************************************************************************* * * * This file is a part of Molcas distribution * * * * You may redistribute this file * * You may include this file in any package as it is * * without any modifications * * * * Any derivatives, (e.g. extraction of an individual * * basis set, transformation to different format, etc.) * * are allowed if the modified data contains * * i) a reference to the original file * * ii) an indication that the file has been modified * * * * (C) 2019 Patrick Zobel * * (C) 2019 Per-Olof Widmark * * (C) 2019 Valera Veryazov * * * * Command to verify the checksum (also available at * * www.molcas.org/basis_set.html) * *md5 grep -v '^\*md5' ANO-R-1 | md5sum * *md5 483812efe575777ee6d194b0d1dee313 * * * ************************************************************************* #Hamiltonian RH_ #Nucleus GN_ #Contraction ANO #AllElectron YES #Keyword FINITE;RX2C /H.ano-r.Zobel.7s4p.2s1p J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 1 1 7 2 107.20423474 16.04351239 3.61654671 0.93543804 0.30477121 0.10685424 0.03746361 0.0007959672 -0.0036160841 0.0058692523 -0.0260767933 0.0321526568 -0.1438519715 0.1285022287 -0.5279326925 0.2757362499 -0.5229144745 0.4281655102 0.4597446586 0.2987378698 0.5084217924 4 1 1.93253233 1.05320343 0.50662208 0.21338213 0.1593849694 0.0996983007 0.5090260709 0.3637470263 /He.ano-r.Zobel.8s4p.2s1p J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 2 1 8 2 532.15974499 80.00496238 18.02248870 5.06497567 1.59338361 0.53030904 0.18170023 0.06225610 0.0010481741 -0.0003405273 0.0079692238 -0.0024043062 0.0404912788 -0.0139864199 0.1478079051 -0.0466678195 0.3752505203 -0.1670247792 0.4505841000 -0.1482084039 0.1272443051 -0.3131398711 0.0208939989 1.2609702529 4 1 4.09452306 1.74477611 0.88610328 0.36143462 0.1548238845 0.2376952152 0.5069630977 0.2353799198 /Li.ano-r.Zobel.11s5p.3s1p J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 3 1 11 3 2088.61150300 329.76830147 71.38725957 19.99582902 6.64708503 2.38700521 0.85412959 0.29066495 0.09486648 0.03230800 0.01100290 0.0005072796 -0.0000806022 0.0007934098 0.0036914202 -0.0005863270 0.0057801384 0.0200276302 -0.0032119982 0.0348417174 0.0751639113 -0.0122829062 0.1772417584 0.1998349965 -0.0346580467 0.6516204230 0.3931512955 -0.0746269851 0.2933879205 0.4010195669 -0.1244596017 -0.9098854414 0.0732599118 -0.1038009867 -0.2850048543 -0.0049212146 0.4659967407 0.1431237081 0.0021434204 0.6596159902 0.1855405030 -0.0005565768 0.0170472998 0.0068040095 5 1 5.56032683 2.56300962 1.09000363 0.40537766 0.11844697 0.0111924762 -0.0133459242 0.0787405253 -0.0100779085 0.9838392498 /Be.ano-r.Zobel.11s7p.3s1p J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 4 1 11 3 3691.66806090 574.05640852 124.00283202 34.69632525 11.53183174 4.16574637 1.51489133 0.52752984 0.17434522 0.05729263 0.01882728 0.0005536332 -0.0001087880 0.0001512460 0.0039468251 -0.0007720780 0.0010404233 0.0212800719 -0.0042335941 0.0061332158 0.0800167110 -0.0160829900 0.0239213482 0.2130530927 -0.0463711968 0.0830034553 0.4111186753 -0.1011559708 0.1049004816 0.3775784735 -0.1713889486 0.2077539225 0.0524724933 -0.0119184844 -0.1978251980 -0.0018805578 0.6601079189 -1.3872210852 0.0005102689 0.4572107147 1.3418690309 -0.0001184885 -0.0078581331 0.1791830000 7 1 21.12969131 8.89027185 3.48780524 1.28729033 0.50437998 0.22167796 0.09053350 0.0019194427 0.0030412539 0.0204613906 0.0476083061 0.1889290451 0.2750553945 0.6220399470 /B.ano-r.Zobel.12s7p3d.3s2p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 5 2 12 3 10431.23000000 1617.92600000 353.05470000 98.16592000 32.09312000 11.57684000 4.38897500 1.68751700 0.64207900 0.23808300 0.08534735 0.03059509 0.0003066844 -0.0000655622 0.0000713477 0.0019706819 -0.0004214247 0.0004669829 0.0104980176 -0.0022578894 0.0024366132 0.0417376481 -0.0090937060 0.0102437303 0.1289261868 -0.0292913335 0.0316844319 0.2962317365 -0.0737459288 0.0878924912 0.4362268503 -0.1442557855 0.1613041293 0.2320491984 -0.1535635669 0.2444053212 0.0058163413 0.1733690678 -0.7675066554 0.0042635320 0.6758733862 -0.8037339703 -0.0018811218 0.3140135917 1.2931917870 0.0005746109 -0.0074283514 0.1188894965 7 2 22.49443000 5.10440400 1.49099900 0.50520210 0.17982510 0.06419857 0.02291925 0.0051462119 -0.0050254342 0.0333676216 -0.0179774839 0.1329009548 -0.1089614282 0.3591675600 -0.7216900903 0.4905123217 0.1577337492 0.2050791993 0.7729512010 -0.0103381417 0.0831239945 3 1 0.67550972 0.30774984 0.12377580 0.3673218965 0.4338143627 0.3583217393 /C.ano-r.Zobel.12s7p3d.3s2p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 6 2 12 3 15566.69000000 2405.49600000 525.67290000 146.49690000 47.97475000 17.33014000 6.58396100 2.53985700 0.96973270 0.35953110 0.12744200 0.04517401 0.0003189872 -0.0000707180 0.0000795849 0.0019590813 -0.0004342985 0.0004976366 0.0102385738 -0.0022847848 0.0025477780 0.0405238695 -0.0091545899 0.0106702450 0.1258839645 -0.0297361058 0.0332187925 0.2933115901 -0.0760753928 0.0938422339 0.4369257167 -0.1509354847 0.1764788245 0.2362314237 -0.1515213903 0.2487758240 0.0079326342 0.1868849319 -0.8567188161 0.0034392481 0.6646021627 -0.6798843111 -0.0020754636 0.3158364657 1.2410693115 0.0005419770 -0.0073833364 0.1104252684 7 2 34.79377000 7.96239500 2.37594400 0.81293870 0.28812230 0.10029750 0.03491430 0.0055910270 -0.0067973219 0.0375157776 -0.0437073439 0.1480134382 -0.2013324537 0.3688832987 -0.5748167603 0.4813700216 0.1062910032 0.1940050552 0.7901776396 -0.0141156477 0.0842390253 3 1 1.03157817 0.46411596 0.18218655 0.3976666407 0.4340023798 0.3318497793 /N.ano-r.Zobel.13s8p4d.3s2p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 7 2 13 3 45831.05000000 6803.94200000 1441.54300000 394.11230000 128.27310000 46.66854000 18.09257000 7.21535200 2.88655900 1.13830700 0.43702200 0.16175280 0.05986878 0.0001578820 -0.0000363109 0.0000115498 0.0008911159 -0.0002053721 0.0000631354 0.0045553868 -0.0010499427 0.0003420316 0.0184020951 -0.0042907952 0.0012837890 0.0609841213 -0.0144694657 0.0048757713 0.1633385951 -0.0412070835 0.0118603482 0.3350192053 -0.0954241730 0.0343819449 0.4092201761 -0.1675980653 0.0438711175 0.1592095494 -0.1051411850 0.0671018001 0.0011237650 0.2908298564 -0.1998866278 0.0036104375 0.6379786434 -0.1016308355 -0.0012273272 0.2327506567 -0.8034441017 0.0005036816 0.0056985008 1.5617621381 8 2 87.70229000 20.52640000 6.32223800 2.25564100 0.85611830 0.32715340 0.12125640 0.04494256 0.0023374202 -0.0024114988 0.0174254214 -0.0198750164 0.0756311285 -0.0756566537 0.2223630326 -0.3189047128 0.4123022954 -0.4864584522 0.3933480030 0.3814781701 0.1103029751 0.6824018351 -0.0028943696 0.0228726935 4 1 2.37607713 1.18915725 0.54288641 0.21898562 0.1730887902 0.3110481500 0.5057232195 0.1875027648 /O.ano-r.Zobel.13s8p4d.3s2p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 8 2 13 3 60090.63000000 9178.64300000 1956.07500000 532.33530000 172.04650000 62.28191000 24.11402000 9.63524800 3.86729700 1.52812000 0.58555830 0.21504120 0.07897200 0.0001692081 -0.0000395897 0.0000125071 0.0008891879 -0.0002084833 0.0000635004 0.0044485389 -0.0010430918 0.0003382904 0.0179738557 -0.0042636830 0.0012608655 0.0600476428 -0.0144962724 0.0048739193 0.1620707499 -0.0416420553 0.0117999479 0.3339289709 -0.0970746371 0.0350558932 0.4092140945 -0.1700226740 0.0431547110 0.1618795818 -0.1020310048 0.0686575271 0.0022027536 0.2917777597 -0.2069936760 0.0034704047 0.6302910866 -0.0765718142 -0.0012142930 0.2386680568 -0.8292339701 0.0005534896 0.0075406479 1.5687412119 8 2 113.11180000 26.41491000 8.17643800 2.92841600 1.10453300 0.41297850 0.14779610 0.05289305 0.0025494846 -0.0026630700 0.0190898373 -0.0212035935 0.0827611559 -0.0872809032 0.2348713494 -0.3241830901 0.4160688706 -0.4488528421 0.3827214973 0.3930914267 0.1043982782 