852052609 11.496140860 0.41113706371 5.4684866918 0.28631185157 2 d 6.0854114395 0.52015369610E-01 2.6123494114 0.26604151947 1 d 1.1550383218 1.0000000000 1 d 0.47271909315 1.0000000000 1 d 0.17248476283 1.0000000000 1 d 0.62900000000E-01 1.0000000000 1 f 1.0949900000 1.0000000000 * pd x2c-TZVPall-s # pd (20s22p12d1f) / [8s8p6d1f] {94211111/95311111/621111/1} * 9 s 6283681.6823 0.60363523499E-03 753192.35422 0.20652569621E-02 144404.50193 0.61521254048E-02 36251.319575 0.17326871699E-01 10841.469710 0.47741155613E-01 3633.5191099 0.12487708724 1316.2498510 0.27531576359 508.98735099 0.42068658091 197.58231424 0.27448432966 4 s 1299.2888448 -0.24593119628E-01 374.36542698 -0.11794607124 67.892629782 0.48841549628 33.215936440 0.81079403039 2 s 43.179785242 -0.22112807897 10.960909977 0.14589968976 1 s 6.1030588293 1.0000000000 1 s 1.7641644620 1.0000000000 1 s 0.82073045649 1.0000000000 1 s 0.11774629813 1.0000000000 1 s 0.45576641991E-01 1.0000000000 9 p 674623.48447 0.27416239599E-04 103788.22838 0.15736763900E-03 16872.138420 0.99088922107E-03 4297.3841009 0.47902760198E-02 1389.2914679 0.20788946905E-01 521.04533626 0.75065481892E-01 215.64243157 0.20601326207 94.961127845 0.38489024667 43.447057159 0.45512602528 5 p 227.19703337 0.42478960436E-02 89.115719386 0.15700212457E-01 19.481415281 -0.16131951005 9.1138970186 -0.36026702844 4.1973595794 -0.18537706396 3 p 7.1328397016 0.11600938004E-01 2.6458709512 -0.10592283774 1.3042359299 -0.21703683354 1 p 44.860000000 1.0000000000 1 p 19.270503729 1.0000000000 1 p 0.54075548813 1.0000000000 1 p 0.15450156804 1.0000000000 1 p 0.37000000000E-01 1.0000000000 6 d 545.12513938 0.41839145528E-02 161.72545178 0.31426019086E-01 61.737208636 0.12633059308 26.630947552 0.29857739865 12.207029778 0.41084748292 5.8116399277 0.28378276582 2 d 6.4532247293 0.52190733896E-01 2.7710099746 0.26487711946 1 d 1.2163011014 1.0000000000 1 d 0.49515400959 1.0000000000 1 d 0.17854779123 1.0000000000 1 d 0.64400000000E-01 1.0000000000 1 f 1.2462900000 1.0000000000 * ag x2c-TZVPall-s # ag (20s22p12d1f) / [8s8p6d1f] {94211111/95311111/621111/1} * 9 s 6459458.4820 0.63478536947E-03 785998.23749 0.21240720686E-02 152855.62797 0.62367201642E-02 38304.544058 0.17612703304E-01 11342.794338 0.48820739596E-01 3751.6031355 0.12849831265 1350.2502900 0.27952643303 522.37629371 0.42000912832 203.20699339 0.26599193975 4 s 1323.1510400 -0.26177213191E-01 388.05967590 -0.11831066534 71.512351176 0.50076637483 35.521244185 0.86302872958 2 s 45.553961968 -0.20939642970 12.162178859 0.11101922782 1 s 6.5822900689 1.0000000000 1 s 1.9151324655 1.0000000000 1 s 0.87660645416 1.0000000000 1 s 0.12324893050 1.0000000000 1 s 0.47186707906E-01 1.0000000000 9 p 723025.80324 0.28041835000E-04 111234.73896 0.16220915000E-03 17869.234241 0.99547315000E-03 4601.0229452 0.47713084000E-02 1462.5282220 0.21075772000E-01 547.66136100 0.74529930000E-01 228.75554575 0.20135139000 101.71988380 0.37672674000 47.350289063 2.6125823000 5 p 230.68125987 -0.83259952757E-02 90.155471764 -0.28114786016E-01 21.286309480 0.25848338781 9.9263803427 0.64252602963 4.4856167563 0.33483581847 3 p 6.2168096307 -0.45798779455E-01 2.9297418125 0.30088683686 1.3591240463 0.56224727432 1 p 47.470000000 1.0000000000 1 p 21.084411062 1.0000000000 1 p 0.55696588070 1.0000000000 1 p 0.15913310877 1.0000000000 1 p 0.41200000000E-01 1.0000000000 6 d 573.43582423 0.42022306715E-02 170.55988929 0.31544755410E-01 65.189587211 0.12678938815 28.182739218 0.29937520806 12.950668098 0.41162504884 6.1823808374 0.28138896897 2 d 6.9525206077 0.52129825540E-01 2.9666829093 0.26527654808 1 d 1.3074437959 1.0000000000 1 d 0.54356744873 1.0000000000 1 d 0.19634289891 1.0000000000 1 d 0.70900000000E-01 1.0000000000 1 f 1.3971100000 1.0000000000 * cd x2c-TZVPall-s # cd (20s22p12d1f) / [8s8p6d1f] {94211111/95311111/621111/1} * 9 s 6650513.5148 0.66492189691E-03 819636.39325 0.21921743047E-02 160197.81733 0.63931984620E-02 40131.188685 0.17924439809E-01 11849.217358 0.49476934463E-01 3926.9288179 0.12846121521 1413.8117123 0.27924270924 548.43245824 0.41566761129 214.40893570 0.26692730183 4 s 1437.3538598 -0.23749734300E-01 413.14461333 -0.11158474924 74.962813105 0.48145600641 37.790848164 0.83867718316 2 s 48.496566906 -0.17528109359 12.642464941 0.83771687963E-01 1 s 7.0673224474 1.0000000000 1 s 2.0066722177 1.0000000000 1 s 0.93254161855 1.0000000000 1 s 0.12825216355 1.0000000000 1 s 0.48652764161E-01 1.0000000000 9 p 749652.58180 0.29724271550E-04 115331.16643 0.16866830317E-03 18621.776612 0.10401953755E-02 4744.5282423 0.49107492219E-02 1533.3214919 0.20966770711E-01 575.14067791 0.75323182366E-01 237.64656745 0.20607618270 105.00355259 0.38242832896 48.335017762 0.45423256701 5 p 250.74592476 0.40282240109E-02 99.335231433 0.15357104982E-01 21.749750288 -0.15856899346 10.230927002 -0.35809788809 4.7378273340 -0.18067735691 3 p 8.1422804389 0.11299204841E-01 2.9816746939 -0.11710034442 1.4152995687 -0.20946357524 1 p 50.230000000 1.0000000000 1 p 21.531033319 1.0000000000 1 p 0.62465158449 1.0000000000 1 p 0.16000000000 1.0000000000 1 p 0.51600000000E-01 1.0000000000 6 d 601.47417124 0.42636323983E-02 181.28630558 0.31431669236E-01 69.455003726 0.12675815744 30.101008827 0.29795712101 13.877756594 0.40985731044 6.6242500036 0.27800436377 2 d 7.4705669919 0.52756744289E-01 3.1642374501 0.26198929644 1 d 1.3774960480 1.0000000000 1 d 0.57110089016 1.0000000000 1 d 0.21277632935 1.0000000000 1 d 0.79300000000E-01 1.0000000000 1 f 1.5981300000 1.0000000000 * in x2c-TZVPall-s # in (20s22p12d2f) / [8s8p5d2f] {94211111/95311111/63111/11} * 9 s 9104299.9246 0.85599352323E-03 1096100.3147 0.29063171436E-02 204564.44675 0.86692846201E-02 48757.683696 0.24961845772E-01 13750.979214 0.70529677097E-01 4382.0296380 0.18843237808 1532.2391605 0.41866902692 580.70694674 0.63486024852 224.08665396 0.40322846028 4 s 1536.4586393 -0.36678212140E-01 442.43859357 -0.17474741332 74.824511480 0.83437954540 34.429482645 1.0242019189 2 s 50.522023278 -0.58225456294 10.653298074 0.81039787983 1 s 6.8532672192 1.0000000000 1 s 2.4360920764 1.0000000000 1 s 1.0453105917 1.0000000000 1 s 0.16232967521 1.0000000000 1 s 0.64291073617E-01 1.0000000000 9 p 792626.35088 0.30875513475E-04 121942.51552 0.17333587625E-03 19675.719118 0.10596500695E-02 4995.9708000 0.49485679853E-02 1616.5828631 0.20905100598E-01 606.04740956 0.74979588544E-01 250.25914791 0.20491527727 110.62613805 0.38153960028 50.820934043 0.44356957069 5 p 267.50693032 0.40257986872E-02 104.89954281 0.15502949276E-01 22.777551240 -0.16089832137 10.738969195 -0.35739792314 4.9854864846 -0.17636382429 3 p 8.9649000482 0.11682781914E-01 3.1494542677 -0.12943322780 1.5358277629 -0.21827824274 1 p 53.060000000 1.0000000000 1 p 22.567936139 1.0000000000 1 p 0.68563270374 1.0000000000 1 p 0.18006065922 1.0000000000 1 p 0.52507245297E-01 1.0000000000 6 d 613.35201855 0.51812093300E-02 178.99348940 0.40219415034E-01 66.589517810 0.16772762168 27.610427265 0.40141995780 11.819629264 0.52142008198 5.0125424268 0.25084404251 3 d 6.4318967152 0.43767011080E-01 2.6009651200 0.16860208786 1.0166187712 0.20794854039 1 d 12.550000000 1.0000000000 1 d 0.35990719925 1.0000000000 1 d 0.10000000000 1.0000000000 1 f 0.90000000000 1.0000000000 1 f 0.26415991000 1.0000000000 * sn x2c-TZVPall-s # sn (20s22p12d2f) / [8s8p5d2f] {94211111/95311111/63111/11} * 9 s 9501472.1691 0.88284659081E-03 1147122.8636 0.29810087931E-02 214412.73035 0.88160116046E-02 51108.304222 0.25207421118E-01 14414.714540 0.70455410668E-01 4603.2914229 0.18673203381 1609.7968313 0.41331506850 610.27127094 0.62756526527 235.20381455 0.40262977589 4 s 1615.0569624 -0.36485645298E-01 464.16812987 -0.17311054446 78.592825209 0.83011312867 36.276410187 1.0307073978 2 s 53.203081853 -0.57695587393 11.035578155 0.81733849693 1 s 7.3131119603 1.0000000000 1 s 2.6265536150 1.0000000000 1 s 1.1623872219 1.0000000000 1 s 0.19743962180 1.0000000000 1 s 0.80062587077E-01 1.0000000000 9 p 841675.68160 0.31871630708E-04 129488.56640 0.17760224104E-03 20823.814956 0.10756368744E-02 5275.8658949 0.49715298709E-02 1705.6816732 0.20810721443E-01 639.16272297 0.74508565105E-01 263.74811609 0.20352146085 116.71053647 0.37972814635 53.654081334 0.45849344047 5 p 280.80683655 0.40260658274E-02 110.36982669 0.15707269957E-01 23.978417573 -0.16377149557 11.316319821 -0.36316562932 5.2619509585 -0.17716906687 3 p 10.160915873 0.14880116075E-01 3.3285951388 -0.14535166475 1.6132276112 -0.23612512259 1 p 55.740000000 1.0000000000 1 p 23.801398497 1.0000000000 1 p 0.73241068126 1.0000000000 1 p 0.23202803302 1.0000000000 1 p 0.71516624099E-01 1.0000000000 6 d 651.92022550 0.52246654081E-02 190.03302657 0.40575085285E-01 70.715597971 0.17034153779 29.316475660 0.41062983327 12.573444613 0.53383290531 5.3612591679 0.25496743659 3 d 6.8759801922 0.45682095923E-01 2.8075691528 0.17131062758 1.1227091866 0.20327696235 1 d 12.600000000 1.0000000000 1 d 0.41670734416 1.0000000000 1 d 0.12000000000 1.0000000000 1 f 1.0000000000 1.0000000000 1 f 0.29392848500 1.0000000000 * sb x2c-TZVPall-s # sb (20s22p12d2f) / [8s8p5d2f] {94211111/95311111/63111/11} * 9 s 9967464.7310 0.91045034881E-03 1206402.1170 0.30633668410E-02 225378.23130 0.89753878462E-02 53855.687116 0.25405109393E-01 15187.299998 0.70496998904E-01 4842.9092307 0.18608595624 1691.0931203 0.40968974529 641.77893041 0.62263821979 246.95881468 0.40480812607 4 s 1714.3813140 -0.36123038107E-01 488.30191377 -0.17352142031 82.514473496 0.83153842346 38.213136724 1.0468399529 2 s 55.908517283 -0.58273438219 11.512664293 0.82246616749 1 s 7.7920046274 1.0000000000 1 s 2.8120151009 1.0000000000 1 s 1.2830430486 1.0000000000 1 s 0.23367878127 1.0000000000 1 s 0.96334264797E-01 1.0000000000 9 p 882765.65045 0.33236374021E-04 135810.10007 0.18366245741E-03 21844.681190 0.11010201592E-02 5534.8119816 0.50228038896E-02 1790.1066311 0.20878570531E-01 670.85317067 0.74250744975E-01 277.04312727 0.20272933542 122.42563006 0.38037484573 56.190075737 0.45819783608 5 p 300.24461254 -0.33927163119E-02 116.80987039 -0.13581459036E-01 25.071287019 0.14123402454 11.906138343 0.30842412531 5.5760221729 0.15040703642 3 p 11.027330386 -0.14545139167E-01 3.4860068731 0.16315065542 1.6843746962 0.25084796168 1 p 58.560000000 1.0000000000 1 p 24.878294292 1.0000000000 1 p 0.77010098395 1.0000000000 1 p 0.29272990914 1.0000000000 1 p 0.94999321920E-01 1.0000000000 6 d 694.08516121 0.52676500733E-02 201.33559048 0.41021798126E-01 74.947635097 0.17312217741 31.085751903 0.42014098649 13.347943187 0.54804912338 5.7166468671 0.25922709637 3 d 7.3497457604 0.47294867051E-01 3.0357544824 0.17237469930 1.2444054175 0.19888751744 1 d 12.650000000 1.0000000000 1 d 0.48070336591 1.0000000000 1 d 0.14000000000 1.0000000000 1 f 1.1000000000 1.0000000000 1 f 0.32369706000 1.0000000000 * te x2c-TZVPall-s # te (20s22p12d2f) / [8s8p5d2f] {94211111/95311111/63111/11} * 9 s 10462411.378 0.73393276612E-03 1286542.5025 0.24291677802E-02 242179.25858 0.70754649644E-02 57596.597321 0.19947069299E-01 16132.113580 0.55472036497E-01 5098.2214084 0.14604830660 1770.7046787 0.32260377502 665.78343691 0.49048454954 255.62864858 0.31246127769 4 s 1796.3997163 -0.28556642363E-01 513.46301424 -0.13628864228 85.896476577 0.67458875968 40.017889878 0.83147050947 2 s 58.921851143 -0.46464063114 11.878275777 0.63952414032 1 s 8.4213393377 1.0000000000 1 s 3.2534401775 1.0000000000 1 s 1.4072565516 1.0000000000 1 s 0.27109332724 1.0000000000 1 s 0.11248255664 1.0000000000 9 p 964433.31114 0.33348231248E-04 148374.35556 0.18283055591E-03 23580.352662 0.10980364401E-02 5886.9887446 0.50278330628E-02 1880.6831849 0.21102161609E-01 698.82513678 0.74987938954E-01 288.67971923 0.20287715574 127.98361905 0.37788341290 59.425086997 0.50677556788 5 p 307.58176159 0.37840166404E-02 120.71721721 0.14660913981E-01 26.893880303 -0.14314649720 12.968452026 -0.33157948537 6.1051013419 -0.17568662792 3 p 9.7239911530 0.14578657558E-01 4.0236558873 -0.12178734729 1.9604367171 -0.21908066411 1 p 61.520000000 1.0000000000 1 p 26.601821539 1.0000000000 1 p 0.90830529741 1.0000000000 1 p 0.30312566683 1.0000000000 1 p 0.97620531993E-01 1.0000000000 6 d 764.52330834 0.41772522126E-02 223.06216935 0.32807918452E-01 83.259442766 0.14004395078 34.893442082 0.34642562454 15.192023256 0.47904693183 6.5495655986 0.25819282369 3 d 9.2287448999 0.29167123905E-01 3.9004801052 0.14065563097 1.6162965198 0.20313111229 1 d 12.700000000 1.0000000000 1 d 0.60845127593 1.0000000000 1 d 0.16000000000 1.0000000000 1 f 1.8500000000 1.0000000000 1 f 0.38255757000 1.0000000000 * i x2c-TZVPall-s # i (20s22p12d2f) / [8s8p5d2f] {94211111/95311111/63111/11} * 9 s 10973513.236 0.75503886793E-03 1352923.2074 0.24884394436E-02 254340.60588 0.71971043333E-02 60509.001411 0.20127753449E-01 16930.455084 0.55525984669E-01 5351.7288256 0.14512812383 1857.9141787 0.31928518029 698.74926438 0.48580454580 267.95985952 0.31312858026 4 s 1897.3439590 -0.28232946383E-01 538.61963485 -0.13563456499 90.187888971 0.66902502447 42.127598993 0.84103216923 2 s 61.709283822 -0.46718916251 12.414370054 0.63978032849 1 s 8.9314197627 1.0000000000 1 s 3.4783556259 1.0000000000 1 s 1.5346521902 1.0000000000 1 s 0.31029699699 1.0000000000 1 s 0.12945856303 1.0000000000 9 p 1008421.7237 0.34794300127E-04 155141.80364 0.18924758683E-03 24696.725059 0.11237371828E-02 6159.0061610 0.51016266139E-02 1969.5375793 0.21107637782E-01 733.91742339 0.74591371133E-01 302.62988033 0.20248624228 134.08086671 0.37761699152 62.003434657 0.47246254106 5 p 334.23675738 0.36820365509E-02 127.89255004 0.14844696325E-01 27.958099836 -0.14443269719 13.564005866 -0.32579570802 6.4247139004 -0.17185785563 3 p 9.8627015980 0.15885766528E-01 4.2230007790 -0.13788947879 2.0438399474 -0.23099530584 1 p 64.630000000 1.0000000000 1 p 27.645930935 1.0000000000 1 p 0.95877961613 1.0000000000 1 p 0.35841318618 1.0000000000 1 p 0.11441016563 1.0000000000 6 d 810.37656435 0.40856212530E-02 235.43639447 0.32094617846E-01 87.836407351 0.13750754362 36.801397547 0.34236226815 16.055319409 0.47262755454 6.9727502391 0.25334734195 3 d 9.7354217429 0.30154589866E-01 4.1288659230 0.14224764886 1.7247136535 0.19607179688 1 d 12.750000000 1.0000000000 1 d 0.66522010426 1.0000000000 1 d 0.17000000000 1.0000000000 1 f 2.1800000000 1.0000000000 1 f 0.44141808000 1.0000000000 * xe x2c-TZVPall-s # xe (20s22p12d2f) / [8s8p5d2f] {94211111/95311111/63111/11} * 9 s 11471770.114 0.77194459103E-03 1416338.1476 0.25360429404E-02 266646.17231 0.72727661203E-02 63432.883673 0.20190522054E-01 17746.505865 0.55227798223E-01 5608.6901939 0.14339364324 1947.1752633 0.31381450381 732.45536329 0.47799750381 280.63948326 0.31138005648 4 s 1984.5015088 -0.27987702152E-01 563.09360523 -0.13321253651 94.410614174 0.66283622737 44.194120477 0.84160573043 2 s 64.782127441 -0.46460734160 12.876298987 0.63698879759 1 s 9.4885287979 1.0000000000 1 s 3.6847037497 1.0000000000 1 s 1.6649102847 1.0000000000 1 s 0.35100213942 1.0000000000 1 s 0.14709450585 1.0000000000 9 p 1064372.3489 0.35914011385E-04 163749.59214 0.19426466291E-03 26006.788900 0.11402619294E-02 6496.7870724 0.51042283581E-02 2078.9738744 0.20909522065E-01 774.20602279 0.73853233508E-01 319.14836349 0.19991735443 141.79089863 0.37404558691 65.761823526 0.53684827662 5 p 349.60471641 0.35028881063E-02 134.56312930 0.14628438872E-01 29.465997785 -0.14221809371 14.309017552 -0.32770529553 6.7564969409 -0.17176335700 3 p 11.134587255 0.14248453356E-01 4.4006093118 -0.14292009571 2.1547393815 -0.23526936225 1 p 67.890000000 1.0000000000 1 p 29.169447994 1.0000000000 1 p 1.0116008186 1.0000000000 1 p 0.36543129522 1.0000000000 1 p 0.11451082679 1.0000000000 6 d 855.73834109 0.40429387144E-02 248.23389745 0.31722224167E-01 92.670507190 0.13648119016 38.826652054 0.34198197962 16.956746982 0.47276004556 7.4038507313 0.25081302505 3 d 10.334846377 0.31309891841E-01 4.4564472206 0.14300836358 1.9299549418 0.19341784531 1 d 12.800000000 1.0000000000 1 d 0.79160764569 1.0000000000 1 d 0.18000000000 1.0000000000 1 f 2.5000000000 1.0000000000 1 f 0.49652793000 1.0000000000 * cs x2c-TZVPall-s # cs (24s25p14d4f) / [11s9p7d1f] {*5111111111/854311111/6311111/4} * 10 s 22530700.051 0.41410821252E-03 3142942.7945 0.12982241639E-02 639341.07764 0.33903957703E-02 159845.68947 0.86769501663E-02 45250.865406 0.22402779786E-01 14491.289324 0.54968751848E-01 5066.9165944 0.13247808418 1869.1802178 0.28104248589 719.25581023 0.41129417224 278.58628526 0.25487918021 5 s 4442.1823105 -0.62519663695E-02 1233.4476542 -0.42698621124E-01 462.78686072 -0.98702496799E-01 124.21179204 0.27138831919 39.121017955 0.40480591376 1 s 67.260910414 1.0000000000 1 s 12.574681489 1.0000000000 1 s 7.0719741140 1.0000000000 1 s 3.9508235274 1.0000000000 1 s 1.7203030809 1.0000000000 1 s 0.49110256893 1.0000000000 1 s 0.22303279464 1.0000000000 1 s 0.46805344794E-01 1.0000000000 1 s 0.19838760161E-01 1.0000000000 8 p 784656.63172 0.50289275408E-04 120716.40488 0.28297366805E-03 19255.828291 0.17438257319E-02 4785.6385252 0.83271790307E-02 1516.4863754 0.35653411372E-01 549.07225229 0.12604585394 220.49346058 0.31230522620 93.821458273 0.45437906099 5 p 2628.1352450 0.55816757289E-03 171.65995153 -0.19986317577E-01 29.576393933 0.30530037335 14.130622975 0.61214920627 6.6017222112 0.28062132197 4 p 192.60233952 -0.34616859365E-02 4.2029575689 0.49593999581 2.1021012598 0.57568557042 1.0779340258 0.20579553085 3 p 1.7267895250 -0.44880188478E-01 0.84832588465 0.17391361553 0.35165479609 0.57821745916 1 p 65.510000000 1.0000000000 1 p 40.064174495 1.0000000000 1 p 0.13426350200 1.0000000000 1 p 0.48600144683E-01 1.0000000000 1 p 0.17592078473E-01 1.0000000000 6 d 987.86473004 0.33078234310E-02 285.29622393 0.26471837700E-01 105.84765802 0.11958059910 43.979008730 0.31909843307 19.095751839 0.46974233843 8.3073977589 0.27288008164 3 d 12.304420369 0.59997548674E-01 5.3062796259 0.34741187500 2.2527176625 0.54828036995 1 d 13.820000000 1.0000000000 1 d 0.88380750494 1.0000000000 1 d 0.25251642998 1.0000000000 1 d 0.62419809739E-01 1.0000000000 1 d 0.15987870156E-01 1.0000000000 4 f 9.0000000000 0.31000000000E-01 2.9000000000 0.87000000000E-01 0.90000000000 0.17800000000 0.29000000000 0.26100000000 * ba x2c-TZVPall-s # ba (24s25p14d4f) / [11s9p7d1f] {*5111111111/854311111/6311111/4} * 10 s 22977368.463 0.43274972433E-03 3278607.3738 0.13344546086E-02 667091.85547 0.35184256613E-02 165828.66771 0.88883227000E-02 47529.496330 0.22389469206E-01 15215.102712 0.55521140316E-01 5323.8466741 0.13113185774 1969.8369605 0.27915392013 755.14884217 0.41104239646 292.02669303 0.25716018125 5 s 4731.1552670 -0.62629453288E-02 1297.5498566 -0.42410860756E-01 488.15313133 -0.98011323981E-01 129.60943436 0.26782591078 40.644994985 0.40764155504 1 s 70.598616447 1.0000000000 1 s 12.959646797 1.0000000000 1 s 7.2877193244 1.0000000000 1 s 4.0713515779 1.0000000000 1 s 1.8344718785 1.0000000000 1 s 0.56914455027 1.0000000000 1 s 0.26435195561 1.0000000000 1 s 0.46007105331E-01 1.0000000000 1 s 0.19767217432E-01 1.0000000000 8 p 800213.90800 0.53507127870E-04 123109.83200 0.29778532856E-03 19714.504297 0.18123355956E-02 4892.4405095 0.86338221199E-02 1554.3993961 0.36282417603E-01 566.96386111 0.12646846963 228.32342627 0.31193506523 97.363664509 0.45100365982 5 p 2675.8938226 0.57651031263E-03 179.86766186 -0.20201122303E-01 30.983965044 0.30514737907 14.862802839 0.61393302625 6.9696018166 0.28306254827 4 p 201.15663975 -0.36451465914E-02 4.5247826759 0.47244696967 2.3798851029 0.55403476358 1.2572732192 0.25340985423 3 p 1.7340756749 -0.46422422096E-01 0.82362891783 0.27855719828 0.37321165761 0.64329975574 1 p 68.020000000 1.0000000000 1 p 41.701060564 1.0000000000 1 p 0.15372540922 1.0000000000 1 p 0.50088010270E-01 1.0000000000 1 p 0.16320065666E-01 1.0000000000 6 d 1031.6921436 0.32996063389E-02 296.97275202 0.26530723069E-01 110.00898357 0.11968280522 45.834642118 0.31626396396 20.013064339 0.46293363560 8.7529613702 0.26741183380 3 d 12.640806251 0.67941476466E-01 5.5376903429 0.36551584264 2.4002514863 0.55432956361 1 d 14.710000000 1.0000000000 1 d 0.96523124042 1.0000000000 1 d 0.33283835877 1.0000000000 1 d 0.10389100000 1.0000000000 1 d 0.35578000000E-01 1.0000000000 4 f 10.000000000 0.73000000000E-01 3.2000000000 0.21000000000 1.0000000000 0.35000000000 0.32000000000 0.36000000000 * la x2c-TZVPall-s # la (24s25p15d5f) / [11s9p8d2f] {*5111111111/854311111/63111111/41} * 10 s 23719586.111 0.45024155771E-03 3409158.3313 0.13836677711E-02 695446.35032 0.36255025523E-02 173031.41386 0.91049694068E-02 49594.670063 0.22791553139E-01 15833.091578 0.56363137191E-01 5521.9981706 0.13240791206 2043.0193424 0.27958391479 783.85010890 0.41001717897 303.27998154 0.25649021987 5 s 4910.9417378 -0.63588293511E-02 1347.0332059 -0.42634223641E-01 507.88310965 -0.97034809494E-01 135.45803943 0.26769496950 42.307125504 0.40840460467 1 s 73.749087422 1.0000000000 1 s 13.444747073 1.0000000000 1 s 7.5602114902 1.0000000000 1 s 4.1205263870 1.0000000000 1 s 1.9415974324 1.0000000000 1 s 0.59021329764 1.0000000000 1 s 0.28152018530 1.0000000000 1 s 0.49916763876E-01 1.0000000000 1 s 0.20303579994E-01 1.0000000000 8 p 899932.78343 0.52376756000E-04 138451.19745 0.28636569000E-03 22043.642021 0.17355314000E-02 5405.4926829 0.82249180000E-02 1686.7583020 0.35395494000E-01 606.05548551 0.12472816000 242.50258212 0.31085198000 102.99636961 0.45613794000 5 p 2790.2108908 0.58684335958E-03 186.74166471 -0.20209613072E-01 32.526376138 0.30257183115 15.662316338 0.61177417812 7.3900604818 0.28728511285 4 p 209.10183993 -0.36249633628E-02 4.6998190887 0.52326886152 2.3336952079 0.59833917627 1.1864130071 0.17605358393 3 p 2.0696740384 -0.38894749547E-01 0.83180822348 0.35234248612 0.39056305112 0.64676011569 1 p 70.630000000 1.0000000000 1 p 44.050907031 1.0000000000 1 p 0.16407606767 1.0000000000 1 p 0.61300000000E-01 1.0000000000 1 p 0.20400000000E-01 1.0000000000 6 d 1183.8499818 0.27775202048E-02 343.22314671 0.21915863948E-01 129.52903474 