0.6675097555 -0.0015088188 0.0238835115 4 1 2.91881374 1.47086227 0.67466607 0.27128932 0.2189008976 0.3084606274 0.4968855570 0.1543978747 /F.ano-r.Zobel.13s8p4d.3s2p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 9 2 13 3 78598.25000000 11937.49000000 2534.68900000 687.76570000 221.68030000 80.05927000 30.94328000 12.35365000 4.95814100 1.95911800 0.74943210 0.27347630 0.09979460 0.0001779897 -0.0000423233 0.0000125638 0.0009040161 -0.0002154120 0.0000614506 0.0044300521 -0.0010557648 0.0003230101 0.0177638489 -0.0042829768 0.0011799849 0.0594208837 -0.0145819683 0.0046474125 0.1612139459 -0.0421353609 0.0110447113 0.3340973082 -0.0989893740 0.0341038008 0.4098093849 -0.1730051302 0.0395424101 0.1622098619 -0.0985334871 0.0675803879 0.0027404559 0.2991616902 -0.2063419561 0.0035658205 0.6232692731 -0.0316718622 -0.0010746772 0.2413501844 -0.8877975388 0.0004480523 0.0038923673 1.5933304658 8 2 143.19590000 33.45599000 10.39699000 3.73308500 1.40412900 0.51938790 0.18218110 0.06390208 0.0026549833 -0.0030634070 0.0199430787 -0.0243544468 0.0865922417 -0.1037485680 0.2390007451 -0.3656143659 0.4068910666 -0.4108675011 0.3823142537 0.4308792542 0.1150787564 0.6114445959 -0.0007402329 0.0282140301 4 1 3.79049888 1.93485419 0.88682786 0.35216904 0.2250826340 0.3023272863 0.4967811922 0.1562751073 /Ne.ano-r.Zobel.14s8p4d.3s2p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 10 2 14 3 196432.10000000 29865.13000000 6237.38100000 1659.59400000 527.85650000 190.31900000 74.46134000 30.51357000 12.73235000 5.29095200 2.15204000 0.84522370 0.31706810 0.11894150 0.0001004027 -0.0000241746 0.0000064939 0.0004518343 -0.0001087680 0.0000303578 0.0020841676 -0.0005031518 0.0001304042 0.0082348482 -0.0019922158 0.0005784771 0.0280624486 -0.0068949842 0.0016966172 0.0818875842 -0.0206573735 0.0063439973 0.1966508571 -0.0535903493 0.0122436075 0.3589694644 -0.1146373494 0.0390074012 0.3652205306 -0.1733979138 0.0301941174 0.1104296182 -0.0465723252 0.0611456770 0.0016772405 0.3563379039 -0.2403288115 0.0023356987 0.5903283637 0.0452427884 -0.0004685727 0.2028505473 -0.9590874134 0.0002086525 0.0022048002 1.6387804542 8 2 179.16800000 41.80090000 13.01663000 4.67856500 1.75590900 0.64505610 0.22319430 0.07722690 0.0026937595 -0.0033555916 0.0203582109 -0.0268085907 0.0886099701 -0.1171293415 0.2411691065 -0.3963913847 0.4014789017 -0.3840468979 0.3814692660 0.4635822488 0.1232572206 0.5655740188 -0.0002184776 0.0292930639 4 1 4.85714639 2.45560378 1.12029771 0.44262106 0.2253731623 0.3113255856 0.4920010614 0.1528671630 /Na.ano-r.Zobel.16s8p4d.4s2p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 11 2 16 4 201993.95564000 31153.81959900 6494.50775280 1715.38813450 542.07329880 194.87483927 76.28659970 31.32156240 13.06802499 5.39787573 2.16176673 0.82602181 0.29767152 0.10041543 0.03159139 0.00993887 0.0001249887 -0.0000324168 0.0000046417 -0.0000337996 0.0005506426 -0.0001429042 0.0000204860 -0.0001446017 0.0025447248 -0.0006614538 0.0000946442 -0.0007081168 0.0100938265 -0.0026368502 0.0003787225 -0.0025869990 0.0343211679 -0.0090912058 0.0013018295 -0.0101230442 0.0984378946 -0.0270071337 0.0039075091 -0.0253898352 0.2270353949 -0.0675657094 0.0097806550 -0.0805251082 0.3822651024 -0.1379381019 0.0206246505 -0.1200091466 0.3238504178 -0.1769029865 0.0270169253 -0.3553135748 0.0688797665 0.0191261829 -0.0028109818 0.3154944667 0.0077412676 0.4659056280 -0.0875319420 1.3885942790 0.0084834837 0.5516862267 -0.1382459155 -0.9229105873 0.0012809226 0.1003549954 -0.1730174748 -0.7144798066 -0.0000401723 -0.0062639636 0.3686878043 0.1332599947 0.0000099690 0.0021640796 0.7760045132 0.2819041373 -0.0000023131 -0.0005729725 0.0259329120 0.0141809278 8 2 251.33976570 58.58442958 18.32898710 6.64413738 2.53860078 0.96524049 0.35239020 0.12865069 0.0022260490 -0.0006148948 0.0171986862 -0.0038721594 0.0766753500 -0.0223905495 0.2179802336 -0.0476755726 0.3788222806 -0.1309257582 0.3967942668 0.0198622874 0.1601512033 -0.3707365952 0.0027040894 1.2262289279 4 1 5.11526850 2.44026670 1.08275000 0.43058634 0.3295369568 0.3432943822 0.4373851014 0.0690006247 /Mg.ano-r.Zobel.16s9p6d.4s3p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 12 2 16 4 261636.94402000 40086.19582800 8292.82562360 2173.09813900 681.56582324 243.42662970 94.82224557 38.82634222 16.20404670 6.72194237 2.71764309 1.05535924 0.38985757 0.13629251 0.04505157 0.01489182 0.0001254661 -0.0000345986 0.0000065593 -0.0000084875 0.0005365749 -0.0001480942 0.0000280696 -0.0000361162 0.0024327353 -0.0006721705 0.0001275179 -0.0001658911 0.0095635340 -0.0026568316 0.0005038461 -0.0006442761 0.0325905109 -0.0091647901 0.0017443526 -0.0022880704 0.0943048636 -0.0274619228 0.0052416344 -0.0066477339 0.2203995413 -0.0692752504 0.0134169776 -0.0178581665 0.3775441688 -0.1431779307 0.0283298478 -0.0354598592 0.3307900422 -0.1859787784 0.0389893731 -0.0576022490 0.0763247010 0.0062786833 -0.0028683259 0.0173713245 0.0112812582 0.4760416602 -0.1192810521 0.1933146633 0.0127656369 0.5596853547 -0.2285621543 0.2563906584 0.0016064254 0.0862364061 -0.1508008705 0.0571519862 0.0000142635 -0.0036526264 0.6610503066 -1.6882381194 -0.0000061211 0.0014036360 0.5507625368 1.3009025104 0.0000051133 -0.0002792644 -0.0095624475 0.2678167225 9 3 581.72949141 134.22321974 42.36889381 15.73075323 6.30890769 2.61020765 1.07712810 0.42244629 0.16568212 0.0008083097 -0.0001821282 0.0012938382 0.0066550183 -0.0018946698 0.0106640034 0.0326226129 -0.0072255963 0.0550313435 0.1111017583 -0.0339231823 0.2133921717 0.2580012076 -0.0538447378 0.5519829060 0.3832174193 -0.1425932497 0.1465255950 0.3436440728 0.0314287093 -0.6799884626 0.1026564493 -0.2951048129 -0.5404073765 0.0009441216 1.1933766438 0.5570857127 6 1 10.06598123 4.77793365 2.16835058 0.85276151 0.30239105 0.11977549 0.1524091252 0.2837324740 0.5053909593 0.2149988026 0.0527369354 0.0619153728 /Al.ano-r.Zobel.16s11p7d.4s3p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 13 2 16 4 351795.40000000 52846.29000000 10836.00000000 2826.69300000 883.18710000 314.05970000 121.79130000 49.72679000 20.77552000 8.68236300 3.56560000 1.41936300 0.54197520 0.19691400 0.06762791 0.02322605 0.0001207878 -0.0000358857 0.0000077730 -0.0000027890 0.0005056406 -0.0001503507 0.0000325468 -0.0000116090 0.0022317934 -0.0006642822 0.0001440628 -0.0000519914 0.0086197081 -0.0025784344 0.0005582732 -0.0001977000 0.0292786161 -0.0088528083 0.0019287225 -0.0007021856 0.0856180708 -0.0267164251 0.0058263105 -0.0020422456 0.2047957738 -0.0684664957 0.0152509111 -0.0056269989 0.3645529904 -0.1444706775 0.0328817500 -0.0113218021 0.3464853643 -0.1976279106 0.0485934012 -0.0188294782 0.0952119781 -0.0280213429 0.0048852700 0.0016366659 0.0165379128 0.4471301273 -0.1330171932 0.0408338352 0.0212339837 0.5873521011 -0.2951590449 0.1309543234 0.0031044131 0.1061316110 -0.1315421687 0.0077616461 0.0000387548 -0.0047734077 0.7298505917 -0.2273571249 -0.0000244931 0.0022629561 0.4882831852 -0.9509343991 0.0000110757 -0.0004798000 -0.0083622229 1.5934338293 11 3 633.07082727 149.18134242 46.06592929 16.98353190 6.89629314 2.88266657 1.17552191 0.44970219 0.15759066 0.05019646 0.01598879 0.0009574360 -0.0001938386 0.0009261700 0.0078486812 -0.0015728095 0.0074617689 0.0397201577 -0.0081515641 0.0404366227 0.1310007560 -0.0271178122 0.1479524379 0.2823698143 -0.0614369604 0.3488532151 0.4053886311 -0.0814665819 0.0619138542 0.3082992752 -0.0743455017 -0.2382523640 0.0549930929 0.1274445634 -0.5074870324 -0.0005122715 0.5525228807 -0.3100403230 0.0006132410 0.4610014004 0.7374402387 -0.0001755741 0.0217766778 0.0612803522 7 1 14.08593493 7.11871742 3.32046811 1.39947951 0.57794595 0.24425845 0.09241781 0.0708499888 0.1301405969 0.3109639095 0.1829447708 0.1542553511 0.4103614928 0.2361777776 /Si.ano-r.Zobel.16s11p7d.4s3p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 