0.98239936959E-01 55.270350257 0.27017392367 24.944231172 0.43182562578 11.595237886 0.31417574941 3 d 15.866667293 0.32335714393E-01 8.3022827312 0.16157640194 4.5623765175 0.36002823745 1 d 15.660000000 1.0000000000 1 d 2.3091020799 1.0000000000 1 d 1.0403225855 1.0000000000 1 d 0.33672353262 1.0000000000 1 d 0.10148079151 1.0000000000 1 d 0.30600000000E-01 1.0000000000 4 f 11.000000000 0.75000000000E-01 3.5000000000 0.30000000000 1.1000000000 0.33000000000 0.35000000000 0.39000000000 1 f 0.25683000000 1.0000000000 * ce x2c-TZVPall-s # ce (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 24383917.123 0.46959150040E-03 3539913.8710 0.14312304984E-02 727994.95386 0.37093546560E-02 181775.70586 0.92513211636E-02 52233.161544 0.22951709154E-01 16689.831496 0.56391682595E-01 5809.9007815 0.13206738229 2145.5265581 0.27852234234 820.40638489 0.41031397903 316.87128773 0.25829013082 5 s 5056.7543843 -0.65909926729E-02 1379.7788054 -0.43890250242E-01 519.99009744 -0.96644361890E-01 144.25110404 0.25793410564 43.588308158 0.40047943418 1 s 77.177003997 1.0000000000 1 s 13.700675430 1.0000000000 1 s 7.3135255068 1.0000000000 1 s 4.1128334409 1.0000000000 1 s 2.0414622320 1.0000000000 1 s 0.62226860536 1.0000000000 1 s 0.29320491958 1.0000000000 1 s 0.52713386028E-01 1.0000000000 1 s 0.21500588700E-01 1.0000000000 8 p 932825.06610 0.54658568000E-04 143511.54863 0.29938567000E-03 22615.763580 0.18186858000E-02 5539.0190378 0.84862065000E-02 1734.2130269 0.35980335000E-01 626.05723333 0.12537545000 251.34040451 0.31050454000 106.88754558 0.45536961000 5 p 2965.0575814 0.56563887948E-03 196.22339873 -0.20389116743E-01 33.908121121 0.30409662001 16.392555312 0.61193869719 7.7452103075 0.28610086144 4 p 218.01507300 -0.35983544867E-02 4.9860225917 0.51279003918 2.5512313161 0.56935275607 1.3596670623 0.21348183737 3 p 2.0620356266 -0.52187207457E-01 0.99044415341 0.27172632978 0.46689326091 0.66351630463 1 p 45.698701443 1.0000000000 1 p 0.19425745355 1.0000000000 1 p 0.66985328810E-01 1.0000000000 1 p 0.34898392874E-01 1.0000000000 6 d 1241.7069591 0.28143218511E-02 358.94565625 0.22230377327E-01 135.35478030 0.99906697934E-01 57.706215283 0.27554376313 26.034581738 0.43957515690 12.117445904 0.31584453666 3 d 16.396665273 0.36467749319E-01 8.5001719133 0.17376396324 4.7451231408 0.35681117484 1 d 16.670000000 1.0000000000 1 d 2.4313266823 1.0000000000 1 d 1.0983276522 1.0000000000 1 d 0.35383709150 1.0000000000 1 d 0.10698241902 1.0000000000 1 d 0.32300000000E-01 1.0000000000 5 f 92.009022710 0.63690407327E-02 31.728665683 0.37180863035E-01 13.021557033 0.11651301716 5.9035697600 0.22399090990 2.7928860050 0.28768077765 1 f 1.3155523595 1.0000000000 1 f 0.57066280682 1.0000000000 1 f 0.21305487665 1.0000000000 1 g 0.37110000000 1.0000000000 * pr x2c-TZVPall-s # pr (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 25353443.403 0.48545994080E-03 3711475.5602 0.14755857338E-02 763523.17483 0.38167484165E-02 190242.49558 0.94764086638E-02 54530.472895 0.23376030186E-01 17363.693147 0.57211491551E-01 6040.8065913 0.13266443347 2233.4655997 0.27839953216 853.57755463 0.41009954360 329.20305218 0.25865790859 5 s 5421.9762814 -0.63856779166E-02 1465.4260122 -0.42801045469E-01 548.24580772 -0.95866902469E-01 149.64803512 0.25947885837 45.509427151 0.40234018381 1 s 80.415517970 1.0000000000 1 s 14.366871444 1.0000000000 1 s 7.6635418267 1.0000000000 1 s 4.3080774423 1.0000000000 1 s 2.1478700467 1.0000000000 1 s 0.65135032103 1.0000000000 1 s 0.30662327790 1.0000000000 1 s 0.53357576462E-01 1.0000000000 1 s 0.21089181026E-01 1.0000000000 8 p 985313.34785 0.56150992000E-04 151586.66890 0.30461320000E-03 23874.169645 0.18301731000E-02 5828.0042879 0.85081702000E-02 1820.6726630 0.35933613000E-01 654.44960581 0.12553085000 262.14709657 0.31075150000 111.58926683 0.45493893000 5 p 3034.8069600 0.59126548339E-03 202.26437557 -0.20144710119E-01 35.512064836 0.30309693964 17.199280560 0.61049760371 8.1481497857 0.28845937268 4 p 226.38081926 -0.35489945426E-02 5.2208038433 0.52832545647 2.5771226295 0.59891489783 1.2949525909 0.17066040438 3 p 2.1484440842 -0.48434885094E-01 1.0399927656 0.26758458790 0.47487013286 0.66050764437 1 p 47.852854344 1.0000000000 1 p 0.19330314768 1.0000000000 1 p 0.66656257821E-01 1.0000000000 1 p 0.35682474433E-01 1.0000000000 6 d 1278.5869983 0.28560302902E-02 369.85504388 0.22413029787E-01 139.60321875 0.10002359313 59.687648690 0.27334308223 27.010336293 0.43297798663 12.586306763 0.30763300298 3 d 16.564697615 0.41476193457E-01 8.6307140070 0.18128461714 4.8368294920 0.35309506337 1 d 17.740000000 1.0000000000 1 d 2.4982001103 1.0000000000 1 d 1.1323065954 1.0000000000 1 d 0.36491187018 1.0000000000 1 d 0.10934070514 1.0000000000 1 d 0.32800000000E-01 1.0000000000 5 f 103.78762460 0.58119335789E-02 35.656617732 0.35438687637E-01 14.626201979 0.11447541064 6.5969720419 0.22944926498 3.0708965466 0.30472847782 1 f 1.4144127458 1.0000000000 1 f 0.60914775462 1.0000000000 1 f 0.23241302361 1.0000000000 1 g 0.40950000000 1.0000000000 * nd x2c-TZVPall-s # nd (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 25883422.866 0.50725014770E-03 3827677.4143 0.15321354004E-02 792086.34180 0.39287654828E-02 198277.91587 0.96674581649E-02 56966.797406 0.23679392681E-01 18165.205904 0.57460439825E-01 6323.7531327 0.13255079475 2333.0132919 0.27786064724 890.33525583 0.40935257098 342.72394474 0.25962493628 5 s 5581.4967286 -0.66279399784E-02 1507.4075025 -0.43691221752E-01 564.77336248 -0.95120209411E-01 157.53775454 0.25551744382 47.125787656 0.40005410190 1 s 83.928477818 1.0000000000 1 s 15.020683476 1.0000000000 1 s 7.9612578698 1.0000000000 1 s 4.4744842536 1.0000000000 1 s 2.2461150150 1.0000000000 1 s 0.68460842351 1.0000000000 1 s 0.32004322233 1.0000000000 1 s 0.55619216279E-01 1.0000000000 1 s 0.22204544773E-01 1.0000000000 8 p 1048721.9052 0.57322434000E-04 161341.83157 0.30887793000E-03 25344.140494 0.18411843000E-02 6158.3716533 0.84497883000E-02 1913.6751536 0.35628457000E-01 687.18842536 0.12396433000 274.73567817 0.30864808000 116.61491345 0.45545565000 5 p 3161.5964394 0.58988635720E-03 212.79310406 -0.19994824118E-01 37.041662814 0.30204389460 18.012677426 0.60855004970 8.5438512547 0.28915941566 4 p 234.81011029 -0.36647700276E-02 5.4925423944 0.55217013862 2.6999900806 0.62490636668 1.3438130297 0.17312320329 3 p 2.3007027190 -0.45669995805E-01 1.0772710671 0.27653343223 0.50571183442 0.67586931858 1 p 49.872718424 1.0000000000 1 p 0.20903997522 1.0000000000 1 p 0.72082750076E-01 1.0000000000 1 p 0.32216083150E-01 1.0000000000 6 d 1345.7081068 0.28378370644E-02 388.41700429 0.22239454963E-01 146.48615663 0.99727988945E-01 62.615470653 0.27348306529 28.371085174 0.43442856305 13.239732955 0.30929540566 3 d 17.539960047 0.40819912753E-01 9.1762489172 0.18199993059 5.1168438073 0.36101394414 1 d 18.890000000 1.0000000000 1 d 2.6257183896 1.0000000000 1 d 1.1862203761 1.0000000000 1 d 0.38393214083 1.0000000000 1 d 0.11472556734 1.0000000000 1 d 0.34300000000E-01 1.0000000000 5 f 117.65966656 0.51485112566E-02 40.511374781 0.32624663655E-01 16.624145815 0.10995469863 7.4103606430 0.23478634102 3.3700577609 0.32190441874 1 f 1.5177919238 1.0000000000 1 f 0.64773919229 1.0000000000 1 f 0.24450908305 1.0000000000 1 g 0.43120000000 1.0000000000 * pm x2c-TZVPall-s # pm (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 26660615.972 0.52610251002E-03 3981103.9854 0.15819595634E-02 827719.62114 0.40314426069E-02 207500.47839 0.98701864773E-02 59522.847501 0.24042687070E-01 18957.350887 0.58077487439E-01 6576.6749216 0.13329739981 2426.0445147 0.27729282869 926.02825250 0.40857820830 356.36047101 0.25980775859 5 s 5979.1856775 -0.63674772881E-02 1604.1029420 -0.42117562552E-01 597.40272736 -0.93806067175E-01 162.66132461 0.25625401819 49.462170329 0.40639470423 1 s 87.644305227 1.0000000000 1 s 15.592854462 1.0000000000 1 s 8.0044545854 1.0000000000 1 s 4.4940027360 1.0000000000 1 s 2.3513261891 1.0000000000 1 s 0.71281417761 1.0000000000 1 s 0.33041988206 1.0000000000 1 s 0.57503320105E-01 1.0000000000 1 s 0.23081922465E-01 1.0000000000 8 p 1083756.1057 0.58851638000E-04 166731.70857 0.32878297000E-03 26144.516796 0.19276488000E-02 6348.9914369 0.88332251000E-02 1977.3906706 0.36753718000E-01 712.17398680 0.12673929000 285.42034269 0.31417301000 121.31383879 0.46433046000 5 p 3361.1735513 0.57815316640E-03 221.95080597 -0.20049877336E-01 38.594144943 0.30287523740 18.812138981 0.60758160861 8.9487459530 0.28941410311 4 p 244.69110587 -0.35104861166E-02 5.7916516499 0.53014106294 2.8379679906 0.60905678488 1.3951360434 0.16705840238 3 p 2.4985936531 -0.42802877709E-01 1.1276028421 0.26220799244 0.52665013995 0.66853728444 1 p 51.897053739 1.0000000000 1 p 0.21643105788 1.0000000000 1 p 0.74631399269E-01 1.0000000000 1 p 0.29345374972E-01 1.0000000000 6 d 1437.5516022 0.25450952417E-02 433.41632401 0.19732314854E-01 161.92336630 0.91784755625E-01 68.502874711 0.26361135120 30.700659512 0.43650825957 14.169285483 0.32063611090 3 d 18.813016714 0.37678530657E-01 9.8250837010 0.18141315394 5.3919665926 0.36884019529 1 d 20.100000000 1.0000000000 1 d 2.7469430798 1.0000000000 1 d 1.2349509743 1.0000000000 1 d 0.39528634188 1.0000000000 1 d 0.11681439385 1.0000000000 1 d 0.34500000000E-01 1.0000000000 5 f 125.06297070 0.50956543934E-02 43.264674482 0.32536187186E-01 17.655836704 0.11275030172 7.8179158533 0.24052323321 3.5561499895 0.32374925840 1 f 1.6101646461 1.0000000000 1 f 0.69281308652 1.0000000000 1 f 0.26594799639 1.0000000000 1 g 0.45190000000 1.0000000000 * sm x2c-TZVPall-s # sm (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 27303611.695 0.54863708507E-03 4136876.7719 0.16319359973E-02 862718.19490 0.41518329614E-02 216142.13800 0.10101053030E-01 62025.180758 0.24437211980E-01 19752.024529 0.58401799231E-01 6879.2053457 0.13298421763 2536.8708995 0.27668255213 965.82200551 0.40834236457 370.88386985 0.26128073401 5 s 6224.6458539 -0.64718936117E-02 1662.7708325 -0.42377100200E-01 618.33547975 -0.93005207281E-01 170.27592329 0.25551712410 51.603551343 0.40743771278 1 s 91.338618939 1.0000000000 1 s 16.295205031 1.0000000000 1 s 8.3715614026 1.0000000000 1 s 4.7045880846 1.0000000000 1 s 2.4456887772 1.0000000000 1 s 0.74676779077 1.0000000000 1 s 0.34307537815 1.0000000000 1 s 0.59560538130E-01 1.0000000000 1 s 0.24161292123E-01 1.0000000000 8 p 1109069.3693 0.63080719000E-04 170626.05681 0.33655846000E-03 26820.453068 0.19732285000E-02 6531.9098139 0.88569542000E-02 2045.1830896 0.36299360000E-01 738.59557257 0.12451602000 296.10796718 0.30816581000 125.92159660 0.45458797000 5 p 3523.7636301 0.57695154945E-03 231.34614913 -0.19990563848E-01 40.237911071 0.30246052916 19.658743953 0.60662834674 9.3827726392 0.29003524208 4 p 254.59188258 -0.35145733443E-02 6.1694161171 0.50278101148 3.1399231814 0.58238000772 1.6372262513 0.21565937135 3 p 2.3997275167 -0.51891465268E-01 1.2280044036 0.25816419634 0.55156515615 0.67096028983 1 p 53.954682026 1.0000000000 1 p 