14 2 16 4 458452.85720000 67233.72090500 13657.54997200 3549.36210110 1105.33603860 391.15037299 150.76131638 61.21599627 25.51700574 10.70194622 4.44475224 1.80368850 0.70625903 0.26332054 0.09202619 0.03216164 0.0001188294 -0.0000362430 0.0000084930 -0.0000130739 0.0004911363 -0.0001499251 0.0000351111 -0.0000534952 0.0021138460 -0.0006459100 0.0001515578 -0.0002359119 0.0080215791 -0.0024629505 0.0005768526 -0.0008666380 0.0271203762 -0.0084111863 0.0019829065 -0.0031420975 0.0800252002 -0.0255751999 0.0060319690 -0.0089026464 0.1952442912 -0.0666406906 0.0160636546 -0.0261921221 0.3573893265 -0.1435611618 0.0353406479 -0.0509411209 0.3569306540 -0.2034741453 0.0542393786 -0.1037696245 0.1079455262 -0.0479069400 0.0109991780 0.0275651513 0.0170990960 0.4296891346 -0.1397722344 0.2802539166 0.0228115119 0.6024663312 -0.3314774137 0.4943710749 0.0035064717 0.1182894599 -0.1201403250 -0.4719810984 0.0001217113 -0.0046851930 0.7360765132 -1.3705528571 -0.0000356273 0.0022386069 0.4862601782 1.3355843360 0.0000175949 -0.0004892599 -0.0098465801 0.1810806777 11 3 748.51252431 175.35979501 54.17554575 19.98329949 8.11457874 3.40228914 1.40383407 0.55147515 0.20232717 0.06888309 0.02345152 0.0009942929 -0.0002270802 0.0007188641 0.0081317663 -0.0018549499 0.0058532794 0.0412356321 -0.0095405922 0.0313250912 0.1365336141 -0.0321000334 0.1162541133 0.2939914334 -0.0714640078 0.2646715279 0.4141539867 -0.1025852034 0.0623975031 0.2866329811 -0.0780909149 -0.1170181757 0.0404169144 0.1910422671 -0.5688728145 0.0006288358 0.6136652347 -0.3150622357 -0.0000108711 0.3522513095 0.8548346374 0.0000307444 -0.0079137799 0.0983529061 7 1 16.64943889 8.39955926 3.89351241 1.64278756 0.69252003 0.30429641 0.11856060 0.0071616269 0.0130303494 0.0355691722 0.0346444887 0.1716192953 0.5394856414 0.4027877520 /P.ano-r.Zobel.16s11p7d.4s3p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 15 2 16 4 570424.45527000 82219.45203500 16587.92009500 4299.62803100 1336.32802690 471.57996307 181.14399141 73.34807531 30.56170168 12.86559709 5.39202957 2.22009247 0.88549812 0.33638184 0.11904717 0.04213137 0.0001199845 -0.0000381056 0.0000094313 -0.0000034446 0.0004893200 -0.0001555400 0.0000384777 -0.0000139497 0.0020592444 -0.0006551869 0.0001623743 -0.0000597946 0.0076832378 -0.0024562787 0.0006077834 -0.0002179447 0.0257868286 -0.0083217623 0.0020725017 -0.0007733008 0.0763164679 -0.0253501688 0.0063207101 -0.0022327783 0.1883226665 -0.0666072076 0.0169844098 -0.0064532179 0.3507622034 -0.1451276659 0.0379037197 -0.0130602279 0.3621260117 -0.2098042561 0.0595383421 -0.0240982938 0.1173750026 -0.0629715304 0.0165330201 -0.0001730208 0.0199228087 0.4193084660 -0.1484068396 0.0413104086 0.0270573666 0.6123922144 -0.3687836904 0.1788506564 0.0044005429 0.1253258717 -0.1010345991 -0.0367823636 0.0001432676 -0.0043038193 0.7627459853 -0.2166017879 -0.0000586584 0.0020473270 0.4530881399 -0.9829561719 0.0000194441 -0.0004606927 -0.0008833277 1.6242148446 11 3 879.63218253 204.31262632 63.23165555 23.33434500 9.45450537 3.96418163 1.65083954 0.66386352 0.25259699 0.08933452 0.03159442 0.0010214185 -0.0002589125 0.0005118792 0.0083303332 -0.0021164982 0.0041723526 0.0422163314 -0.0108528700 0.0220398702 0.1406647112 -0.0369826046 0.0810166911 0.3048417985 -0.0826277473 0.1847252973 0.4206852612 -0.1189480539 0.0846814314 0.2667421335 -0.0709061786 -0.0061967949 0.0314616683 0.2515779947 -0.6265249419 0.0016920301 0.6082687481 -0.3318111581 -0.0004855482 0.2948643377 0.9307690862 0.0001800263 -0.0014188712 0.1214173276 7 1 20.12334044 10.15473015 4.74399306 2.03155037 0.87001818 0.38684225 0.15239846 0.0049639824 0.0087165435 0.0269340886 0.0334488679 0.2067600472 0.5585813822 0.3473321263 /S.ano-r.Zobel.17s11p7d.4s3p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 16 2 17 4 1302321.28220000 186162.19480000 36823.49261100 9313.69480200 2826.62963130 978.95091902 372.15756349 150.78409824 63.68259753 27.56807646 12.06792850 5.27692841 2.27520227 0.95220413 0.37899178 0.13960504 0.05142478 0.0000730548 -0.0000244046 0.0000061489 -0.0000021812 0.0002759608 -0.0000922031 0.0000232359 -0.0000082980 0.0010909294 -0.0003650882 0.0000920138 -0.0000323683 0.0039068105 -0.0013089704 0.0003302461 -0.0001193474 0.0130142733 -0.0043946762 0.0011099502 -0.0003844978 0.0394886152 -0.0135032730 0.0034283905 -0.0012605294 0.1060408403 -0.0377444473 0.0096685636 -0.0032843352 0.2341930088 -0.0902516434 0.0236848951 -0.0089287796 0.3701460871 -0.1744054553 0.0478806336 -0.0156216407 0.2933086016 -0.1986767669 0.0593987920 -0.0252622766 0.0676695137 0.0242916793 -0.0106991750 0.0139828993 0.0280623361 0.5012410741 -0.2038739354 0.0516278448 0.0275570846 0.5330365281 -0.3867043671 0.2037941551 0.0039085891 0.0744951199 0.0251634185 -0.1280004754 -0.0000100734 0.0016326293 0.7767995309 -0.1734364637 0.0000179912 -0.0002702384 0.3820599365 -0.9999824147 -0.0000023876 0.0002317418 0.0019699606 1.6561082518 11 3 1004.99879720 231.87046968 71.71446810 26.44455465 10.69681872 4.48307061 1.87310932 0.75890884 0.29093408 0.10250427 0.03611514 0.0010746685 -0.0002889886 0.0004255143 0.0087346145 -0.0023614221 0.0034683468 0.0443030534 -0.0120971167 0.0181866774 0.1475303336 -0.0414301588 0.0660623815 0.3183511629 -0.0920012991 0.1475811065 0.4261534964 -0.1311438618 0.0956544405 0.2431572358 -0.0527646043 0.0245387348 0.0218505559 0.3145308770 -0.6727328081 0.0020273644 0.5959964193 -0.2545085094 -0.0008594733 0.2439606869 0.9560807346 0.0002730570 -0.0026458835 0.1020888365 7 1 21.45292372 10.56494478 4.86497590 2.10398807 0.93316769 0.43449440 0.17574472 0.0046289648 0.0094045148 0.0228492188 0.0516542828 0.2705025676 0.5404825589 0.2828428979 /Cl.ano-r.Zobel.17s11p7d5f.4s3p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 17 2 17 4 1565493.47430000 219887.17137000 43211.04538300 10918.60873900 3317.02552950 1149.89210070 437.20151793 177.03976257 74.73380655 32.37003156 14.20653385 6.24444706 2.71325548 1.14599635 0.45987200 0.16992767 0.06279011 0.0000751764 -0.0000255214 0.0000066798 -0.0000022760 0.0002826936 -0.0000959917 0.0000251281 -0.0000086252 0.0010951169 -0.0003724625 0.0000975233 -0.0000329107 0.0038463100 -0.0013097824 0.0003432360 -0.0001194877 0.0126210296 -0.0043310766 0.0011365762 -0.0003764704 0.0380018434 -0.0132011228 0.0034807571 -0.0012371432 0.1021504338 -0.0368984558 0.0098204923 -0.0031770230 0.2275833886 -0.0888102713 0.0241915858 -0.0088499057 0.3663972936 -0.1737939302 0.0495605477 -0.0152923423 0.3015697427 -0.2041700969 0.0632977904 -0.0264414484 0.0743605386 0.0098452227 -0.0057512025 0.0138418923 0.0282238305 0.4950994503 -0.2117450594 0.0475342413 0.0286768336 0.5430795316 -0.4065314612 0.2149770758 0.0041502571 0.0799582100 0.0370117686 -0.1551835751 0.0000504550 0.0021053094 0.7787023450 -0.1065589677 0.0000048158 -0.0001388268 0.3794417220 -1.0774135602 0.0000030836 0.0002083153 0.0010885256 1.6913351340 11 3 1162.64935730 266.89300477 82.37857002 30.35500063 12.28349389 5.15885813 2.16498826 0.88300856 0.34100813 0.12067675 0.04270537 0.0010873900 -0.0003046152 0.0004319630 0.0088061739 -0.0024884144 0.0035563202 0.0449083547 -0.0127839528 0.0184553734 0.1500624205 -0.0441800285 0.0680816020 0.3248032719 -0.0981181746 0.1488644899 0.4290333499 -0.1405518024 0.1163953548 0.2308603149 -0.0350996729 0.0049485198 0.0178488332 0.3446884699 -0.7608543043 0.0022634712 0.5732206657 -0.1043465497 -0.0009457349 0.2327844632 0.9059121656 0.0003011042 -0.0017970881 0.0824433148 7 1 24.31259136 11.77165544 5.44971836 2.42135558 1.10743061 0.52452431 0.21310861 0.0045723004 0.0095012865 0.0218795436 0.0579031036 0.2879460847 0.5334042765 0.2635690628 /Ar.ano-r.Zobel.17s12p7d.4s3p1d J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 18 2 17 4 1932006.32560000 268707.70405000 52366.11998900 13135.31540300 3964.39358110 1366.32705560 516.89344097 208.46767694 87.75032771 37.95199247 16.65654632 7.33224738 3.19477836 1.35431894 0.54555855 0.20219383 0.07493668 0.0000749748 -0.0000258942 0.0000069656 -0.0000022877 0.0002788754 -0.0000963392 0.0000259192 -0.0000085790 0.0010621312 -0.0003675097 0.0000989048 -0.0000321454 0.0036810500 -0.0012752471 0.0003434523 -0.0001154791 0.0119858435 -0.0041834608 0.0011284472 -0.0003590719 0.0360402172 -0.0127263644 0.0034480769 -0.0011870155 0.0974440565 -0.0357280219 0.0097725479 -0.0030268423 0.2198376916 -0.0868194027 0.0242893776 -0.0086333134 0.3620787406 -0.1725712611 0.0505525726 -0.0148531046 0.3113114237 -0.2100377837 0.0668647098 -0.0273071720 0.0824820274 -0.0066745507 0.0002093745 0.0130009598 0.0287961468 0.4884678906 -0.2169489454 0.0437405201 0.0304238889 0.5547265686 -0.4246990124 0.2231931744 0.0044007346 0.0847467612 0.0478159169 -0.1764829538 0.0001342764 0.0026416875 0.7803714710 -0.0505753016 -0.0000184709 -0.0000719028 0.3758308354 -1.1421109509 0.0000115956 0.0002018516 0.0003578588 1.7208550005 12 3 2311.61710770 522.21228654 158.41135353 58.08832140 23.81706906 10.32502474 4.55166660 1.98591568 0.84033436 0.33851979 0.12701070 0.04765369 0.0004652493 -0.0001344899 0.0001968203 0.0037619476 -0.0010863175 0.0015251633 0.0208088822 -0.0060809450 0.0090186048 0.0784160703 -0.0232482327 0.0335844641 0.2069587957 -0.0637697635 0.1049590592 0.3684044730 -0.1170071495 0.1467589688 0.3829197191 -0.1326060947 0.1275072223 0.1384193698 0.0614887999 -0.2026521405 0.0045805089 0.4236365696 -0.8132069647 0.0006441195 0.5034512353 0.2781039843 -0.0009561082 0.1684866340 0.7545171883 0.0001945502 -0.0009419743 0.0411324315 7 1 26.35108398 12.38811993 5.70060159 2.58371574 1.21855751 0.59195048 0.24509847 0.0049440771 0.0108447334 0.0220562359 0.0771694759 0.3267142973 0.5077945735 0.2274904236 /K.ano-r.Zobel.19s12p6d.4s3p1d J. 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Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 19 2 19 4 2068748.91180000 286697.59358000 55482.39679000 13812.37282100 4141.71568710 1420.53727890 535.65306122 215.57690960 90.60693619 39.14090634 17.16686202 7.56354278 3.31066202 1.42013864 0.58617508 0.22705738 0.07979164 0.02432526 0.00741579 0.0000829158 -0.0000289079 0.0000087865 -0.0000015650 0.0003069278 -0.0001070427 0.0000325347 -0.0000058000 0.0011661378 -0.0004073486 0.0001238996 -0.0000220438 0.0040389812 -0.0014130940 0.0004298095 -0.0000767693 0.0131424327 -0.0046334848 0.0014134814 -0.0002509394 0.0394299976 -0.0140837986 0.0043082258 -0.0007721872 0.1058030378 -0.0393292247 0.0121837400 -0.0021595039 0.2346377534 -0.0945914775 0.0299038443 -0.0054003484 0.3707051744 -0.1829220894 0.0609900486 -0.0108251960 0.2912034855 -0.2057120439 0.0738392387 -0.0138236980 0.0670126829 0.0369101250 -0.0163007841 0.0040557274 0.0324288040 0.5369226190 -0.2825019981 0.0517497273 0.0276667549 0.4904385032 -0.4410783273 0.0980037882 0.0031776761 0.0564904678 0.1643548600 -0.0561909936 0.0008134570 0.0275814038 0.7783155304 -0.1832314186 0.0001939284 0.0065110300 0.3163705252 -0.2991993748 0.0000217424 0.0006918129 -0.0138242896 0.2504840946 -0.0000081135 -0.0002476614 0.0063669860 0.9044704950 0.0000024494 0.0000743070 -0.0018386838 0.0342172075 12 3 2896.77682170 646.08811405 194.83773216 71.26864209 29.21393823 12.69725501 5.63788970 2.49530451 1.08157193 0.45165335 0.17798860 0.07014216 0.0004117053 -0.0001259866 0.0000313367 0.0032996903 -0.0010077688 0.0002797422 0.0184499362 -0.0057060984 0.0014044858 0.0708016151 -0.0221756697 0.0062555804 0.1928356038 -0.0628634767 0.0150739754 0.3567125988 -0.1198155842 0.0362872614 0.3920437681 -0.1439588483 0.0256413403 0.1588643541 0.0413343610 0.0146727998 0.0089731551 0.3986002250 -0.1942766810 0.0018447208 0.5126034805 0.0199869375 -0.0006581984 0.1911149649 -0.5424911514 0.0002114492 0.0008087712 1.3381140315 6 1 4.43779781 2.54147722 1.45271853 0.76316508 0.36608062 0.16839574 0.0627119471 0.0188531975 0.3286741746 0.4367884204 0.2841285917 0.0249935207 /Ca.ano-r.Zobel.19s13p6d.4s3p1d J. 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Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 20 2 19 4 2300423.37720000 322665.23714000 62239.75676400 15348.08129200 4556.73319350 1551.67229890 583.12643972 234.68957437 98.84926302 42.81104822 18.80684103 8.28693802 3.62529823 1.55767239 0.64894301 0.25786971 0.09565765 0.03220837 0.01084471 0.0000905885 -0.0000236910 0.0000063144 -0.0000023081 0.0003283608 -0.0000859181 0.0000228943 -0.0000083705 0.0012407633 -0.0003253467 0.0000867036 -0.0000316928 0.0042898709 -0.0011275825 0.0003001801 -0.0001098421 0.0139620092 -0.0037077624 0.0009868839 -0.0003610088 0.0418308299 -0.0113137367 0.0029991952 -0.0011012178 0.1117934915 -0.0318990602 0.0084219907 -0.0030996904 0.2463903003 -0.0783113724 0.0203919043 -0.0076009211 0.3872113966 -0.1584581201 0.0408836183 -0.0154140913 0.3042857220 -0.1876337837 0.0482842426 -0.0186404078 0.0595928005 0.0579380137 -0.0127399149 0.0056003741 -0.0196418880 0.6023909021 -0.2208629533 0.0806861460 -0.0177734524 0.5402667965 -0.3752034147 0.1290288486 -0.0026894540 0.0060613613 0.2529252392 -0.0872940142 -0.0043647757 -0.1024118958 0.8003868372 -0.3159030596 -0.0009196304 -0.0354746853 0.2332697017 -0.3417815990 -0.0000348453 0.0035318458 -0.0134801773 0.6402660751 0.0000125295 -0.0015219272 0.0064045589 0.6685061481 -0.0000046933 0.0004144497 -0.0015606086 -0.0106928661 13 3 3106.66318230 680.79734872 205.98783533 75.68387043 30.99688612 13.41866043 5.95304068 2.65545368 1.17041837 0.49660284 0.19389574 0.06467498 0.02157269 0.0004604323 -0.0001503863 0.0000346808 0.0037040332 -0.0012121283 0.0002765436 0.0202713485 -0.0066970260 0.0015485393 0.0770074740 -0.0259248157 0.0059231132 0.2073258506 -0.0724244305 0.0169151596 0.3745539126 -0.1366519113 0.0311398535 0.3793544162 -0.1467831792 0.0354133946 0.1314578829 0.0843628508 -0.0283622797 0.0065131860 0.4553811288 -0.1188581017 0.0011227406 0.4914903207 -0.1598380121 -0.0003788440 0.1193108078 0.0366911460 0.0001293980 -0.0031845023 0.6892137215 -0.0000428107 0.0017447757 0.3906786850 6 1 4.82393192 2.67433449 1.52254196 0.79811893 0.37044395 0.15788017 0.0746892753 0.0575904699 0.3862266227 0.4249374282 0.1980780804 0.0223510878 /Sc.ano-r.Zobel.19s12p8d5f.5s4p2d1f J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 21 3 19 5 2727602.05170000 380337.22292000 72930.42816800 17877.51156200 5277.06302430 1787.45300750 668.74931124 268.27837100 112.79885574 48.84695183 21.48986765 9.49497003 4.16760250 1.79584213 0.74886014 0.29666675 0.10899340 0.03599002 0.01188404 0.0000836838 -0.0000438529 0.0000092822 -0.0000023750 0.0000033919 0.0003005395 -0.0001575421 0.0000333512 -0.0000085348 0.0000121997 0.0011191451 -0.0005873735 0.0001244925 -0.0000318485 0.0000454302 0.0038222456 -0.0020089645 0.0004260791 -0.0001090717 0.0001562098 0.0123405465 -0.0065241265 0.0013908731 -0.0003557115 0.0005060905 0.0368401724 -0.0196817052 0.0042249897 -0.0010822670 0.0015550813 0.0984194817 -0.0542437128 0.0119311353 -0.0030511650 0.0043261785 0.2170260702 -0.1277247941 0.0293428647 -0.0075301772 0.0108757193 0.3390848538 -0.2360319318 0.0601878653 -0.0154206456 0.0217285521 0.2615271676 -0.2512986055 0.0742115787 -0.0192354907 0.0285316746 0.0743005815 0.0260281794 -0.0156746470 0.0042640131 -0.0088077705 0.1103439482 0.5512959580 -0.3020374686 0.0806909089 -0.1081493979 0.0958683593 0.4882605669 -0.4568313522 0.1317209724 -0.2285942579 0.0086847545 0.0432796406 0.2544025962 -0.0883728406 0.2082451210 0.0010842682 0.0043497580 0.8054044968 -0.3166044938 0.5662095868 -0.0006036362 -0.0038580235 0.2368947654 -0.3142017044 0.1351015130 0.0002734017 0.0015379559 -0.0112206307 0.5983795664 -1.8742355568 -0.0001044288 -0.0005923064 0.0056724659 