0.22328452274 1.0000000000 1 p 0.76994663014E-01 1.0000000000 1 p 0.27281849214E-01 1.0000000000 6 d 1479.6672340 0.27984894894E-02 424.84630656 0.21975978335E-01 159.83939394 0.99007546185E-01 68.267655453 0.27318375615 30.932617986 0.43511610176 14.431152587 0.30708254280 3 d 19.067362161 0.43205356378E-01 9.9900293934 0.18936458744 5.5409420325 0.36634917067 1 d 21.400000000 1.0000000000 1 d 2.8414717118 1.0000000000 1 d 1.2797764714 1.0000000000 1 d 0.40661964341 1.0000000000 1 d 0.11909140757 1.0000000000 1 d 0.34900000000E-01 1.0000000000 5 f 145.11291796 0.43242839267E-02 48.922149165 0.30845285248E-01 19.646430321 0.11205067557 8.6025905127 0.24809392852 3.8608998008 0.34131266744 1 f 1.7203598649 1.0000000000 1 f 0.73379074554 1.0000000000 1 f 0.28258218391 1.0000000000 1 g 0.46380000000 1.0000000000 * eu x2c-TZVPall-s # eu (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 27757048.148 0.57403907255E-03 4244753.5380 0.16945036697E-02 891771.12820 0.42832690404E-02 223918.32556 0.10367048635E-01 64410.250757 0.24814139049E-01 20553.513031 0.58973619367E-01 7149.9373654 0.13348900038 2635.1947747 0.27655064788 1002.7330708 0.40708230472 384.63736941 0.26148707300 5 s 6443.4570985 -0.66216466007E-02 1712.3731751 -0.42924753291E-01 636.14118541 -0.92130668512E-01 179.74885794 0.24997941091 53.237666576 0.39993962875 1 s 94.936099631 1.0000000000 1 s 17.165714319 1.0000000000 1 s 9.0918846653 1.0000000000 1 s 5.1125942594 1.0000000000 1 s 2.5465110842 1.0000000000 1 s 0.79688730816 1.0000000000 1 s 0.36302628117 1.0000000000 1 s 0.62051228211E-01 1.0000000000 1 s 0.25235012572E-01 1.0000000000 8 p 1210271.7656 0.62268507990E-04 186195.65625 0.33327473528E-03 28819.257480 0.19469425862E-02 6915.0189434 0.88759571002E-02 2144.4335241 0.36259182731E-01 770.56046389 0.12442344915 308.25073072 0.30792881098 130.94651091 0.45490509342 5 p 3691.2812263 0.58337562149E-03 240.14389550 -0.20065060130E-01 42.007653990 0.30190329429 20.571104426 0.60809689026 9.8099045392 0.29335994728 4 p 263.15041667 -0.35017257926E-02 6.4262321323 0.51636023443 3.1824409958 0.60162273389 1.5902392637 0.18301696764 3 p 2.4884429317 -0.54492316557E-01 1.3133197646 0.24962846970 0.58364910676 0.68397213587 1 p 56.118779437 1.0000000000 1 p 0.23277460681 1.0000000000 1 p 0.80267105797E-01 1.0000000000 1 p 0.27117030486E-01 1.0000000000 6 d 1570.5577454 0.27145395031E-02 449.35179396 0.21431486999E-01 168.55925246 0.97455443569E-01 71.825464102 0.27162219750 32.502038888 0.43587170102 15.155663707 0.30910968260 3 d 20.181577842 0.41650544200E-01 10.607392806 0.18883466350 5.8322010271 0.37437463554 1 d 22.770000000 1.0000000000 1 d 2.9670604161 1.0000000000 1 d 1.3318554033 1.0000000000 1 d 0.41889142699 1.0000000000 1 d 0.12125786821 1.0000000000 1 d 0.35100000000E-01 1.0000000000 5 f 149.35634378 0.44629347242E-02 50.620523273 0.31213325252E-01 20.493750518 0.11158422691 9.0387791475 0.24422454467 4.0740051027 0.33347708523 1 f 1.8227868374 1.0000000000 1 f 0.77911800825 1.0000000000 1 f 0.30019622338 1.0000000000 1 g 0.47520000000 1.0000000000 * gd x2c-TZVPall-s # gd (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 28349129.385 0.59813817920E-03 4377342.9486 0.17599883288E-02 929062.20366 0.43852760009E-02 235168.77351 0.10524517189E-01 67680.918497 0.25089593778E-01 21571.712560 0.59308521702E-01 7484.1260040 0.13362343545 2755.2234000 0.27600941138 1045.6812211 0.40760452400 400.12936547 0.26339575390 5 s 7116.8610797 -0.61497239115E-02 1859.6304357 -0.40519818254E-01 682.00239886 -0.91485510969E-01 183.59475723 0.25576237473 56.005060657 0.41190478297 1 s 98.945001325 1.0000000000 1 s 17.904733841 1.0000000000 1 s 9.5637375848 1.0000000000 1 s 5.3771721391 1.0000000000 1 s 2.6733554200 1.0000000000 1 s 0.82916828147 1.0000000000 1 s 0.37713066587 1.0000000000 1 s 0.63529477196E-01 1.0000000000 1 s 0.25859826976E-01 1.0000000000 8 p 1264546.4094 0.64624029865E-04 194545.60144 0.34166317114E-03 30220.007352 0.19644942432E-02 7303.1663301 0.88048385075E-02 2260.5530188 0.35883295289E-01 809.58738011 0.12331904470 322.83020947 0.30686015607 136.77337416 0.45683336702 5 p 3899.2448307 0.57872568441E-03 250.19788008 -0.20029143527E-01 43.712819976 0.30219092310 21.442992946 0.60762418608 10.236765483 0.29365106741 4 p 273.06653720 -0.35236875958E-02 6.7604578660 0.51198605482 3.3533358457 0.60370484894 1.6843567822 0.18961133660 3 p 2.6456756862 -0.50902057785E-01 1.3680282928 0.24404144584 0.60087351070 0.68701250849 1 p 58.491644056 1.0000000000 1 p 0.23856327819 1.0000000000 1 p 0.82263199376E-01 1.0000000000 1 p 0.28325755449E-01 1.0000000000 6 d 1593.0714223 0.28822328287E-02 458.00956036 0.22239396371E-01 173.11409282 0.99173084832E-01 74.308909153 0.27312855963 33.822610125 0.43651486125 15.836571240 0.30933208361 3 d 21.489362982 0.39788766121E-01 11.310241344 0.18859572968 6.1637598312 0.38457116679 1 d 24.240000000 1.0000000000 1 d 3.1159333634 1.0000000000 1 d 1.3914986346 1.0000000000 1 d 0.43481975857 1.0000000000 1 d 0.12478344150 1.0000000000 1 d 0.35800000000E-01 1.0000000000 5 f 158.70829457 0.44563651941E-02 53.810286008 0.31451247057E-01 21.799596389 0.11342649047 9.6344492400 0.24843273333 4.3581166072 0.33916764723 1 f 1.9484589493 1.0000000000 1 f 0.82360917975 1.0000000000 1 f 0.30966931535 1.0000000000 1 g 0.47570000000 1.0000000000 * tb x2c-TZVPall-s # tb (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 29037754.682 0.62080859996E-03 4528606.5197 0.18198642169E-02 962290.39869 0.45250841087E-02 243488.84422 0.10779227792E-01 70199.925498 0.25510454351E-01 22387.329191 0.59888518164E-01 7767.6097490 0.13400950986 2862.5475517 0.27483060414 1087.3030355 0.40537572564 415.87269915 0.26396979748 5 s 7202.2389322 -0.64405961832E-02 1894.1423243 -0.41366940169E-01 698.47204834 -0.90386766027E-01 194.72145137 0.24763585056 57.753016613 0.40390605240 1 s 102.96010642 1.0000000000 1 s 18.671356264 1.0000000000 1 s 10.132010034 1.0000000000 1 s 5.6908580590 1.0000000000 1 s 2.7770145703 1.0000000000 1 s 0.87154347657 1.0000000000 1 s 0.39098553184 1.0000000000 1 s 0.66128841655E-01 1.0000000000 1 s 0.26977340710E-01 1.0000000000 8 p 1294730.7600 0.67995916000E-04 199189.34770 0.35659340000E-03 31079.606303 0.20428684000E-02 7511.8102854 0.89730785000E-02 2329.4740264 0.36311296000E-01 834.90178809 0.12383956000 333.43474612 0.30622116000 141.53976773 0.45433816000 5 p 4139.8107796 0.57150700000E-03 260.93610435 -0.20031524979E-01 45.323630811 0.30578434788 22.247742069 0.60786279920 10.650570408 0.29197721949 4 p 282.68140753 -0.35150829011E-02 7.1073524891 0.50456108149 3.5563047275 0.59955152184 1.8036199385 0.20198217532 3 p 2.8259747775 -0.45995759428E-01 1.3997497215 0.24345675284 0.62159126159 0.67815710870 1 p 60.633161776 1.0000000000 1 p 0.24628676636 1.0000000000 1 p 0.84926471159E-01 1.0000000000 1 p 0.29116323886E-01 1.0000000000 6 d 1693.0269472 0.27705637615E-02 484.89153312 0.21561913178E-01 182.33279220 0.97581264578E-01 77.872160758 0.27206789097 35.361338750 0.43644376595 16.541780017 0.30954029976 3 d 22.290500862 0.40590017525E-01 11.771359091 0.18962507401 6.4044803130 0.38419504099 1 d 25.800000000 1.0000000000 1 d 3.2333191410 1.0000000000 1 d 1.4406296280 1.0000000000 1 d 0.43673915915 1.0000000000 1 d 0.12209006123 1.0000000000 1 d 0.34100000000E-01 1.0000000000 5 f 160.07874827 0.49483869712E-02 52.283796431 0.33798665828E-01 21.704887112 0.11391388051 9.7965364595 0.23776005716 4.5050681982 0.31732347351 1 f 2.0368790400 1.0000000000 1 f 0.86699095442 1.0000000000 1 f 0.32588659193 1.0000000000 1 g 0.47760000000 1.0000000000 * dy x2c-TZVPall-s # dy (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 29798813.021 0.64609677335E-03 4695895.8218 0.18808871287E-02 998400.59482 0.46749041849E-02 252998.22284 0.11029917145E-01 73128.143075 0.25878272630E-01 23359.049121 0.60367819488E-01 8110.3054131 0.13419667425 2982.9231326 0.27410969673 1133.8414785 0.40511974229 432.57626935 0.26546697593 5 s 7629.9765922 -0.63559207013E-02 2012.5503605 -0.39967298216E-01 737.85704667 -0.89594587784E-01 200.43084243 0.24879042926 60.663066903 0.41629739024 1 s 107.62038986 1.0000000000 1 s 19.419109445 1.0000000000 1 s 10.294835861 1.0000000000 1 s 5.7899221181 1.0000000000 1 s 2.9007334715 1.0000000000 1 s 0.90538044961 1.0000000000 1 s 0.40746918229 1.0000000000 1 s 0.68975609064E-01 1.0000000000 1 s 0.28626334809E-01 1.0000000000 8 p 1372771.3953 0.69287288000E-04 211195.59928 0.36014609000E-03 32927.359736 0.20502245000E-02 7883.7688579 0.90309887000E-02 2426.6182792 0.36469264000E-01 868.20572799 0.12372393000 346.53245922 0.30594315000 146.98492691 0.45481530000 5 p 4265.4134018 0.57432451972E-03 270.26381810 -0.19859593441E-01 47.319234928 0.30066021653 23.265085926 0.60475463159 11.135006966 0.29311785034 4 p 291.70770426 -0.35708295040E-02 7.4163174856 0.51618418466 3.6671833053 0.61330707476 1.8323338115 0.19307443454 3 p 2.8904388456 -0.50900208693E-01 1.5071715074 0.23381946739 0.66078691453 0.68441078393 1 p 62.970193250 1.0000000000 1 p 0.26022529705 1.0000000000 1 p 0.89732861052E-01 1.0000000000 1 p 0.32387494996E-01 1.0000000000 6 d 1793.6565604 0.26937241842E-02 511.75966663 0.21023963772E-01 191.83922820 0.96096229891E-01 81.691213640 0.27059368449 37.062195746 0.43664133204 17.341802776 0.31115268235 3 d 22.873087025 0.44293159778E-01 12.069285016 0.19643654078 6.6602792138 0.37745160999 1 d 27.460000000 1.0000000000 1 d 3.4054508095 1.0000000000 1 d 1.5202915341 1.0000000000 1 d 0.45381141043 1.0000000000 1 d 0.12433235290 1.0000000000 1 d 0.34100000000E-01 1.0000000000 5 f 166.13126681 0.48248588108E-02 56.633333211 0.33182617206E-01 23.169406474 0.11553527938 10.384938672 0.24234273401 4.7628146734 0.32174478893 1 f 2.1503079234 1.0000000000 1 f 0.91273349316 1.0000000000 1 f 0.34123974937 1.0000000000 1 g 0.47820000000 1.0000000000 * ho x2c-TZVPall-s # ho (24s25p15d8f1g) / [11s9p8d4f1g] # {*5111111111/854311111/63111111/5111/1} * 10 s 30665374.125 0.66695471846E-03 4895948.2993 0.19386599630E-02 1050837.3977 0.47658287331E-02 266278.76404 0.11250169585E-01 76845.559930 0.26218913848E-01 24489.070973 0.60786144743E-01 8459.8494420 0.13512331601 3106.3269192 0.27484876838 1177.0152475 0.40496960964 449.39639997 0.26738683755 5 s 7931.4428438 -0.65012808265E-02 2062.9540658 -0.41639923229E-01 758.91395632 -0.89618339118E-01 212.99194519 0.24193617465 62.170129827 0.41282007533 1 s 111.79560111 1.0000000000 1 s 20.085848751 1.0000000000 1 s 10.408086826 1.0000000000 1 s 5.8445952034 1.0000000000 1 s 2.8986852103 1.0000000000 1 s 0.89005737804 1.0000000000 1 s 0.40024972043 1.0000000000 1 s 0.71739741553E-01 1.0000000000 1 s 0.29402884127E-01 1.0000000000 8 p 1482656.6258 0.69033058229E-04 228101.01935 0.35992096374E-03 35137.158765 0.20338351281E-02 8359.3029774 0.89738163701E-02 2561.2112267 0.36072206784E-01 910.46609243 0.12318055619 361.78057659 0.30541635406 153.15183730 0.45640813385 5 p 4474.3792479 0.56389120441E-03 281.65682206 -0.20022067678E-01 49.036380826 0.30557667261 24.143269547 0.60828263889 11.576198496 0.29432830931 4 p 301.86445103 -0.35271226558E-02 7.8265880455 0.49062342009 3.9718699429 0.58993778863 2.0434455994 0.22431999653 3 p 3.0206586049 -0.45894143382E-01 1.5399070185 0.22608423905 0.68956994737 0.65278925439 1 p 102.89000000 1.0000000000 1 p 65.520483330 1.0000000000 1 p 0.27321141746 1.0000000000 1 p 0.94210833607E-01 1.0000000000 1 p 0.38623978525E-01 1.0000000000 6 d 1844.7814682 0.27871573414E-02 527.76862601 0.21502263613E-01 198.48802324 0.97398372591E-01 84.848163250 0.27301874739 38.605610951 0.44077530105 18.126277426 0.31353513996 3 d 24.327558659 0.43274993682E-01 12.866617783 0.19755692505 7.1130943232 0.39095056285 1 d 29.230000000 1.0000000000 1 d 3.6185615081 1.0000000000 1 d 1.6037544992 1.0000000000 1 d 0.47027114517 1.0000000000 1 d 0.12774649728 1.0000000000 1 d 0.34700000000E-01 1.0000000000 5 f 171.69748056 0.49321674004E-02 58.758874336 0.33460197436E-01 24.181400080 0.11575293621 10.879946094 0.24114731797 5.0028781306 0.31886369645 1 f 2.2593141386 1.0000000000 1 f 0.95842954854 1.0000000000 1 f 0.35729266508 1.0000000000 1 g 0.49850000000 1.0000000000 * er x2c-TZVPall-s # er (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 31494576.874 0.68229952547E-03 5150565.5438 0.19596927498E-02 1119713.4706 0.47912253558E-02 284478.18953 0.11257762984E-01 81683.909434 0.26358614983E-01 25805.813962 0.60968590765E-01 8879.6835699 0.13441741823 3251.6160604 0.27353864902 1224.3270253 0.40505684077 465.50582609 0.26747718217 5 s 8265.2733962 -0.64851036690E-02 2137.1876236 -0.41245179773E-01 780.59388497 -0.87933999408E-01 223.06707709 0.23867232120 64.293683624 0.40200810841 1 s 115.77717568 1.0000000000 1 s 21.103737394 1.0000000000 1 s 11.032938337 1.0000000000 1 s 6.1962463519 1.0000000000 1 s 3.1213357060 1.0000000000 1 s 0.94936532395 1.0000000000 1 s 0.42958726214 1.0000000000 1 s 0.73587501561E-01 1.0000000000 1 s 0.30199725379E-01 1.0000000000 8 p 1482524.8404 0.74004115923E-04 228080.74468 0.38299547789E-03 35285.899221 0.21473422590E-02 8460.4791270 0.93248500081E-02 2610.3897608 0.36860360219E-01 932.91277445 0.12438007934 372.05786939 0.30600584160 157.83164461 0.45497683558 5 p 4809.8077614 0.55201649792E-03 292.11257509 -0.19990397975E-01 51.073658704 0.30189934288 25.193201504 0.60649411976 12.082097861 0.29610508424 4 p 312.43553207 -0.34948162429E-02 8.0928237982 0.51174383246 3.9754378166 0.61384229662 1.9526179550 0.18818082652 3 p 3.2558043922 -0.43124669962E-01 1.6246362238 0.20958804753 0.72451514638 0.65101535938 1 p 67.677470466 1.0000000000 1 p 0.28407104309 1.0000000000 1 p 0.97955532100E-01 1.0000000000 1 p 0.26118405217E-01 1.0000000000 6 d 1921.6463666 0.27567833572E-02 546.33138092 0.21402107287E-01 204.69900189 0.97267601778E-01 87.363193975 0.27224597801 39.694203465 0.43739730147 18.594280576 0.30593655280 3 d 25.280774856 0.41866004910E-01 13.344202897 0.19491142515 7.2542062108 0.38736855174 1 d 31.110000000 1.0000000000 1 d 3.6614254702 1.0000000000 1 d 1.6248025571 1.0000000000 1 d 0.47305563789 1.0000000000 1 d 0.12716548248 1.0000000000 1 d 0.34200000000E-01 1.0000000000 5 f 192.52305717 0.44397111576E-02 65.820079211 0.31540282175E-01 27.001261120 0.11457661414 12.019016525 0.25119793880 5.4535550268 0.34258854958 1 f 2.4194059826 1.0000000000 1 f 1.0050863955 1.0000000000 1 f 0.37072966394 1.0000000000 1 g 0.50180000000 1.0000000000 * tm x2c-TZVPall-s # tm (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 32096917.553 0.71632368020E-03 5253141.3638 0.20558003239E-02 1142402.4745 0.49768036623E-02 291857.36041 0.11596810061E-01 84236.050586 0.26786295782E-01 26752.601651 0.61463371092E-01 9235.3669878 0.13433340189 3384.6164724 0.27265902807 1273.5498802 0.40420290348 482.97184576 0.26887430889 5 s 8541.3130693 -0.65815242789E-02 2203.9321971 -0.41467479331E-01 796.95227603 -0.86993346835E-01 234.26785584 0.23580688553 66.676251852 0.39993966095 1 s 120.36672849 1.0000000000 1 s 21.915624190 1.0000000000 1 s 11.643864233 1.0000000000 1 s 6.5432893433 1.0000000000 1 s 3.2584661877 1.0000000000 1 s 1.0234638323 1.0000000000 1 s 0.45340303764 1.0000000000 1 s 0.76911790735E-01 1.0000000000 1 s 0.31641731103E-01 1.0000000000 8 p 1568939.5052 0.75353539000E-04 241375.30850 0.38803626000E-03 37261.966104 0.21633352000E-02 8912.6334556 0.92598497000E-02 2733.5977663 0.36704983000E-01 973.80383383 0.12338560000 387.53618949 0.30473757000 164.01607101 0.45494790000 5 p 4973.4684737 0.56332313716E-03 303.52324011 -0.19866893543E-01 53.050668675 0.30250043800 26.183989785 0.60723637323 12.575793702 0.29760898017 4 p 322.54170486 -0.35352602183E-02 8.5222687641 0.49569139461 4.3017106227 0.59948505643 2.1870032709 0.22363897943 3 p 3.5248311496 -0.38497148491E-01 1.6542094341 0.20780944005 0.74958985436 0.64103820142 1 p 70.301534542 1.0000000000 1 p 0.29566966396 1.0000000000 1 p 0.10195505654 1.0000000000 1 p 0.28346699677E-01 1.0000000000 6 d 2013.4298708 0.27324268453E-02 570.71595834 0.21268846612E-01 213.49609082 0.96971781782E-01 91.009165847 0.27274781583 41.368614843 0.43879746360 19.390306592 0.30848653239 3 d 25.583285749 0.47944648222E-01 13.456170538 0.20393211564 7.4411855700 0.38090560949 1 d 33.120000000 1.0000000000 1 d 3.7919474250 1.0000000000 1 d 1.6767025843 1.0000000000 1 d 0.47168109986 1.0000000000 1 d 0.12327819708 1.0000000000 1 d 0.32200000000E-01 1.0000000000 5 f 197.14094821 0.47611211511E-02 65.442609623 0.33536611907E-01 26.991441093 0.11732567069 12.145951815 0.24719131933 5.5651300828 0.32877704363 1 f 2.4941874120 1.0000000000 1 f 1.0474096807 1.0000000000 1 f 0.38609201912 1.0000000000 1 g 0.50660000000 1.0000000000 * yb x2c-TZVPall-s # yb (24s24p15d8f1g) / [11s8p8d4f1g] # {*5111111111/85431111/63111111/5111/1} * 10 s 32858555.351 0.74177464481E-03 5434999.3569 0.21210235045E-02 1189227.2076 0.51122300171E-02 304447.80433 0.11853730147E-01 87484.984325 0.27312830728E-01 27763.531919 0.62301179561E-01 9558.6024230 0.13528067554 3508.7827008 0.27206150046 1321.0595580 0.40348278383 501.39666430 0.26910584877 5 s 9248.9389072 -0.63452048852E-02 2347.7924301 -0.40235671912E-01 845.87910495 -0.86060521462E-01 241.64915725 0.23474293579 69.918610601 0.40889068874 1 s 125.52593834 1.0000000000 1 s 22.745696322 1.0000000000 1 s 12.213881844 1.0000000000 1 s 6.8622742214 1.0000000000 1 s 3.3924284636 1.0000000000 1 s 1.0533997648 1.0000000000 1 s 0.46571608890 1.0000000000 1 s 0.78802455070E-01 1.0000000000 1 s 0.32180528732E-01 1.0000000000 8 p 1645433.3714 0.77226638000E-04 253143.59560 0.39585586000E-03 38940.243756 0.22006655000E-02 9247.0478783 0.94180086000E-02 2829.8618156 0.36908114000E-01 1009.9732731 0.12313166000 402.08991471 0.30385891000 170.24295726 0.45439195000 5 p 5235.9824464 0.55238260392E-03 317.77261188 -0.19771237110E-01 54.923177750 0.30456444031 27.133309483 0.60833739533 13.028121300 0.29763377751 4 p 335.75554132 -0.34907537703E-02 8.8811872930 0.50027798948 4.4132428548 0.61569531835 2.1976465146 0.20721836999 3 p 3.3993853627 -0.39904176806E-01 1.7131015405 0.21675779035 0.73025895262 0.62098858012 1 p 73.047445780 1.0000000000 1 p 0.28487759293 1.0000000000 1 p 0.98233652734E-01 1.0000000000 1 p 0.25355670803E-01 1.0000000000 6 d 2137.3987200 0.26501520983E-02 601.15018921 0.20693309096E-01 224.94790183 0.94337800426E-01 95.855839687 0.26883314020 43.478580696 0.43911883451 20.323802228 0.31219129796 3 d 27.072153382 0.44594901042E-01 14.331731415 0.20002072275 7.8510509127 0.38513664262 1 d 35.250000000 1.0000000000 1 d 3.9917372505 1.0000000000 1 d 1.7728577006 1.0000000000 1 d 0.50497972521 1.0000000000 1 d 0.13237065094 1.0000000000 1 d 0.34700000000E-01 1.0000000000 5 f 208.12205300 0.44825255674E-02 70.820504153 0.32128991569E-01 29.004169464 0.11631537801 12.927356344 0.25107632998 5.8711511620 0.33607417594 1 f 2.6090905394 1.0000000000 1 f 1.0867384878 1.0000000000 1 f 0.39729653641 1.0000000000 1 g 0.51330000000 1.0000000000 * lu x2c-TZVPall-s # lu (24s25p15d7f1g) / [11s9p8d2f1g] # {*5111111111/854311111/63111111/61/1} * 10 s 33426210.822 0.77357743880E-03 5570939.9389 0.21995890944E-02 1229240.1159 0.52538168558E-02 315754.68023 0.12101381217E-01 91163.124551 0.27645653309E-01 28900.464154 0.62612816826E-01 9966.2593013 0.13498835577 3657.4044656 0.27042381958 1375.9207140 0.40196561164 520.77497198 0.27057583492 5 s 9811.4206744 -0.62800900805E-02 2464.6427167 -0.39883360084E-01 880.38212066 -0.85598105525E-01 253.56089629 0.22885004130 72.802528614 0.41393246136 1 s 131.00006651 1.0000000000 1 s 23.866735236 1.0000000000 1 s 13.421007061 1.0000000000 1 s 7.3079120117 1.0000000000 1 s 3.5432270232 1.0000000000 1 s 1.0721060021 1.0000000000 1 s 0.47749128312 1.0000000000 1 s 0.82284284557E-01 1.0000000000 1 s 0.33792988546E-01 1.0000000000 8 p 1670992.3819 0.81419387683E-04 257075.75106 0.41718878143E-03 39630.771634 0.22837086910E-02 9465.6699045 0.96808017199E-02 2923.1172049 0.37065073190E-01 1045.2583432 0.12370171799 416.45892837 0.30313144788 176.86699439 0.45574185315 5 p 5929.4571481 0.53084475623E-03 328.78836805 -0.19825534938E-01 56.897455837 0.30640102597 28.124206410 0.60811113501 13.547499501 0.29721671372 4 p 351.49168885 -0.34307041505E-02 9.2821459514 0.49497363004 4.6244133360 0.61450182569 2.3126050820 0.21552834607 3 p 3.6203568662 -0.39949988000E-01 1.7807985151 0.20941201148 0.75564597952 0.60662874728 1 p 205.95000000 1.0000000000 1 p 75.776978114 1.0000000000 1 p 0.29051036261 1.0000000000 1 p 0.10017598711 1.0000000000 1 p 0.29091071778E-01 1.0000000000 6 d 2235.6265172 0.26138426119E-02 629.70087894 0.20453698280E-01 233.48826683 0.95147240281E-01 99.174116741 0.26988395047 45.091213468 0.43892884500 21.152518230 0.31167579667 3 d 28.165827768 0.45019832636E-01 15.003382668 0.19610475006 8.2843033472 0.38460151902 1 d 36.150000000 1.0000000000 1 d 4.1821150317 1.0000000000 1 d 1.8344154658 1.0000000000 1 d 0.49753017279 1.0000000000 1 d 0.12476994128 1.0000000000 1 d 0.31300000000E-01 1.0000000000 6 f 157.99971594 0.97542183550E-02 52.860897715 0.63335802873E-01 20.914599335 0.20513863284 8.7838451958 0.36563225736 3.5948121732 0.40122560066 1.3508422979 0.28243419011 1 f 0.42440000000 1.0000000000 1 g 0.70090000000 1.0000000000 * hf x2c-TZVPall-s # hf (24s25p15d7f) / [11s9p8d2f] {*5111111111/854311111/63111111/61} * 10 s 33749324.169 0.80917385576E-03 5710746.3186 0.22794481187E-02 1269167.6200 0.54118159392E-02 326869.77047 0.12418115563E-01 94447.385336 0.28162486482E-01 29948.791363 0.63384697780E-01 10318.049582 0.13580196670 3793.7379599 0.26923770513 1430.4875834 0.40032019131 540.85867074 0.27242719814 5 s 10557.679796 -0.60395725165E-02 2635.1437008 -0.38352990522E-01 935.81796369 -0.84510245957E-01 259.55186665 0.23308404275 76.196374281 0.42261848251 1 s 135.94865338 1.0000000000 1 s 24.913329781 1.0000000000 1 s 13.971268351 1.0000000000 1 s 7.6075364042 1.0000000000 1 s 3.6808744392 1.0000000000 1 s 1.0848502028 1.0000000000 1 s 0.49264268734 1.0000000000 