0.6843533289 1.2193538779 0.0000322440 0.0001815125 -0.0014504706 -0.0016846200 0.3114351272 12 4 4143.36885140 899.67030323 268.66611828 97.88294441 40.03837583 17.41139276 7.77943550 3.49384007 1.54935416 0.66369447 0.26540758 0.10613496 0.0003651988 -0.0001225757 0.0000873017 -0.0001560521 0.0028783220 -0.0009652778 0.0006873745 -0.0011503313 0.0161949910 -0.0054936056 0.0039252960 -0.0071012818 0.0634860606 -0.0218321758 0.0156822839 -0.0263073327 0.1795901384 -0.0642649061 0.0470379281 -0.0889077798 0.3472747206 -0.1288480892 0.0933178930 -0.1504858309 0.3998371259 -0.1607597860 0.1129398832 -0.2155036691 0.1758474527 0.0300550305 -0.0553275758 0.2742426428 0.0129952074 0.4115831946 -0.5146705988 0.9550036115 0.0018308436 0.5191030354 -0.0608523185 -0.7247724735 -0.0005710850 0.1718553103 0.2967768261 -0.9550734324 0.0001945588 0.0021884943 0.7491862714 1.1350248539 8 2 48.80958245 14.17544602 4.99125819 1.93232722 0.76520746 0.29278248 0.10274495 0.03605586 0.0047670857 -0.0029330586 0.0301704026 -0.0158899844 0.1081141519 -0.0610808726 0.2528490429 -0.3766393716 0.3611581685 -0.3418805037 0.3816992734 0.2392021057 0.2158045521 0.5601794222 0.0419029495 0.2372199092 5 1 4.84631592 2.93953634 1.58923579 0.78184382 0.29566203 0.0344081017 0.0816344622 0.3176599510 0.4050158272 0.4144928581 /Ti.ano-r.Zobel.19s12p8d5f.5s4p3d1f J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 22 3 19 5 3133560.87260000 433170.55908000 82549.50303100 20139.01962000 5920.79047440 1998.40234680 745.35830029 298.26007429 125.19066009 54.17545793 23.84412463 10.55036692 4.64049600 2.00353668 0.83597263 0.33033403 0.12037713 0.03908072 0.01268765 0.0000904030 -0.0000366275 0.0000098618 -0.0000023879 0.0000048134 0.0003233357 -0.0001310565 0.0000352884 -0.0000085458 0.0000172475 0.0011897020 -0.0004829185 0.0001301533 -0.0000315105 0.0000634037 0.0040191736 -0.0016344557 0.0004406304 -0.0001067407 0.0002160761 0.0128784218 -0.0052731021 0.0014271915 -0.0003454299 0.0006921595 0.0383072434 -0.0158827062 0.0043168451 -0.0010464415 0.0021295208 0.1024832788 -0.0440607282 0.0121870322 -0.0029497415 0.0058765443 0.2273956781 -0.1055048296 0.0300367363 -0.0072954538 0.0149663693 0.3604803417 -0.2018271926 0.0618397889 -0.0150014536 0.0295655796 0.2870767488 -0.2263469358 0.0766392461 -0.0188116375 0.0402230450 0.0726100166 0.0330473352 -0.0158182724 0.0040706564 -0.0141696741 0.0550913593 0.5643115028 -0.3148427667 0.0799090429 -0.1418337553 0.0461689876 0.4906664924 -0.4590364436 0.1259693954 -0.3583645744 0.0042247849 0.0430034536 0.2776907705 -0.0917349415 0.4085385935 0.0008881222 0.0069636208 0.7932497719 -0.2999921172 0.7879976471 -0.0001526029 -0.0031670766 0.2321650910 -0.2724215288 -0.4693579691 0.0001143238 0.0014803844 -0.0090512557 0.4971906655 -1.3615369727 -0.0000424785 -0.0005637801 0.0063158331 0.7389338004 0.9767215552 0.0000134576 0.0001744198 -0.0012344097 0.0113818519 0.3162089311 12 4 4804.17058400 1033.07347880 306.58317224 111.30821129 45.47326708 19.78633142 8.85803793 3.98951236 1.77432760 0.76153076 0.30435853 0.12164199 0.0003555909 -0.0001213303 0.0000850852 -0.0001482714 0.0027745926 -0.0009458572 0.0006688791 -0.0010915812 0.0156765784 -0.0054066696 0.0037987276 -0.0067016517 0.0619268192 -0.0216497472 0.0154531911 -0.0252279309 0.1768515322 -0.0643882501 0.0461556220 -0.0847155179 0.3457427277 -0.1306909733 0.0949474006 -0.1495282924 0.4015554738 -0.1640033525 0.1131173923 -0.2170365190 0.1784316046 0.0312631037 -0.0566052572 0.2650312844 0.0137452114 0.4117798380 -0.5144347768 0.9241045283 0.0019500794 0.5135082651 -0.0301282355 -0.6188028952 -0.0005043042 0.1779365667 0.2267086423 -1.0671106298 0.0002001234 0.0028427003 0.7963996199 1.1663197888 8 3 59.23026074 17.29472675 6.14742472 2.40368621 0.96206156 0.37236138 0.13177716 0.04663539 0.0045905038 -0.0036317164 0.0017639017 0.0300249082 -0.0232542736 0.0097299873 0.1090658839 -0.0839040095 0.0260480955 0.2546228776 -0.2952261903 0.4745061460 0.3652188225 -0.3060093153 0.1337211612 0.3838243060 0.1444513030 -0.6949549586 0.2109270016 0.5627319199 -0.1440797149 0.0105976888 0.3435496717 0.8341368294 5 1 5.07060532 2.48157806 1.13205507 0.43973065 0.10137065 0.0528859349 0.2122020932 0.4330168708 0.4601579520 0.1809020953 /V.ano-r.Zobel.20s12p8d5f.5s3p3d1f J. 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Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 23 3 20 5 6131334.30070000 846052.84719000 159571.45629000 38383.61509900 11122.15699500 3706.84740460 1369.65841570 545.16635352 228.64889454 99.36696029 44.17245978 19.87899011 8.97343606 4.02460892 1.77360506 0.75720678 0.30742462 0.11583964 0.03925383 0.01330169 0.0000625681 -0.0000222335 0.0000068563 -0.0000016236 0.0000032526 0.0002173706 -0.0000772751 0.0000238369 -0.0000056446 0.0000113164 0.0007609111 -0.0002707879 0.0000835170 -0.0000197773 0.0000395816 0.0024474125 -0.0008725896 0.0002695276 -0.0000638258 0.0001281832 0.0075670400 -0.0027101041 0.0008367630 -0.0001981631 0.0003956064 0.0222151388 -0.0080326494 0.0024936622 -0.0005906090 0.0011899702 0.0608340626 -0.0225234747 0.0070125697 -0.0016612741 0.0033050112 0.1475824325 -0.0576012233 0.0182935176 -0.0043364300 0.0087765190 0.2882906423 -0.1269495348 0.0413419908 -0.0098129402 0.0194263216 0.3690920130 -0.2102134201 0.0736755308 -0.0175498626 0.0360202781 0.2054867398 -0.1644800891 0.0612016908 -0.0146681654 0.0274675522 0.0345296044 0.2118080289 -0.0952150158 0.0230941896 -0.0405793452 0.0328900732 0.6384852443 -0.4260873783 0.1088181057 -0.2320378384 0.0140717353 0.3175973748 -0.3134571338 0.0838838521 -0.2322563145 0.0012331034 0.0081442963 0.5181653590 -0.1635093691 0.6276814481 0.0002212957 0.0064373136 0.6844085457 -0.2985301721 0.5691020352 0.0001019134 -0.0027250426 0.1222235087 -0.1786923322 -0.7021413886 -0.0000209204 0.0012458418 -0.0029013006 0.5618266446 -1.1404917254 0.0000104941 -0.0004516615 0.0030425982 0.6623949390 1.0149014974 -0.0000023788 0.0001419120 -0.0003698588 0.0039761908 0.2768916145 12 3 5531.51762440 1178.14799150 347.42190562 125.68488569 51.28005955 22.32247632 10.00885433 4.51687703 2.01245232 0.86444708 0.34518575 0.13783747 0.0003476942 -0.0001207142 0.0000877551 0.0026845596 -0.0009313854 0.0006820814 0.0152188973 -0.0053412308 0.0038905260 0.0605280589 -0.0215379304 0.0159173571 0.1743174851 -0.0646166626 0.0480092587 0.3442259515 -0.1327042728 0.0999766546 0.4032085753 -0.1673878964 0.1212669258 0.1809256145 0.0320592307 -0.0651328801 0.0144321802 0.4151485418 -0.5381685678 0.0020249346 0.5109921998 -0.0168622585 -0.0004609233 0.1769266382 0.2658245080 0.0001991467 0.0030938724 0.7576917273 8 3 68.84795658 20.15341727 7.20923035 2.83695006 1.14102132 0.44277848 0.15653612 0.05534044 0.0046387883 -0.0039240754 0.0033005195 0.0309125395 -0.0260169919 0.0219091067 0.1132112432 -0.0952993867 0.0684963895 0.2618698471 -0.2796505778 0.4569389694 0.3727261635 -0.2851718694 0.1206253409 0.3755418301 0.1577582275 -0.6734920554 0.2063097424 0.5464223247 -0.1591379069 -0.0133330591 0.3684740901 0.8323019419 5 1 5.13653893 3.12245649 1.57883582 0.70117813 0.24744122 0.0749423617 0.1238983080 0.3858621207 0.4304265446 0.2767403988 /Cr.ano-r.Zobel.20s12p9d5f.5s3p3d1f J. 