1 s 0.86608224611E-01 1.0000000000 1 s 0.34024999545E-01 1.0000000000 8 p 1783498.1843 0.82041151478E-04 274384.33605 0.41752265971E-03 42339.742402 0.22606521792E-02 10036.154302 0.95962298831E-02 3061.9794607 0.37050789961E-01 1087.6218097 0.12319727923 432.64206756 0.30205604902 182.85749544 0.45323451281 5 p 5965.9382898 0.53461253150E-03 339.90998221 -0.19668992816E-01 59.144361387 0.30334056332 29.310655371 0.60551419458 14.150657884 0.30124241702 4 p 360.48798535 -0.34995278817E-02 9.6523178318 0.50602727690 4.7744709552 0.63148847721 2.3674801735 0.20779126430 3 p 3.6708626088 -0.40159322660E-01 1.7937340899 0.24759456599 0.77792204721 0.63221217773 1 p 212.62000000 1.0000000000 1 p 78.175218155 1.0000000000 1 p 0.30270837494 1.0000000000 1 p 0.87300000000E-01 1.0000000000 1 p 0.29100000000E-01 1.0000000000 6 d 2242.9560749 0.27982459153E-02 633.68398286 0.21614921676E-01 235.49309518 0.99651137369E-01 99.638033005 0.28254243819 44.937370703 0.45095069519 20.832303276 0.30355463123 3 d 29.985585076 0.41453932652E-01 15.517787884 0.22459343197 7.8365378689 0.46169707619 1 d 37.070000000 1.0000000000 1 d 3.7299463861 1.0000000000 1 d 1.5719987090 1.0000000000 1 d 0.50025195991 1.0000000000 1 d 0.14178134943 1.0000000000 1 d 0.40200000000E-01 1.0000000000 6 f 161.56171802 0.11497368941E-01 49.600756040 0.78762035299E-01 19.579639704 0.23437237287 8.1370030777 0.39229113338 3.2711663217 0.39599419844 1.1871587199 0.23962879045 1 f 0.31547000000 1.0000000000 * ta x2c-TZVPall-s # ta (24s25p15d7f) / [11s9p8d2f] {*5111111111/854311111/63111111/61} * 10 s 34697854.652 0.83343222333E-03 5929037.2415 0.23496254305E-02 1323222.8777 0.55446285165E-02 341943.94124 0.12612002596E-01 98964.343967 0.28442915948E-01 31365.176827 0.63637502711E-01 10789.475077 0.13569152174 3957.0155409 0.26864323928 1487.3939841 0.39987621553 560.98152395 0.27376632869 5 s 10835.946013 -0.62334522067E-02 2694.9426739 -0.38973793750E-01 957.37046771 -0.83548916299E-01 274.12200170 0.22646287005 78.562480485 0.41984241151 1 s 141.34309866 1.0000000000 1 s 25.862201861 1.0000000000 1 s 14.544090353 1.0000000000 1 s 7.9194453968 1.0000000000 1 s 3.8459616860 1.0000000000 1 s 1.1174405149 1.0000000000 1 s 0.51331420365 1.0000000000 1 s 0.91829555731E-01 1.0000000000 1 s 0.34812845106E-01 1.0000000000 8 p 1846721.3115 0.85115662533E-04 284110.97100 0.42954735920E-03 43895.636598 0.23074737500E-02 10423.199887 0.96726287785E-02 3188.5803293 0.36885911252E-01 1132.2024321 0.12276681180 448.80776628 0.30174600013 189.71768425 0.45384351231 5 p 6322.5856091 0.53230964025E-03 354.05965172 -0.19710267719E-01 61.115849765 0.30676352780 30.316553801 0.60990448933 14.608751800 0.30184732544 4 p 375.68920295 -0.34681136709E-02 10.044423604 0.49839566013 4.9919493271 0.62238869359 2.4895040669 0.20647260016 3 p 4.0436496772 -0.36906100447E-01 1.8195010650 0.27587316677 0.82633995572 0.64804539548 1 p 219.52000000 1.0000000000 1 p 81.170951218 1.0000000000 1 p 0.32875364720 1.0000000000 1 p 0.11200000000 1.0000000000 1 p 0.37300000000E-01 1.0000000000 6 d 2286.9020736 0.28727360361E-02 644.71746685 0.22111106453E-01 240.26422061 0.10050286736 102.10400768 0.28196312862 46.138878646 0.44812765888 21.370600510 0.29795593730 3 d 30.542592961 0.43999363380E-01 15.840009897 0.22666307499 7.9936456873 0.45898294242 1 d 38.020000000 1.0000000000 1 d 3.7809514245 1.0000000000 1 d 1.5544902324 1.0000000000 1 d 0.53288754046 1.0000000000 1 d 0.15960137336 1.0000000000 1 d 0.47800000000E-01 1.0000000000 6 f 168.64670328 0.10619905363E-01 56.350638784 0.69351542710E-01 22.232522358 0.22394369362 9.2844366606 0.39174572263 3.7687906522 0.41031860673 1.3902471859 0.24715150215 1 f 0.37386000000 1.0000000000 * w x2c-TZVPall-s # w (24s25p15d7f) / [11s9p8d2f] {*5111111111/854311111/63111111/61} * 10 s 34963687.794 0.87377973269E-03 6057053.0621 0.24341220911E-02 1363474.3697 0.57115059381E-02 353587.73931 0.12927351700E-01 102411.54656 0.28971133175E-01 32444.326440 0.64478780436E-01 11146.361897 0.13660481168 4091.1130886 0.26814846171 1539.8918431 0.39815291741 580.61880897 0.27402154947 5 s 11726.551520 -0.59703702710E-02 2885.4115710 -0.37638222558E-01 1013.8279341 -0.83053782787E-01 282.61444281 0.22842636144 81.777392287 0.42534286717 1 s 146.54711899 1.0000000000 1 s 26.923411478 1.0000000000 1 s 15.140398057 1.0000000000 1 s 8.2441426581 1.0000000000 1 s 4.0259865640 1.0000000000 1 s 1.1738884365 1.0000000000 1 s 0.53695229865 1.0000000000 1 s 0.10001635592 1.0000000000 1 s 0.35725092772E-01 1.0000000000 8 p 1952220.9303 0.86436191708E-04 300341.68159 0.43423692175E-03 46215.785251 0.23232708862E-02 10940.800050 0.96514969431E-02 3331.3047487 0.36834698505E-01 1176.2788808 0.12267120576 465.10161969 0.30117385835 196.37793749 0.45431282455 5 p 6553.8716431 0.51467199302E-03 367.88086848 -0.19478737069E-01 63.382860059 0.30343769462 31.455839130 0.60429064232 15.196022122 0.30093917238 4 p 386.39231192 -0.34410300733E-02 10.498460469 0.48851818679 5.2972976350 0.61470108811 2.6846561019 0.22199985312 3 p 4.1457007219 -0.37241879448E-01 1.8568415033 0.31501071106 0.84502485470 0.64522043615 1 p 226.62000000 1.0000000000 1 p 83.949012253 1.0000000000 1 p 0.33951919487 1.0000000000 1 p 0.10500000000 1.0000000000 1 p 0.34900000000E-01 1.0000000000 6 d 2395.0854530 0.28531078921E-02 675.87227158 0.21847652494E-01 251.18155728 0.10009151543 106.42184429 0.28368258854 47.975043793 0.45345022369 22.192054374 0.30240168388 3 d 31.463969448 0.45396164547E-01 16.341340199 0.23158695242 8.2220029601 0.46695768552 1 d 38.990000000 1.0000000000 1 d 3.8719495956 1.0000000000 1 d 1.5552137167 1.0000000000 1 d 0.55972461346 1.0000000000 1 d 0.17452695059 1.0000000000 1 d 0.54400000000E-01 1.0000000000 6 f 177.00973712 0.10588855811E-01 59.476768626 0.68668386340E-01 23.676693532 0.22139192752 9.9951304248 0.38970437678 4.1188333800 0.41001404200 1.5535738188 0.24122837781 1 f 0.43199000000 1.0000000000 * re x2c-TZVPall-s # re (24s25p15d7f) / [11s9p8d2f] {*5111111111/854311111/63111111/61} * 10 s 35867179.111 0.90412554163E-03 6284028.6434 0.25156255537E-02 1422648.7121 0.58613781919E-02 370661.21790 0.13154654653E-01 106974.18645 0.29570133795E-01 33875.053503 0.64880020280E-01 11627.910322 0.13750204955 4256.1207490 0.26819033393 1601.2518000 0.39794592889 603.29170218 0.27670822999 5 s 12528.150538 -0.57905156469E-02 3088.8005773 -0.36056009222E-01 1087.0184480 -0.81563902388E-01 286.54013400 0.23672761194 85.662292026 0.44217688510 1 s 152.18576642 1.0000000000 1 s 28.044465155 1.0000000000 1 s 15.761154377 1.0000000000 1 s 8.5821525071 1.0000000000 1 s 4.1993052888 1.0000000000 1 s 1.2507594002 1.0000000000 1 s 0.57514595375 1.0000000000 1 s 0.10400113941 1.0000000000 1 s 0.35937392780E-01 1.0000000000 8 p 2041806.0508 0.88547860547E-04 314124.00782 0.44380906020E-03 48090.466400 0.23722340554E-02 11315.355110 0.98169230200E-02 3445.6009894 0.36980118975E-01 1218.5470340 0.12247600853 481.51202984 0.30065169140 203.38018208 0.45435560779 5 p 6871.0777402 0.52226219138E-03 380.94532693 -0.19387232226E-01 65.623455582 0.30465374978 32.567009538 0.60669142450 15.741180040 0.30205811236 4 p 399.26997075 -0.34881086074E-02 10.847808772 0.50597405271 5.3587227699 0.63646926109 2.6582424163 0.19271017384 3 p 4.4406463526 -0.47064948925E-01 2.1684047773 0.25534092699 0.98588157923 0.66696039975 1 p 233.96000000 1.0000000000 1 p 87.007908750 1.0000000000 1 p 0.39018050914 1.0000000000 1 p 0.12500000000 1.0000000000 1 p 0.41800000000E-01 1.0000000000 6 d 2467.1859942 0.28632622139E-02 694.08406411 0.21920230157E-01 258.01100128 0.10009198169 109.40930360 0.28225120763 49.403632929 0.44922914662 22.863333025 0.29778383274 3 d 32.667664726 0.45997579279E-01 16.891409782 0.23566639833 8.4766797316 0.46955818617 1 d 39.990000000 1.0000000000 1 d 3.9972383231 1.0000000000 1 d 1.5906495206 1.0000000000 1 d 0.59114489350 1.0000000000 1 d 0.19018381576 1.0000000000 1 d 0.61200000000E-01 1.0000000000 6 f 188.69021374 0.10185845310E-01 63.447080396 0.66973045190E-01 25.322710085 0.21849668606 10.757085421 0.38872869829 4.4775564431 0.41105507592 1.7167297232 0.23633689045 1 f 0.48989000000 1.0000000000 * os x2c-TZVPall-s # os (24s25p15d7f) / [11s9p8d2f] {*5111111111/854311111/63111111/61} * 10 s 36021289.769 0.94844169667E-03 6398644.0251 0.26092851507E-02 1457597.0660 0.60586131151E-02 379878.30455 0.13568737291E-01 110444.80226 0.29893360436E-01 35005.934180 0.65909171544E-01 11994.903671 0.13811868297 4404.9285542 0.26683659919 1660.2922282 0.39520482420 625.62466604 0.27781809769 5 s 13285.351025 -0.57426447078E-02 3215.5430350 -0.35623037176E-01 1124.1161343 -0.80114689518E-01 301.50990479 0.22914683057 88.920547527 0.43526263369 1 s 157.84254810 1.0000000000 1 s 29.185543878 1.0000000000 1 s 16.407361706 1.0000000000 1 s 8.9340207599 1.0000000000 1 s 4.3814349203 1.0000000000 1 s 1.3118109797 1.0000000000 1 s 0.60324699779 1.0000000000 1 s 0.11042852595 1.0000000000 1 s 0.36808046035E-01 1.0000000000 8 p 2129755.3974 0.90901969345E-04 327654.67652 0.45410406960E-03 50084.976665 0.24092496194E-02 11779.272617 0.98826711389E-02 3585.5861918 0.36868375285E-01 1267.9910409 0.12175422330 499.99932519 0.29955255397 210.77483579 0.45270372332 5 p 7215.0416901 0.51583739825E-03 395.95524925 -0.19456489156E-01 68.114637464 0.30202231519 33.872481530 0.60975672421 16.353565344 0.30644782569 4 p 417.15907041 -0.35325281733E-02 11.380131742 0.49071611119 5.7629021689 0.62969174481 2.9399533331 0.22095907951 3 p 4.3896520348 -0.62034786052E-01 2.4363406607 0.24799478938 1.0672310827 0.67392487425 1 p 241.55000000 1.0000000000 1 p 90.190867928 1.0000000000 1 p 0.41753933475 1.0000000000 1 p 0.15100000000 1.0000000000 1 p 0.50300000000E-01 1.0000000000 6 d 2599.6867088 0.27901731640E-02 727.95332008 0.21440339943E-01 269.79617422 0.98492451831E-01 114.24312232 0.27984417464 51.525842189 0.44995619800 23.790722518 0.30142151080 3 d 33.990215358 0.46085338439E-01 17.493665156 0.23984551893 8.7347145298 0.47531892994 1 d 41.010000000 1.0000000000 1 d 4.1124978042 1.0000000000 1 d 1.6284256857 1.0000000000 1 d 0.61161686062 1.0000000000 1 d 0.19776809871 1.0000000000 1 d 0.63900000000E-01 1.0000000000 6 f 204.15443985 0.95024240959E-02 68.629984345 0.63820718332E-01 27.467957898 0.21239887791 11.725530378 0.38747270818 4.9236307399 0.41544687129 1.9127175591 0.23815924406 1 f 0.55065000000 1.0000000000 * ir x2c-TZVPall-s # ir (24s25p15d7f) / [11s9p8d2f] {*5111111111/854311111/63111111/61} * 10 s 36869778.391 0.97951317695E-03 6600359.5318 0.26916421903E-02 1512277.3804 0.62232765746E-02 393794.13849 0.13886539954E-01 114453.49506 0.30422280943E-01 36319.237042 0.66508219163E-01 12411.946806 0.13919324545 4548.6251457 0.26653342789 1716.3516305 0.39347492163 646.20174021 0.27734585274 5 s 13961.358935 -0.56613417772E-02 3359.3194039 -0.35065565663E-01 1163.2281883 -0.78387156844E-01 313.50124440 0.22721003807 92.559388737 0.43583988603 1 s 163.61330384 1.0000000000 1 s 30.389393461 