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Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 24 3 20 5 7188854.72340000 980845.60172000 184438.18049000 44381.20847800 12868.68126500 4286.47655100 1580.36088370 626.94465300 262.04352651 113.61256436 50.49697701 22.78579581 10.34070859 4.66939874 2.06918931 0.88327490 0.35420570 0.12906959 0.04092978 0.01297941 0.0000640000 -0.0000199851 0.0000071913 -0.0000015972 0.0000023330 0.0002225018 -0.0000695146 0.0000250191 -0.0000055569 0.0000080973 0.0007655267 -0.0002394395 0.0000861579 -0.0000191347 0.0000280515 0.0024167782 -0.0007575689 0.0002729073 -0.0000606237 0.0000877740 0.0073568445 -0.0023170505 0.0008340296 -0.0001852121 0.0002741190 0.0214027010 -0.0068119648 0.0024615182 -0.0005470294 0.0007823249 0.0585360750 -0.0190967994 0.0069021449 -0.0015330231 0.0023004863 0.1432006163 -0.0494177754 0.0180885264 -0.0040252411 0.0056654197 0.2848785980 -0.1114517906 0.0412887054 -0.0091891462 0.0140779650 0.3783266239 -0.1930428319 0.0750375337 -0.0168076940 0.0227041665 0.2256074920 -0.1652544302 0.0669547372 -0.0150259493 0.0269079862 0.0309395524 0.1851164217 -0.0849538998 0.0192561748 -0.0400119680 0.0070474972 0.6290946366 -0.4218188056 0.1020993359 -0.1203815178 0.0015706268 0.3427139222 -0.3438282431 0.0866172683 -0.2253455841 0.0009031158 0.0172181721 0.4800690637 -0.1433935699 0.4547693264 0.0000294492 0.0116218827 0.7064794924 -0.2868881230 0.1648808254 0.0002041024 -0.0013757758 0.1432764521 -0.1712363464 0.5408568786 -0.0000586901 0.0010241331 -0.0045539809 0.4865372688 -2.5272601344 0.0000228519 -0.0003554653 0.0037247682 0.7416434669 2.2397908419 -0.0000064478 0.0001090579 -0.0005317379 -0.0272593414 -0.5067998788 12 3 6166.60532630 1303.44322680 382.44130712 137.93375144 56.19570381 24.45409739 10.96500348 4.94400022 2.19424232 0.93320769 0.36512925 0.14286141 0.0003536679 -0.0001246123 0.0000463074 0.0027047086 -0.0009528990 0.0003780382 0.0153355598 -0.0054633418 0.0020111164 0.0611822637 -0.0221226943 0.0089037551 0.1763907263 -0.0664493593 0.0243524596 0.3480775109 -0.1367706758 0.0577972606 0.4027369517 -0.1691943785 0.0539504783 0.1750063728 0.0446412802 -0.0059647059 0.0132324720 0.4331418222 -0.3071676939 0.0019987015 0.5050986212 0.0219369109 -0.0003969644 0.1592605861 -0.2776456874 0.0001842642 0.0007192306 1.1740562447 9 3 101.64299744 30.00178906 10.95950530 4.45097897 1.86713518 0.76899288 0.29919097 0.10595824 0.03752502 0.0027382019 -0.0010250720 0.0024612422 0.0201149076 -0.0080799963 0.0185379883 0.0780439836 -0.0289469388 0.0696491243 0.1994658289 -0.0860819210 0.2055211388 0.3277500091 -0.1245547564 0.3194662949 0.3619194300 -0.1234158048 0.0033890922 0.2942033142 0.1185646450 -0.3776220083 0.0451773657 -0.0366199547 -0.7872962470 0.1091696577 0.9704456818 0.7103878704 5 1 5.45895246 3.15525600 1.52541451 0.63021672 0.22147556 0.0938064475 0.1604586348 0.4417057963 0.4091890746 0.1947626641 /Mn.ano-r.Zobel.20s12p9d5f.5s3p3d1f J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 25 3 20 5 7856301.29860000 1078783.36110000 202130.08165000 48256.64673200 13874.88188400 4590.10109470 1684.84488570 666.96960246 278.58316768 120.73187984 53.58397803 24.09483220 10.86958039 4.86866042 2.13893139 0.90745199 0.36432978 0.13482240 0.04445450 0.01465782 0.0000676896 -0.0000204406 0.0000074508 -0.0000017995 0.0000019036 0.0002333406 -0.0000704978 0.0000257025 -0.0000062077 0.0000065703 0.0007999069 -0.0002419908 0.0000882032 -0.0000213016 0.0000225184 0.0025188801 -0.0007636801 0.0002786530 -0.0000673087 0.0000713347 0.0076561708 -0.0023339362 0.0008507554 -0.0002054468 0.0002167540 0.0222281374 -0.0068487941 0.0025055517 -0.0006054346 0.0006433573 0.0605765266 -0.0191785164 0.0070104113 -0.0016931466 0.0017811414 0.1473825350 -0.0494769656 0.0182887706 -0.0044243413 0.0047195317 0.2908632422 -0.1116633039 0.0416049049 -0.0100649841 0.0105465084 0.3808337710 -0.1924627277 0.0748665639 -0.0182114761 0.0196407755 0.2204634825 -0.1597532010 0.0643391375 -0.0156651606 0.0157746576 0.0250761201 0.2146205633 -0.0978353383 0.0240645824 -0.0233167083 -0.0011372013 0.6491974971 -0.4429456744 0.1153637273 -0.1306305936 -0.0027051573 0.3143294282 -0.2993809862 0.0808978650 -0.0865012781 0.0007262062 0.0044650487 0.5555041203 -0.1774716766 0.2332439695 -0.0001952974 0.0023285311 0.6662593914 -0.3051277061 0.4005856779 0.0002131298 -0.0031175846 0.1050208514 -0.1559869768 -0.2028695405 -0.0000795041 0.0012358634 -0.0018073875 0.6176657135 -0.9918142275 0.0000306126 -0.0003326651 0.0016961325 0.6668558512 0.3050811876 -0.0000089443 0.0001249545 -0.0002134630 -0.0836469744 0.8964244108 12 3 7164.70271740 1498.96365750 436.72775798 156.89134796 63.82705933 27.78615688 12.48144171 5.64607630 2.51993546 1.08251373 0.43120965 0.17176850 0.0003383105 -0.0001206645 0.0001140421 0.0025530421 -0.0009103557 0.0008570779 0.0145203157 -0.0052360724 0.0049698242 0.0583882318 -0.0213573105 0.0202776097 0.1705001682 -0.0649922605 0.0632318672 0.3423054856 -0.1361200756 0.1314496334 0.4058822479 -0.1726950346 0.1695672512 0.1842396455 0.0345784427 -0.1185293988 0.0153500410 0.4217756784 -0.7229741945 0.0021131082 0.5064924682 0.0846866704 -0.0004101423 0.1736785324 0.5756864601 0.0001988166 0.0037204005 0.4152325224 9 3 133.43220037 39.47680893 14.63557050 6.04639459 2.59828599 1.11314642 0.45770750 0.17086319 0.06378359 0.0020464131 -0.0011047617 0.0020087825 0.0158968860 -0.0090607501 0.0161941571 0.0635861154 -0.0344150877 0.0619526297 0.1722007010 -0.1030730760 0.1905853035 0.3012578307 -0.1669863821 0.3622153851 0.3547655103 -0.1416490467 0.0424777068 0.3061764844 0.1455081724 -0.3572219304 0.1658506912 0.1821624917 -0.7587153677 -0.0293769610 0.7832667368 0.9092864693 5 1 5.61052882 3.02793624 1.40675209 0.57575109 0.21318610 0.1183044226 0.2213699903 0.4665109427 0.3505982077 0.1444459572 /Fe.ano-r.Zobel.20s12p9d5f.5s4p2d1f J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 26 3 20 5 8687133.23130000 1196444.02820000 224240.11528000 53455.37737300 15331.41282500 5057.50474780 1851.36196900 731.24610298 304.95778215 132.05924105 58.60759483 26.36596201 11.90212643 5.33350148 2.34230814 0.99190344 0.39659098 0.14568517 0.04748168 0.01547522 0.0000698879 -0.0000234405 0.0000082052 -0.0000018750 0.0000029038 0.0002390183 -0.0000802039 0.0000280812 -0.0000064172 0.0000099428 0.0008105867 -0.0002723394 0.0000953444 -0.0000217880 0.0000337189 0.0025247365 -0.0008499798 0.0002979155 -0.0000680897 0.0001056324 0.0076063431 -0.0025739582 0.0009018844 -0.0002060969 0.0003183429 0.0219474232 -0.0074995285 0.0026388477 -0.0006033752 0.0009385198 0.0595905169 -0.0208792056 0.0073603693 -0.0016826004 0.0025915564 0.1448319058 -0.0535438432 0.0191656320 -0.0043892537 0.0068536349 0.2859667921 -0.1197612156 0.0436634043 -0.0100091441 0.0153562952 0.3750202589 -0.2033594808 0.0785938709 -0.0181376160 0.0286431796 0.2179926928 -0.1676584916 0.0683380275 -0.0158377542 0.0233243510 0.0322653161 0.2123007847 -0.1025681042 0.0241723994 -0.0337750640 0.0180937213 0.6448682790 -0.4599219564 0.1154740723 -0.1918663235 0.0065825490 0.3089064203 -0.3005154305 0.0781981420 -0.1393497611 0.0009803542 0.0123004580 0.5701142159 -0.1782911090 0.4148416603 0.0000310776 0.0112757320 0.6613829692 -0.3002505308 0.4832033004 0.0001371731 -0.0016544819 0.0947536870 -0.1447898341 -0.3304741553 -0.0000412795 0.0011412713 0.0000859161 0.6249583469 -1.4743956240 0.0000198548 -0.0003095368 0.0032394705 0.5939804257 1.2574728662 -0.0000049990 0.0001163068 -0.0001558771 0.0005178012 0.1971393643 12 4 8113.80471530 1680.70733040 486.69379419 174.22328164 70.75288332 30.78600785 13.83479564 6.26424651 2.79838948 1.20206901 0.47765705 0.18980296 0.0003340867 -0.0001211537 0.0000908282 -0.0001366023 0.0024938264 -0.0009044045 0.0006816985 -0.0009662901 0.0141878778 -0.0052021080 0.0039079450 -0.0059622825 0.0573335513 -0.0213301796 0.0162166689 -0.0229384351 0.1685930650 -0.0653615633 0.0500444384 -0.0789837023 0.3412746774 -0.1382390441 0.1073920654 -0.1481135303 0.4071611868 -0.1759503435 0.1348513664 -0.2292584516 0.1860852415 0.0352894017 -0.0805359132 0.2916487541 0.0159254371 0.4276117659 -0.5721696932 0.8846546239 0.0021811645 0.5073936536 0.0134088256 -0.6799534895 -0.0003755215 0.1663272429 0.3298423700 -0.9774684227 0.0001875179 0.0023590589 0.6921796587 1.1906782611 9 2 146.19036876 43.25654632 16.04702095 6.63454728 2.84770999 1.21346326 0.49365932 0.18164444 0.06683699 0.0022047213 -0.0023098235 0.0171405410 -0.0188361049 0.0690069091 -0.0724745146 0.1848923541 -0.2183669985 0.3171339343 -0.3605755812 0.3620269479 -0.0909831043 0.2935231783 0.4288079615 0.1157922469 0.4986111697 0.0010708502 0.1015932194 5 1 6.33785274 3.43003493 1.60535269 0.66286853 0.24576115 0.1198070515 0.2182107003 0.4636301380 0.3544937865 0.1412416009 /Co.ano-r.Zobel.20s12p9d5f.5s3p2d1f J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 27 3 20 5 9616751.79660000 1325187.88740000 248036.88489000 58985.20462400 16869.09563900 5549.15369400 2026.45812710 798.97705794 332.84472433 144.07695642 63.94880928 28.78023754 12.99612874 5.82256236 2.55388729 1.07835791 0.42890133 0.15624773 0.05030648 0.01619698 0.0000732402 -0.0000224237 0.0000079612 -0.0000018745 0.0000005025 0.0002495224 -0.0000764344 0.0000271418 -0.0000063910 0.0000017203 0.0008381803 -0.0002571168 0.0000912844 -0.0000214932 0.0000057285 0.0025849738 -0.0007947632 0.0002824397 -0.0000665122 0.0000180918 0.0077217825 -0.0023877190 0.0008478567 -0.0001996134 0.0000523307 0.0221415186 -0.0069195359 0.0024653818 -0.0005807547 0.0001613086 0.0598837639 -0.0192321624 0.0068486458 -0.0016124264 0.0004117869 0.1454366352 -0.0494851619 0.0178131084 -0.0041997895 0.0011997082 0.2879762333 -0.1119578339 0.0406418548 -0.0095781104 0.0023471376 0.3811294259 -0.1941993496 0.0735751978 -0.0174139707 0.0053261558 0.2257359376 -0.1649397400 0.0649665338 -0.0153630035 0.0024233348 0.0265304588 0.2153155601 -0.0971346833 0.0231431213 -0.0019634555 -0.0022609288 0.6605264821 -0.4467336866 0.1112828708 -0.0402922220 -0.0030948055 0.3170349685 -0.2870669674 0.0720060229 -0.0006284313 0.0006005077 -0.0045803664 0.5792287760 -0.1694726271 0.0174444698 -0.0002813629 -0.0081015514 0.6554232174 -0.2796536783 0.1519037952 0.0001845413 -0.0042503432 0.0914523556 -0.1435346140 -0.1765034472 -0.0000718867 0.0009134149 0.0003732558 0.5584729265 0.3181534266 0.0000291069 -0.0005446059 0.0032640944 0.6840780531 -1.4578199127 -0.0000081786 0.0001158442 0.0001250022 -0.0487507674 1.7446845299 12 3 9124.92264310 1872.61888220 539.12372345 192.35020956 77.99016053 33.92143209 15.24900993 6.90915610 3.08801120 1.32606453 0.52587930 0.20854870 0.0003317667 -0.0001214887 0.0000894002 0.0024483952 -0.0008967630 0.0006633239 0.0139197834 -0.0051540463 0.0038001968 0.0564662512 -0.0212169110 0.0158262927 0.1670091189 -0.0653997436 0.0491103351 0.3404552903 -0.1394521440 0.1063845239 0.4082602256 -0.1779697247 0.1344970743 0.1875538953 0.0360656917 -0.0817694364 0.0163487840 0.4296259683 -0.5569044170 0.0022228081 0.5056666398 0.0023866262 -0.0003482278 0.1658864856 0.3244708283 0.0001883812 0.0025991007 0.7018453304 9 2 160.50535837 47.49999190 17.64671558 7.30777711 3.13717622 1.33306611 0.53882497 0.19642501 0.07160541 0.0022512885 -0.0023925653 0.0175476815 -0.0194398612 0.0709788520 -0.0759930720 0.1887519540 -0.2237519043 0.3186936363 -0.3513394197 0.3592200426 -0.0818747664 0.2885277375 0.4148604080 0.1188241534 0.4832003811 0.0119917696 0.1406185298 5 1 6.98057299 3.75172310 1.81265985 0.75497508 0.27731876 0.1258670747 0.2086666883 0.4492293675 0.3646746135 0.1514304084 /Ni.ano-r.Zobel.20s12p9d5f.5s4p2d1f J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 28 3 20 5 10669978.08800000 1471445.73610000 275041.71360000 65229.33602600 18590.32864800 6092.93714020 2217.36317280 871.69517005 362.34519423 156.63219271 69.48037040 31.27027141 14.12515216 6.32965645 2.77491377 1.16943100 0.46316719 0.16746496 0.05327375 0.01694738 0.0000757112 -0.0000232442 0.0000086850 -0.0000019322 0.0000009913 0.0002566647 -0.0000788395 0.0000294627 -0.0000065551 0.0000033523 0.0008542639 -0.0002627829 0.0000981891 -0.0000218449 0.0000112569 0.0026095595 -0.0008045935 0.0003009014 -0.0000669546 0.0000339589 0.0077337257 -0.0023984000 0.0008963799 -0.0001994174 0.0001040804 0.0220563549 -0.0069124155 0.0025915072 -0.0005768677 0.0002875608 0.0594790515 -0.0191543736 0.0071793772 -0.0015975406 0.0008506257 0.1444338266 -0.0492436170 0.0186468786 -0.0041562195 0.0020223438 0.2866266881 -0.1115539576 0.0426100734 -0.0095003799 0.0052154468 0.3812577908 -0.1939167354 0.0771796535 -0.0173061787 0.0079178405 0.2279385749 -0.1660566099 0.0687735251 -0.0154498694 0.0105237320 0.0273874909 0.2139838451 -0.1017281834 0.0231657897 -0.0178985498 -0.0019709613 0.6557748108 -0.4623108042 0.1109912803 -0.0439673585 -0.0028987408 0.3116920958 -0.2878379601 0.0700169095 -0.0835447205 0.0005366882 0.0037947050 0.5887772432 -0.1699975935 0.2235466369 -0.0003357212 0.0012243738 0.6514349085 -0.2769129689 -0.0249162178 0.0001688023 -0.0028092521 0.0868452667 -0.1361703490 0.2422571174 -0.0000685772 0.0008579533 -0.0001761613 0.5665276203 -1.3822633827 0.0000272947 -0.0004858378 0.0021995103 0.6700021927 2.4788028453 -0.0000077691 0.0001096595 0.0002415880 -0.0443714557 -1.9438986660 12 4 10233.06677400 2080.86779690 595.58421450 211.75501134 85.70172639 37.25006686 16.74581197 7.58982276 3.39276897 1.45603382 0.57614027 0.22797383 0.0003295475 -0.0001219175 0.0000847849 -0.0001378613 0.0024035559 -0.0008895700 0.0006240274 -0.0009580888 0.0136495454 -0.0051061797 0.0035545160 -0.0058705982 0.0555788755 -0.0211019921 0.0149334478 -0.0228440394 0.1653619567 -0.0654313328 0.0463077213 -0.0789531491 0.3395355220 -0.1406793206 0.1020675179 -0.1525346179 0.4094257214 -0.1801325759 0.1279591166 -0.2385697372 0.1892008249 0.0364061681 -0.0749407020 0.2935891483 0.0168203063 0.4323232086 -0.5317083417 0.8977962991 0.0022834743 0.5055726455 0.0086424298 -0.6529036408 -0.0003225666 0.1631435650 0.2550371505 -1.0144776775 0.0001843049 0.0021801203 0.7620829626 1.1622564521 9 2 175.67693735 51.97738654 19.32965942 8.01424781 3.44085025 1.45906335 0.58684658 0.21229367 0.07679793 0.0023221713 -0.0026963302 0.0181573378 -0.0220218385 0.0737859489 -0.0867402785 0.1950268454 -0.2537111808 0.3249806116 -0.3750696785 0.3610669005 -0.0226670636 0.2818855740 0.4834206094 0.1061888043 0.4245833262 0.0072599744 0.0834541304 5 1 7.81939654 4.23423519 2.01365347 0.83940592 0.31147589 0.1241629902 0.2117872915 0.4577806771 0.3586308116 0.1435997034 /Cu.ano-r.Zobel.21s13p9d5f.5s3p2d1f J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 29 3 21 5 12928090.33600000 1782352.25470000 334678.58520000 79762.79930900 22795.94788700 7470.53821760 2711.83103330 1062.22953560 440.26862967 190.26218110 84.72805855 38.47541515 17.62050172 8.02988549 3.57795078 1.52262497 0.59983092 0.21001576 0.06203815 0.01448624 0.00338261 0.0000727271 -0.0000224533 0.0000082507 -0.0000017858 0.0000028639 0.0002462605 -0.0000760715 0.0000279577 -0.0000060505 0.0000096988 0.0008009012 -0.0002477081 0.0000910270 -0.0000197065 0.0000316234 0.0023870759 -0.0007402010 0.0002722233 -0.0000588942 0.0000942906 0.0069245450 -0.0021575843 0.0007930982 -0.0001718096 0.0002762583 0.0194911673 -0.0061379548 0.0022624580 -0.0004891462 0.0007810919 0.0523978736 -0.0168839943 0.0062232827 -0.0013498073 0.0021776693 0.1287421681 -0.0437460771 0.0162712592 -0.0035162751 0.0055959856 0.2636349294 -0.1005591554 0.0377115922 -0.0082032329 0.0133069149 0.3772265923 -0.1840056129 0.0715899539 -0.0154854348 0.0244794618 0.2634894760 -0.1857469850 0.0753040160 -0.0166510595 0.0278798655 0.0465761312 0.1226290419 -0.0554019985 0.0127268996 -0.0227319642 -0.0025248305 0.6197586191 -0.3992237228 0.0901177753 -0.1399571469 -0.0034097551 0.4117842138 -0.3919282580 0.0956096323 -0.2041305478 0.0002425988 0.0224247655 0.4247758388 -0.1218758094 0.3481131136 -0.0000465758 -0.0042817988 0.7415177716 -0.2478029909 0.3675285555 0.0001533193 -0.0043890149 0.1725003046 -0.2112558726 0.0850505696 -0.0000427509 0.0009070871 -0.0063838164 0.4558050478 -1.5171331108 0.0000158083 -0.0004126642 0.0037198629 0.7491191601 0.8343799375 -0.0000049881 0.0001104244 -0.0007410950 0.0070491051 