1.0000000000 1 s 17.080063536 1.0000000000 1 s 9.3003156110 1.0000000000 1 s 4.5752228910 1.0000000000 1 s 1.3740614625 1.0000000000 1 s 0.62300499776 1.0000000000 1 s 0.11680539930 1.0000000000 1 s 0.37459235070E-01 1.0000000000 8 p 2214367.7517 0.93473167909E-04 340671.96180 0.46592210302E-03 52068.438521 0.24499045489E-02 12230.432161 0.99899326258E-02 3711.8172073 0.37113517247E-01 1310.0756100 0.12193366283 516.51053052 0.29918708085 217.51662419 0.45298887081 5 p 7613.7481009 0.51541667077E-03 409.02287467 -0.19435664399E-01 70.402362508 0.30441227894 35.018754392 0.61085170146 16.948817848 0.30805961084 4 p 426.95723323 -0.35350518398E-02 11.775756099 0.49579723474 5.9417929894 0.62987578040 3.0336536159 0.21173092254 3 p 4.7336271097 -0.55123008016E-01 2.4740179307 0.25428871829 1.1260260799 0.64832326955 1 p 249.36000000 1.0000000000 1 p 92.942883880 1.0000000000 1 p 0.44801517114 1.0000000000 1 p 0.14200000000 1.0000000000 1 p 0.47500000000E-01 1.0000000000 6 d 2706.0973340 0.27936254972E-02 756.34433605 0.21405216578E-01 279.87064121 0.98668683084E-01 118.37407154 0.28106460401 53.427672621 0.45214224915 24.712400815 0.30451840314 3 d 34.400533387 0.49777047852E-01 17.973676126 0.24218107183 9.0346747604 0.47997426458 1 d 42.060000000 1.0000000000 1 d 4.2775505072 1.0000000000 1 d 1.6862093605 1.0000000000 1 d 0.63928186673 1.0000000000 1 d 0.20820882735 1.0000000000 1 d 0.67800000000E-01 1.0000000000 6 f 218.95239406 0.89498066994E-02 73.666664162 0.61124846007E-01 29.522285724 0.20728601997 12.656091196 0.38491296054 5.3493661284 0.41824893342 2.0966582826 0.23672674535 1 f 0.61008000000 1.0000000000 * pt x2c-TZVPall-s # pt (24s25p15d7f) / [11s9p8d2f] {*5111111111/854311111/63111111/61} * 10 s 37108709.606 0.10298430242E-02 6709963.4551 0.28005152446E-02 1547834.8401 0.64333394483E-02 405646.46676 0.14276154776E-01 118122.88613 0.31052443206E-01 37401.918113 0.67627241496E-01 12757.915266 0.14134750459 4673.1026320 0.26607759535 1771.6022602 0.39207977352 666.32986697 0.27729899429 5 s 14820.895712 -0.55697202569E-02 3579.0102394 -0.34120046403E-01 1232.2523755 -0.77534545278E-01 324.47900889 0.22512816993 94.744496002 0.43605403364 1 s 169.83500728 1.0000000000 1 s 31.626570369 1.0000000000 1 s 17.763266077 1.0000000000 1 s 9.6723282354 1.0000000000 1 s 4.7618436057 1.0000000000 1 s 1.4351270858 1.0000000000 1 s 0.65200662742 1.0000000000 1 s 0.12232621450 1.0000000000 1 s 0.38532464154E-01 1.0000000000 8 p 2326751.1347 0.95274210032E-04 357961.71303 0.47368815694E-03 54393.977765 0.24873280668E-02 12723.678865 0.10080268074E-01 3863.2141770 0.36867051998E-01 1367.2972124 0.12040601263 538.76795168 0.29677491079 226.36521599 0.45351606770 5 p 8513.3147763 0.47504844247E-03 423.56468215 -0.18993375693E-01 72.739058068 0.29986847311 36.173356267 0.59991340842 17.536926472 0.30228544309 4 p 441.51317415 -0.33879677801E-02 12.192028160 0.50195777359 6.1014782372 0.63848928236 3.0822927547 0.19668523371 3 p 4.8810094155 -0.58811194523E-01 2.5936503192 0.26130414110 1.1678149995 0.61532358632 1 p 257.45000000 1.0000000000 1 p 96.535226226 1.0000000000 1 p 0.46538535557 1.0000000000 1 p 0.13000000000 1.0000000000 1 p 0.43300000000E-01 1.0000000000 6 d 2753.1254500 0.29049202746E-02 767.62382160 0.22216543223E-01 284.31826332 0.10141411923 120.47978360 0.28620758233 54.371350612 0.45719784909 25.055034045 0.30085405389 3 d 35.471030204 0.53948554425E-01 17.923033270 0.26814598423 8.9232530711 0.48633354153 1 d 43.140000000 1.0000000000 1 d 4.2805095858 1.0000000000 1 d 1.7177381511 1.0000000000 1 d 0.65936921650 1.0000000000 1 d 0.21801286312 1.0000000000 1 d 0.72100000000E-01 1.0000000000 6 f 224.74635377 0.92977517094E-02 75.829449772 0.62961913923E-01 30.498944706 0.21186283705 13.137850026 0.38897383116 5.6095359744 0.41564566190 2.2373756211 0.22791408742 1 f 0.66813000000 1.0000000000 * au x2c-TZVPall-s # au (24s25p15d7f) / [11s9p8d2f] {*5111111111/854311111/63111111/61} * 10 s 38279777.092 0.10584181573E-02 7017126.0897 0.28774455647E-02 1631817.6230 0.65370446766E-02 429753.64411 0.14425389114E-01 124539.32764 0.31567110437E-01 39223.022901 0.68185695692E-01 13386.289329 0.14009785769 4906.3959790 0.26657711879 1843.4335461 0.39360852019 691.51381762 0.27954783273 5 s 15297.329664 -0.56499982507E-02 3650.5421369 -0.34211668452E-01 1260.8800197 -0.75461177274E-01 338.49597481 0.22365441053 99.156581681 0.43883638948 1 s 176.32541239 1.0000000000 1 s 32.933495918 1.0000000000 1 s 18.491559986 1.0000000000 1 s 10.068893693 1.0000000000 1 s 4.9813348439 1.0000000000 1 s 1.4457889856 1.0000000000 1 s 0.59865734641 1.0000000000 1 s 0.12491015999 1.0000000000 1 s 0.39948682180E-01 1.0000000000 8 p 2426401.9299 0.97671648078E-04 373292.60460 0.48405463856E-03 56773.258707 0.25173277093E-02 13273.862022 0.10127110482E-01 4000.8697180 0.37311783795E-01 1404.3969494 0.12187241126 552.43828293 0.29773703352 232.34263718 0.45239482284 5 p 8745.9587865 0.47615256788E-03 441.13892546 -0.19008863567E-01 75.184816450 0.30094918160 37.500607836 0.60181131625 18.223035435 0.30763741675 4 p 460.82166611 -0.34052364871E-02 12.700371092 0.50127415965 6.4013687700 0.64731483303 3.2494076068 0.20501366371 3 p 5.3991207835 -0.54023314571E-01 2.5680886719 0.31541517578 1.1855683149 0.66470245866 1 p 265.78000000 1.0000000000 1 p 99.150904810 1.0000000000 1 p 0.47185810778 1.0000000000 1 p 0.14000000000 1.0000000000 1 p 0.46800000000E-01 1.0000000000 6 d 2855.4825516 0.29172577488E-02 796.51273748 0.22145490930E-01 294.87674925 0.10123782202 124.84046661 0.28726311424 56.197024134 0.46168922877 25.837076994 0.30246966110 3 d 36.326688842 0.57088422332E-01 18.250766730 0.28169230602 9.0369296234 0.49728096255 1 d 44.240000000 1.0000000000 1 d 4.3493376899 1.0000000000 1 d 1.7507149502 1.0000000000 1 d 0.66134873252 1.0000000000 1 d 0.21142584613 1.0000000000 1 d 0.67600000000E-01 1.0000000000 6 f 240.84241346 0.87694398650E-02 81.132837575 0.60482947655E-01 32.704182534 0.20662061617 14.135681364 0.38754355935 6.0606187574 0.42001310967 2.4299881932 0.22857208702 1 f 0.72482000000 1.0000000000 * hg x2c-TZVPall-s # hg (24s25p15d7f) / [11s9p8d2f] {*5111111111/854311111/63111111/61} * 10 s 39486158.250 0.10867098758E-02 7365922.7714 0.29595551910E-02 1718753.8114 0.67567047472E-02 450368.46677 0.14835352210E-01 131284.67239 0.31851612392E-01 41533.860268 0.68708698251E-01 14082.836416 0.14154464336 5146.8206413 0.26678773642 1934.4571821 0.39564005157 723.84570153 0.28768048451 5 s 16378.950236 -0.56199003246E-02 3859.1001741 -0.34157051073E-01 1315.7173152 -0.76236010200E-01 355.19519247 0.21877654233 102.10491273 0.44815263229 1 s 183.67955810 1.0000000000 1 s 34.456987964 1.0000000000 1 s 19.249713945 1.0000000000 1 s 10.481718334 1.0000000000 1 s 5.1962900415 1.0000000000 1 s 1.4328320772 1.0000000000 1 s 0.61523203965 1.0000000000 1 s 0.11299843055 1.0000000000 1 s 0.40371274843E-01 1.0000000000 8 p 2549043.4495 0.99630104722E-04 392160.53069 0.49161965915E-03 59639.757758 0.25338692695E-02 13903.807243 0.10143449660E-01 4175.9891506 0.37177362310E-01 1463.4122268 0.12099115687 574.39285360 0.29654616762 241.06381467 0.45276636124 5 p 8892.3488759 0.47224238005E-03 454.28508772 -0.18665325353E-01 77.942654586 0.29455414692 38.850112790 0.59484244881 18.877378178 0.30515466143 4 p 470.98619968 -0.33105502833E-02 13.202672924 0.48525734596 6.7256909019 0.62755621964 3.4547073830 0.20972918621 3 p 5.7033826080 -0.50985021266E-01 2.6168954400 0.34798152952 1.2352465282 0.67175357055 1 p 274.39000000 1.0000000000 1 p 102.80708118 1.0000000000 1 p 0.50315872781 1.0000000000 1 p 0.15000000000 1.0000000000 1 p 0.50000000000E-01 1.0000000000 6 d 2941.6917381 0.29127990211E-02 815.91192738 0.22237433628E-01 301.20214916 0.10171692167 127.24378391 0.28717998131 57.406702516 0.45435536503 26.497295320 0.29406321745 3 d 37.131181387 0.61811725285E-01 18.636185792 0.29576379028 9.2900183191 0.50661164914 1 d 45.370000000 1.0000000000 1 d 4.5326912730 1.0000000000 1 d 1.8728916538 1.0000000000 1 d 0.72921948524 1.0000000000 1 d 0.24518170947 1.0000000000 1 d 0.82400000000E-01 1.0000000000 6 f 253.58140985 0.85465791927E-02 85.604806678 0.59203724390E-01 34.600074809 0.20394297922 15.015416275 0.38613873797 6.4835108833 0.42049150708 2.6274731503 0.22729060340 1 f 0.79569000000 1.0000000000 * tl x2c-TZVPall-s # tl (24s26p15d8f) / [11s10p7d3f] {*5111111111/8543111111/6411111/611} * 10 s 40186689.349 0.12483571574E-02 5962476.8624 0.39013915585E-02 1359379.2972 0.81670314649E-02 355972.11103 0.18338123155E-01 104025.49093 0.38944532741E-01 33351.003444 0.82320654374E-01 11467.819795 0.16879793012 4227.4381104 0.29745748306 1657.8566219 0.37964246287 661.99090742 0.23057863437 5 s 21280.000809 -0.41218023739E-02 4926.4840763 -0.25846715156E-01 1599.1642631 -0.73101021909E-01 319.48737418 0.27593771285 108.99885795 0.49039574739 1 s 193.61274548 1.0000000000 1 s 77.301717214 1.0000000000 1 s 35.638328926 1.0000000000 1 s 17.131723606 1.0000000000 1 s 7.0443634170 1.0000000000 1 s 2.4868586364 1.0000000000 1 s 1.1484286024 1.0000000000 1 s 0.19797614842 1.0000000000 1 s 0.75944455053E-01 1.0000000000 8 p 2676569.6377 0.10138619373E-03 411779.94426 0.49953115201E-03 62382.143062 0.25611155901E-02 14515.482088 0.10186271036E-01 4343.1108597 0.37144501223E-01 1520.4107713 0.11988438551 598.15109894 0.29299643019 251.27568262 0.45484205032 5 p 10078.221599 0.46699541395E-03 474.94948789 -0.17588412389E-01 79.255846766 0.32842140840 38.833386709 0.62272214181 18.972208343 0.29334369224 4 p 43.555826056 -0.36759156176E-01 15.598231612 0.31765199034 8.4178702258 0.68708404190 4.2017416130 0.34545394017 3 p 6.2774243797 -0.36717453011E-01 2.4882497561 0.45102859999 1.2199124651 0.62940738855 1 p 282.44000000 1.0000000000 1 p 106.90075458 1.0000000000 1 p 0.97500000000 1.0000000000 1 p 0.56300963783 1.0000000000 1 p 0.15402267199 1.0000000000 1 p 0.45993037741E-01 1.0000000000 6 d 2967.8976920 0.31431685874E-02 797.09584497 0.24680182498E-01 292.77300177 0.11165583247 122.66411975 0.31041090196 54.505078477 0.46897792496 24.424596926 0.26697261936 4 d 34.762876718 0.97522454556E-01 16.583276012 0.38428609467 8.5782874643 0.44765461339 4.8220880571 0.28211670835 1 d 45.640000000 1.0000000000 1 d 2.7226444447 1.0000000000 1 d 1.0381699537 1.0000000000 1 d 0.34948459764 1.0000000000 1 d 0.95000000000E-01 1.0000000000 6 f 259.19027688 0.88830241547E-02 87.940652445 0.60510712286E-01 35.817716161 0.20513820007 15.708021030 0.38375545410 6.8932374050 0.41535748703 2.8691602057 0.22507390661 1 f 0.95000000000 1.0000000000 1 f 0.28435000000 1.0000000000 * pb x2c-TZVPall-s # pb (24s26p15d8f) / [11s10p7d3f] {*5111111111/8543111111/6411111/611} * 10 s 40822096.087 0.13245797794E-02 6179996.1625 0.41069923087E-02 1415045.8611 0.85921698987E-02 371271.14957 0.19118074394E-01 108985.40717 0.40141592005E-01 34999.605617 0.84664918981E-01 11977.087680 0.17353572841 4402.1463445 0.30410409626 1718.9751642 0.39217283545 678.42674639 0.23673522227 5 s 