0.5336399266 0.0000014869 -0.0000333723 0.0002247304 0.0064174327 -0.0987862191 13 3 21037.02827400 4087.28400790 1125.65896590 390.20951446 156.32662428 68.24699512 31.22379152 14.58341451 6.81436293 3.11907662 1.35876051 0.53940536 0.21413497 0.0001532719 -0.0000569390 0.0000460746 0.0010276038 -0.0003823950 0.0003100911 0.0059343263 -0.0022192404 0.0017980581 0.0256486873 -0.0096972102 0.0079044704 0.0860766018 -0.0333780335 0.0273535403 0.2148883816 -0.0868062720 0.0724839133 0.3723091977 -0.1593755674 0.1328249619 0.3570475578 -0.1483275630 0.1252003373 0.1211523601 0.1314745519 -0.2430169620 0.0084857227 0.4714504579 -0.5757810778 0.0012812192 0.4470415197 0.2029074773 -0.0000160075 0.1161453254 0.4184513489 0.0000685809 0.0006514522 0.5297340803 9 2 171.80704483 50.78282631 18.78240143 7.72174325 3.26120269 1.34060425 0.51337687 0.17447158 0.05929432 0.0029090873 -0.0034642308 0.0221587984 -0.0272569361 0.0882649104 -0.1071085218 0.2214277755 -0.2924541055 0.3434051979 -0.3522954341 0.3596327143 0.0741707524 0.2583213278 0.5341016123 0.0844037312 0.3633328062 0.0036333384 0.0315589700 5 1 9.30834713 5.15319767 2.54483183 1.09016477 0.39901038 0.1050676592 0.1696401092 0.4295005426 0.3952181267 0.1980863806 /Zn.ano-r.Zobel.20s13p9d5f.5s4p2d1f J. P. Zobel, P.-O. Widmark, V. Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 30 3 20 5 12740314.87800000 1760129.31090000 328866.99471000 77836.71209100 22115.66847700 7222.67762600 2619.15329270 1026.36865910 425.55597740 183.63280273 81.37564331 36.60687228 16.53006475 7.40079072 3.23692131 1.35734156 0.53269333 0.18970699 0.05895697 0.01832259 0.0000789665 -0.0000329694 0.0000100719 -0.0000020879 0.0000039333 0.0002663816 -0.0001112637 0.0000339995 -0.0000070478 0.0000132852 0.0008699316 -0.0003637957 0.0001111980 -0.0000230542 0.0000433925 0.0026041365 -0.0010911058 0.0003339632 -0.0000692217 0.0001307046 0.0075755604 -0.0031893377 0.0009771698 -0.0002026622 0.0003804458 0.0212948258 -0.0090398843 0.0027844899 -0.0005771356 0.0010938067 0.0568386829 -0.0246580571 0.0076444575 -0.0015868652 0.0029663964 0.1373006677 -0.0623141617 0.0197548147 -0.0040983747 0.0078108181 0.2718708920 -0.1374751864 0.0452051219 -0.0094170569 0.0174989583 0.3609154174 -0.2290113966 0.0821205845 -0.0171411556 0.0331825260 0.2151195225 -0.1898561828 0.0745216576 -0.0158128874 0.0277379876 0.0491731955 0.2080328353 -0.1083644679 0.0236126069 -0.0374119948 0.0604063223 0.6468500886 -0.4857444211 0.1104754712 -0.2318258628 0.0263592781 0.3025285628 -0.2852395497 0.0685829477 -0.1612610344 0.0022404159 0.0157327443 0.6039667135 -0.1770390064 0.6174216848 0.0012519750 0.0140375579 0.6416004355 -0.2630306343 0.2691081080 0.0000864825 -0.0010240920 0.0814032584 -0.1463134988 -0.3652227204 0.0000195035 0.0008674201 -0.0014986968 0.6297137285 -1.2539276331 -0.0000075130 -0.0003303814 0.0006122773 0.5909938499 1.0829168941 0.0000023541 0.0000981443 -0.0000791595 -0.0078084339 0.2544143994 13 4 24023.40773400 4616.39574170 1261.16249600 434.87926800 173.69850483 75.72467509 34.63176126 16.18082063 7.57065550 3.47640041 1.52509948 0.61392168 0.24713131 0.0001496941 -0.0000561647 0.0000158909 -0.0000659943 0.0009875704 -0.0003712316 0.0000961167 -0.0004511208 0.0056732138 -0.0021425105 0.0006243674 -0.0024946097 0.0245890536 -0.0093889265 0.0023853865 -0.0115662908 0.0830610219 -0.0325042848 0.0097079942 -0.0381550911 0.2097227641 -0.0855275998 0.0211384686 -0.1100905829 0.3689389478 -0.1593383720 0.0515476308 -0.1856469045 0.3619648020 -0.1529770527 0.0245524484 -0.2203773746 0.1276919202 0.1225218477 -0.0065696743 0.4919840779 0.0095508007 0.4660235524 -0.2439676282 0.7859138528 0.0014577570 0.4523625553 0.0390816093 -0.5696692250 -0.0000100879 0.1223763026 -0.3882221112 -1.0719458620 0.0000735835 0.0012728913 1.2543747232 0.8183851361 9 2 208.95665304 61.79696488 23.02707169 9.56820450 4.10967424 1.73748341 0.69373002 0.24802047 0.08867160 0.0023893780 -0.0030816818 0.0187889467 -0.0252245283 0.0770074614 -0.1014529687 0.2017758918 -0.2897828318 0.3301040108 -0.3903453645 0.3595750045 0.0440231259 0.2751373911 0.5386307267 0.1019507314 0.3576835619 0.0031768490 0.0170371793 5 1 10.33929955 5.52576262 2.64725498 1.10953637 0.40899898 0.1073708735 0.1998314772 0.4525951185 0.3764408782 0.1577202331 /Ga.ano-r.Zobel.20s15p9d6f.5s4p3d1f J. 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Veryazov, The ANO-R Basis Set, JCTC 2020, 16, 278-294, https://doi.org/10.1021/acs.jctc.9b00873 comment line 31 3 20 5 14171032.01100000 1981980.47440000 372245.01188000 88199.83870900 25037.35891100 8164.12506340 2956.29272850 1157.35678760 479.66183247 206.99950049 91.78916480 41.35028688 18.72467078 8.42829825 3.72226164 1.58718548 0.64021696 0.23800950 0.07891029 0.02616212 0.0000798609 -0.0000330665 0.0000138394 -0.0000024726 0.0000008737 0.0002669252 -0.0001105656 0.0000462859 -0.0000082703 0.0000029247 0.0008607978 -0.0003569651 0.0001494757 -0.0000267101 0.0000094284 0.0025426415 -0.0010564091 0.0004428646 -0.0000791653 0.0000280515 0.0073065829 -0.0030494100 0.0012796165 -0.0002287906 0.0000805049 0.0203429074 -0.0085573311 0.0036066795 -0.0006458261 0.0002298328 0.0539713862 -0.0231615791 0.0098172114 -0.0017603709 0.0006161827 0.1304730114 -0.0583807355 0.0252076907 -0.0045475186 0.0016283140 0.2612222343 -0.1290894638 0.0575036518 -0.0104648731 0.0036343438 0.3579514105 -0.2183941982 0.1047092667 -0.0195036562 0.0070862277 0.2278122936 -0.1930485071 0.1005771288 -0.0192147290 0.0062963217 0.0545248588 0.1612127420 -0.1095540890 0.0224405963 -0.0066965857 0.0640300087 0.5818453265 -0.5413013816 0.1243368361 -0.0472024498 0.0315345414 0.2964282851 -0.3667808122 0.0906109492 -0.0258009744 0.0048891327 0.0815804702 0.5510348079 -0.1843398325 0.0534754136 0.0041719542 0.0906759899 0.6733550631 -0.3299154283 0.1504768452 0.0004731922 0.0103014067 0.1024873143 -0.1556830894 0.0028654757 0.0000305063 0.0006714151 -0.0035587210 0.7014772263 -0.1761271799 -0.0000144386 -0.0003098012 0.0011355256 0.5431161779 -1.0022276149 0.0000044320 0.0000957102 -0.0002690575 -0.0092374173 1.5924255326 15 4 22159.24963300 4389.70029790 1200.00800820 410.76322292 163.30003729 71.21761945 32.64796957 15.23508296 7.05584077 3.17143921 1.35176005 0.53137992 0.18579959 0.05505359 0.01631273 0.0001842825 -0.0000714236 0.0000126074 -0.0000268606 0.0011925692 -0.0004623260 0.0000817736 -0.0001776031 0.0069370555 -0.0027099064 0.0004784387 -0.0010128145 0.0301831818 -0.0119052975 0.0021107480 -0.0045992641 0.0998084473 -0.0406091539 0.0071980836 -0.0151345051 0.2389864497 -0.1011722480 0.0181020189 -0.0397582682 0.3884077037 -0.1758416058 0.0315454359 -0.0655501471 0.3293921345 -0.1278616861 0.0228677339 -0.0622718595 0.0910049359 0.2051520985 -0.0457606305 0.1266637110 0.0080166787 0.5240421897 -0.1143482767 0.2790511316 0.0030892979 0.3816900429 -0.1025096811 0.1738603504 0.0003268255 0.0567207319 0.0973374956 -0.7425394755 0.0000271292 0.0000004818 0.5263861833 -0.4580846422 -0.0000080309 0.0003641959 0.5225485286 0.8331638205 0.0000025245 -0.0000982396 0.0302591023 0.0783610528 9 3 248.99387695 73.63646775 27.60203370 11.56572279 5.03191619 2.17336140 0.89639586 0.33392509 0.12439366 0.0020726844 -0.0027937118 0.0022155250 0.0166990222 -0.0228329868 0.0184502289 0.0701364157 -0.0976084171 0.0790331419 0.1904507965 -0.2795637403 0.2458543467 0.3258069396 -0.3812156954 0.2225940812 0.3656254304 0.0015518198 -0.3899094738 0.2788298091 0.5308874708 -0.4327498073 0.0940561176 0.3696942594 0.4812661686 0.0017597831 0.0544115007 0.5846207761 6 1 11.15154606 5.81955449 2.88504568 1.31316456 0.56181661 0.20750195 0.1267598866 0.1780278672 0.4163201121 0.3682706764 0.1877543537 0.0214492601 /Ge.ano-r.Zobel.20s15p9d6f.5s4p3d1f J. P. Zobel, P.-O. Widmark, V. 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