21908.330265 -0.42904887083E-02 5100.7637599 -0.26247225458E-01 1655.9264054 -0.73085201666E-01 333.79554974 0.27554017255 111.67955951 0.49487738287 1 s 200.02034677 1.0000000000 1 s 77.187009318 1.0000000000 1 s 37.046200635 1.0000000000 1 s 17.882390781 1.0000000000 1 s 7.3177391104 1.0000000000 1 s 2.5331245136 1.0000000000 1 s 1.2187453477 1.0000000000 1 s 0.22197856388 1.0000000000 1 s 0.85667133082E-01 1.0000000000 8 p 2803689.3193 0.10315307431E-03 431336.81836 0.50570060682E-03 65355.919726 0.25781685346E-02 15144.323361 0.10183555301E-01 4523.0535487 0.36953636768E-01 1579.1745954 0.11901048268 619.38395705 0.29160545514 259.43066410 0.45473486880 5 p 9915.6631110 0.47729313576E-03 490.29841469 -0.17346428581E-01 82.289217383 0.31676359061 40.730106115 0.61304244673 19.941949164 0.30352085327 4 p 47.512337616 -0.23988686175E-01 14.393398178 0.47290676559 7.3446137485 0.67778423884 3.7797268645 0.20720166928 3 p 6.6877290253 -0.39539916292E-01 2.6360468303 0.44972136418 1.2577032205 0.66267756859 1 p 274.39000000 1.0000000000 1 p 110.21716407 1.0000000000 1 p 0.96800000000 1.0000000000 1 p 0.55902090601 1.0000000000 1 p 0.18953438490 1.0000000000 1 p 0.61704045087E-01 1.0000000000 6 d 2982.7537918 0.33743092920E-02 827.27344317 0.25566070174E-01 303.34821853 0.11704155734 126.96071686 0.32612646795 56.390869207 0.49449575458 25.269208719 0.28279049553 4 d 36.156551650 0.93458717500E-01 17.316827656 0.37672497120 8.8394076126 0.45798456836 4.9703378515 0.25153236378 1 d 46.180000000 1.0000000000 1 d 3.0287849847 1.0000000000 1 d 1.2395961140 1.0000000000 1 d 0.43646755505 1.0000000000 1 d 0.11500000000 1.0000000000 6 f 267.00965676 0.90594876961E-02 90.569450968 0.61695607928E-01 36.927842475 0.20852358701 16.232933334 0.38730696159 7.1609716787 0.41363958816 3.0049155523 0.21749117817 1 f 1.0000000000 1.0000000000 1 f 0.28962000000 1.0000000000 * bi x2c-TZVPall-s # bi (24s26p15d8f) / [11s10p7d3f] {*5111111111/8543111111/6411111/611} * 10 s 41887889.192 0.13827386183E-02 6463901.8272 0.42600763145E-02 1498825.3835 0.88117205308E-02 395360.60656 0.19569805817E-01 115869.76013 0.40857746169E-01 37168.713253 0.85804405228E-01 12650.850195 0.17577944702 4625.0138134 0.30759958908 1804.4107336 0.39651495287 714.51610037 0.24743001528 5 s 23245.282093 -0.42423824721E-02 5392.5409467 -0.26466268199E-01 1727.0649450 -0.74399506211E-01 353.04629527 0.26902273653 116.33423579 0.51046548777 1 s 208.25525240 1.0000000000 1 s 81.215322751 1.0000000000 1 s 38.448928213 1.0000000000 1 s 18.709290678 1.0000000000 1 s 7.6577431096 1.0000000000 1 s 2.7082998751 1.0000000000 1 s 1.3123487492 1.0000000000 1 s 0.24765055295 1.0000000000 1 s 0.96383559976E-01 1.0000000000 8 p 2948485.2766 0.10537007630E-03 453613.11947 0.51437017688E-03 68677.080980 0.26044335613E-02 15828.472728 0.10304744340E-01 4689.1543145 0.37275245153E-01 1632.9707901 0.11945366554 639.86946492 0.29203116798 268.02644916 0.45478044910 5 p 10966.039280 0.46273203840E-03 506.80292195 -0.17301235317E-01 84.910019465 0.32417333600 41.756661751 0.62124669625 20.496203658 0.30266207200 4 p 45.599748585 -0.38894125619E-01 16.960509954 0.31475767362 9.0920740881 0.70887557492 4.5399305333 0.34620781002 3 p 7.2444683632 -0.38608439701E-01 2.7187394940 0.49168810270 1.3311501434 0.66232310867 1 p 299.24000000 1.0000000000 1 p 113.92170160 1.0000000000 1 p 1.0720000000 1.0000000000 1 p 0.61901873622 1.0000000000 1 p 0.22106967029 1.0000000000 1 p 0.76389181954E-01 1.0000000000 6 d 3076.0465793 0.32251939342E-02 851.68432792 0.24324777757E-01 312.34312485 0.11096310939 130.84676104 0.30865168392 58.182606264 0.46823473438 26.197447518 0.26685612541 4 d 37.033391122 0.97376457617E-01 17.664379023 0.38292754855 9.2215469732 0.42580916157 5.1863133082 0.26443850649 1 d 46.180000000 1.0000000000 1 d 3.1309527240 1.0000000000 1 d 1.2795951781 1.0000000000 1 d 0.45119059477 1.0000000000 1 d 0.14000000000 1.0000000000 6 f 284.53563702 0.85691544395E-02 96.436883921 0.59376019831E-01 39.315233291 0.20441983227 17.299701133 0.38647140473 7.6454462726 0.41746397219 3.2114066861 0.21799371247 1 f 1.0500000000 1.0000000000 1 f 0.31271000000 1.0000000000 * po x2c-TZVPall-s # po (24s26p15d8f) / [11s10p7d3f] {*5111111111/8543111111/6411111/611} * 10 s 42630544.727 0.14146395490E-02 6679150.4178 0.43219777701E-02 1556545.5386 0.89176362846E-02 411063.10265 0.19687871513E-01 120269.52638 0.41188140087E-01 38122.975873 0.86958639068E-01 12852.728275 0.17750435419 4648.3963021 0.31243898325 1790.3030773 0.39126960324 714.83560594 0.22969367687 5 s 24732.939049 -0.41929511535E-02 5790.0941125 -0.24756904759E-01 1854.6296342 -0.72253568204E-01 357.29160595 0.27774427489 118.73959221 0.50557672510 1 s 215.02585509 1.0000000000 1 s 81.938754844 1.0000000000 1 s 40.749579687 1.0000000000 1 s 20.026774826 1.0000000000 1 s 8.3033701894 1.0000000000 1 s 3.4273388755 1.0000000000 1 s 1.4991144189 1.0000000000 1 s 0.28176401579 1.0000000000 1 s 0.11841847366 1.0000000000 8 p 3021741.4748 0.10947051362E-03 464883.30382 0.53370682622E-03 70426.515584 0.26709300343E-02 16352.023015 0.10413030111E-01 4849.9514356 0.37404387409E-01 1688.1193490 0.11941529578 660.33300332 0.29186813767 276.09723586 0.45496095611 5 p 11571.012919 0.45143551345E-03 527.24332630 -0.17088287788E-01 87.563885375 0.32251445454 43.012758223 0.61894112550 21.091670259 0.29924733817 4 p 51.107873121 -0.32999804727E-01 15.823092952 0.42643986005 8.2471992686 0.68635536848 4.0976653543 0.23401427140 3 p 8.2492392745 -0.33486476788E-01 2.7622469697 0.52397461225 1.3312432649 0.65543680643 1 p 308.02000000 1.0000000000 1 p 117.18322119 1.0000000000 1 p 0.99000000000 1.0000000000 1 p 0.57168127256 1.0000000000 1 p 0.23466818318 1.0000000000 1 p 0.81960992093E-01 1.0000000000 6 d 3184.0936109 0.34078124235E-02 880.62513322 0.25624393054E-01 322.67904823 0.11694054569 135.09503043 0.32577856619 60.106691703 0.49508228321 27.083466990 0.28235144479 4 d 38.301884353 0.97226265492E-01 18.355317770 0.38032777447 9.6388892059 0.42800803180 5.4205877396 0.27051424367 1 d 46.450000000 1.0000000000 1 d 3.2299541894 1.0000000000 1 d 1.3210287292 1.0000000000 1 d 0.46545734570 1.0000000000 1 d 0.15000000000 1.0000000000 6 f 303.74214086 0.81202684662E-02 103.56723497 0.56092115157E-01 42.675310853 0.19423836859 19.016352455 0.37742161876 8.5390109940 0.42160379232 3.7124955671 0.23321174235 1 f 1.4000000000 1.0000000000 1 f 0.33275000000 1.0000000000 * at x2c-TZVPall-s # at (24s26p15d8f) / [11s10p7d3f] {*5111111111/8543111111/6411111/611} * 10 s 46553814.562 0.12247013570E-02 8258396.9539 0.37998717477E-02 1784409.2408 0.87605575306E-02 449411.79399 0.19034946460E-01 127105.69922 0.40068756758E-01 40159.329415 0.81926228699E-01 13667.268177 0.16636468505 4924.8010083 0.29324774104 1913.7698664 0.36587748780 766.86571374 0.23259769443 5 s 27503.406815 -0.36978938072E-02 6282.5973611 -0.22393467081E-01 1967.2303758 -0.66933284452E-01 364.35508511 0.27238644941 123.44787135 0.48707733597 1 s 222.85537974 1.0000000000 1 s 85.599635541 1.0000000000 1 s 42.138200759 1.0000000000 1 s 20.656117039 1.0000000000 1 s 8.5994474571 1.0000000000 1 s 3.4667221282 1.0000000000 1 s 1.5848574192 1.0000000000 1 s 0.31997707616 1.0000000000 1 s 0.14077368964 1.0000000000 8 p 3205199.7062 0.11070618586E-03 493107.64711 0.53838579560E-03 74306.289334 0.26930309391E-02 17075.106204 0.10527522972E-01 5033.4704770 0.37532230791E-01 1751.6677797 0.11904982836 684.36563161 0.29108263878 285.94108550 0.45364469181 5 p 12056.798389 0.44541908664E-03 549.52301573 -0.16975446435E-01 89.192244735 0.33926786576 43.373221879 0.62770198628 21.278721687 0.28508448411 4 p 52.499171204 -0.34990891284E-01 16.471683032 0.42152562240 8.5629925596 0.70214926613 4.1870774327 0.23119351457 3 p 8.8553076354 -0.34304606327E-01 2.8741733845 0.55563186786 1.3845111031 0.67996477917 1 p 317.06000000 1.0000000000 1 p 121.37321952 1.0000000000 1 p 0.96000000000 1.0000000000 1 p 0.55431897175 1.0000000000 1 p 0.24615492350 1.0000000000 1 p 0.89095818389E-01 1.0000000000 6 d 3282.5718610 0.34528722188E-02 908.56012161 0.25763009855E-01 333.19141207 0.11730967742 139.54035737 0.32750422315 62.116281395 0.49901667724 28.012421761 0.28544841777 4 d 39.538188382 0.97795196341E-01 18.953949743 0.38281408744 9.9221930713 0.43750624619 5.5789816363 0.26541600561 1 d 46.720000000 1.0000000000 1 d 3.3294456827 1.0000000000 1 d 1.3622414191 1.0000000000 1 d 0.47979470432 1.0000000000 1 d 0.17400000000 1.0000000000 6 f 312.90476229 0.86108320406E-02 103.01643698 0.61811592105E-01 42.125448723 0.21039573475 18.584019267 0.39775808864 8.3717735541 0.40249526808 3.9179848344 0.19774931424 1 f 1.8000000000 1.0000000000 1 f 0.37408000000 1.0000000000 * rn x2c-TZVPall-s # rn (24s26p15d8f) / [11s10p7d3f] {*5111111111/8543111111/6411111/611} * 10 s 48010421.890 0.12454554036E-02 8386674.3399 0.40023305217E-02 1807138.8936 0.91325580790E-02 455398.89978 0.19725971910E-01 129589.19976 0.40922809190E-01 40992.076691 0.84155696645E-01 13791.993379 0.17161881760 4928.8002571 0.29940972623 1911.1399066 0.36328538749 773.33389008 0.22217417583 5 s 28409.421301 -0.38541170689E-02 6738.2275505 -0.22025922274E-01 2104.6322411 -0.69836018996E-01 376.03651235 0.28902639480 128.14513215 0.52260861897 1 s 231.57956823 1.0000000000 1 s 88.025424017 1.0000000000 1 s 43.562700454 1.0000000000 1 s 21.213491045 1.0000000000 1 s 8.9188875065 1.0000000000 1 s 3.5678861581 1.0000000000 1 s 1.6703606862 1.0000000000 1 s 0.38259535640 1.0000000000 1 s 0.16059928803 1.0000000000 8 p 3278358.1535 0.11510895969E-03 504362.79284 0.55889906296E-03 75970.304248 0.27820400810E-02 17503.923430 0.10734682960E-01 5170.7583355 0.37964541614E-01 1798.7779205 0.11981281581 703.01412842 0.29123725874 294.10542297 0.45511172797 5 p 13229.584783 0.41290452070E-03 576.11768805 -0.16660409611E-01 90.501700365 0.35294682016 43.313342984 0.62840407356 21.073075959 0.25634830794 4 p 52.704808693 -0.37840013004E-01 17.420953028 0.40901540588 8.9692101924 0.74178005268 4.2870812537 0.23348160608 3 p 9.0893347266 -0.28886103642E-01 2.9565794346 0.59427127924 1.4057058566 0.66931770612 1 p 326.37000000 1.0000000000 1 p 124.80264011 1.0000000000 1 p 0.89000000000 1.0000000000 1 p 0.51397374483 1.0000000000 1 p 0.23331890630 1.0000000000 1 p 0.90319951831E-01 1.0000000000 6 d 3387.5687385 0.32600814294E-02 933.37108929 0.24374641506E-01 341.46549351 0.11095619826 142.85458200 0.30870413232 63.653189869 0.46804363118 28.800584097 0.26576198794 4 d 41.040260118 0.97133913306E-01 19.622457794 0.39209667808 9.9960140386 0.46718276325 5.6150807829 0.24055707247 1 d 47.000000000 1.0000000000 1 d 3.5251817183 1.0000000000 1 d 1.4044751363 1.0000000000 1 d 0.51689851297 1.0000000000 1 d 0.20000000000 1.0000000000 6 f 325.00510975 0.84269152301E-02 110.53265771 0.59108963203E-01 45.198979317 0.20856110559 19.939934836 0.40290867885 8.9825896503 0.42067311417 4.2038463889 0.19834383363 1 f 2.1000000000 1.0000000000 1 f 0.41806000000 1.0000000000 * $end