ergo 3.4.0-2 / usr / share / ergo / basis / ano-4

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$Basis = ano-4
************************************************************************
/H.ano.Pierloot.7s3p.4s3p.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
* H Hydrogen atom.                                                     *
* Basic primitive: Duijneveldt 6s                                      *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            3p 2 optimized for H2 with the third added as an          *
*               eventempered continuation.                             *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              H     0.000  SCF   0.490                                *
*              H2    0.000  SDCI  0.490                                *
*              H-    0.000  SDCI  0.020                                *
*                                                                      *
************************************************************************
a 1
* s-functions, max 6 functions can be used.
    7    6
82.636374 12.409558 2.8238540 .79767000 .25805300 .08989100 .03146200
.00256413 -.0046008 .00757961 -.0363105 .01990903 -.0510853
.01921261 -.0324447 .04861215 -.3426720 .06829145 -1.454494
.09505118 -.1710737 .29093806 -.5144789 1.3871029 2.1054842
.30186782 -.5048672 .71017940 2.3283491 -1.500327 -2.126101
.48744592 -.0948920 -.7428489 -3.743064 -.1334753 1.9268476
.23547943 .37085551 -.9567069 3.3877730 1.2796203 -1.360156
.01577776 .65565134 1.2928373 -1.446844 -.7878459 .52164181
* p-functions, max 3 functions can be used.
    3    3
1.6625000 .41560000 .10390000
.30127706 -.5439972 1.0998718
.68005742 -.2227281 -1.344476
.19856265 .95840151 .79907973
************************************************************************
/He.ano.Pierloot.7s3p.4s3p.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
* He Helium atom.                                                      *
* Basic primitive: Duijneveldt 6s                                      *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            3p 2 optimized for correlation energy, with 1 added as an *
*               eventempered continuation.                             *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              He    0.000  SDCI  1.000                                *
*                                                                      *
************************************************************************
a 2
* s-functions, max 6 functions can be used.
    7    6
233.09250 35.022805 7.9557020 2.2027800 .66434900 .20824500 .07288600
.00260941 -.0039110 .00751951 -.0054170 .03125343 -.0063455
.01966690 -.0303249 .03413599 -.1523083 -1.426082 .62069362
.09225256 -.1971368 .73279322 -1.353979 1.6956746 -1.053717
.27352994 -.7675756 .26520947 2.5779532 -1.077115 1.4475639
.47654422 .07121518 -1.774089 -2.337934 .17350022 -2.129268
.30155862 .85518678 1.3616934 1.0484932 .70730893 2.8952449
.00826996 .00011896 -.0568172 .01802187 -.7407261 -2.046450
* p-functions, max 3 functions can be used.
    3    3
3.0566000 .76220000 .19060000
.31299579 -1.079406 .57446409
.74142300 .66739271 -1.149113
.08473191 .29174588 1.2264082
************************************************************************
/Li.ano.Pierloot.10s4p3d.6s4p3d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
* Li Lithium atom.                                                     *
* Basic primitive: Duijneveldt 9s                                      *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            4p 3 optimized for Li2 with 1 added as an                 *
*               eventempered continuation.                             *
*            3p 2 optimized for Li2 with 1 added as an                 *
*               eventempered continuation.                             *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              Li    0.000  SCF   0.500                                *
*              Li+   0.000  SCF   0.200                                *
*              Li2   0.000  SDCI  0.200                                *
*              Li-2P 0.000  SDCI  0.100                                *
*                                                                      *
************************************************************************
a 3
* s-functions, max n functions can be used.
   10    6
1359.4466 204.02647 46.549541 13.232594 4.2861480 1.4955420 .54223800 .07396800
.02809500 .00983300
.00084332 -.0001252 .00011373 -.0017440 .00054417 -.0031477
.00648439 -.0009674 .00107116 -.0131945 .00456395 -.0144194
.03245620 -.0048770 .00399916 -.0662310 .01962287 -.1424608
.11738922 -.0182869 .02301931 -.2217921 .08329969 -.1142626
.29422268 -.0491821 .03432242 -.5063439 .13214634 -1.500016
.45040801 -.0977188 .17197618 -.2517575 .28618802 3.2797643
.25470902 -.1385663 .10414360 1.4059250 -.5135377 -2.385700
.01003624 .58427106 -1.902384 -1.633110 -.9532295 1.2383938
-.0029612 .50352994 1.7730327 1.9241970 2.4695862 -1.042423
.00016396 .01224613 .04879476 -1.019874 -1.920546 .38430970
* p-functions, max n functions can be used.
    4    4
.38920000 .12170000 .03800000 .01190000
.09431630 -.1214478 1.1376011 -.9285055
.33326561 -.9566738 -.6676586 1.6588872
.62301658 .60468280 -.4269621 -1.814862
.12579161 .45796062 .67539099 1.2257335
* d-functions, max n functions can be used.
    3    3
.34220000 .09170000 .02460000
.19222732 -.1882651 1.1416620
.86623968 -.4316614 -.9302053
.05202164 1.0957448 .41641230
************************************************************************
/Be.ano.Pierloot.10s4p3d.6s4p3d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
* Be Beryllium atom.                                                   *
* Basic primitive: Duijneveldt 9s                                      *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            4p 3 optimized for correlation energy with 1 added as an  *
*               eventempered continuation.                             *
*            3d 2 optimized for correlation energy with 1 added as an  *
*               eventempered continuation.                             *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              Be    0.000  SDCI  0.500                                *
*              Be+   0.000  SCF   0.250                                *
*              Be-3P 0.000  SDCI  0.250                                *
*                                                                      *
************************************************************************
a 4
* s-functions, max n functions can be used.
   10    6
2732.3281 410.31981 93.672648 26.587957 8.6295600 3.0562640 1.1324240 .18173200
.05917000 .02071000
.00074493 -.0001427 .00015695 -.0001924 .00031124 -.0015720
.00572454 -.0011140 .00143307 -.0039778 .00436640 -.0060853
.02888438 -.0055613 .00562553 -.0015547 .00806211 -.0868722
.10711729 -.0218661 .03083988 -.1094019 .11885124 -.2255310
.28008888 -.0591129 .05111532 .09593658 .04010088 -1.689248
.44599943 -.1277397 .22985975 -1.147861 1.0707772 3.1302542
.28019932 -.1392613 .03609057 1.4866438 -1.879678 -1.852557
.01371755 .61480583 -1.639060 -.0525827 2.0015611 .72511480
-.0059191 .51190760 1.5342452 -1.350883 -2.549105 -.5918967
.00199796 -.0117939 .05893078 1.4017579 1.5882729 .27379324
* p-functions, max n functions can be used.
    4    4
1.1677000 .36500000 .11410000 .03570000
.08652488 -.0268988 .59021034 -1.350149
.32628265 -.8241012 .40781985 1.8100238
.62511893 .22668606 -1.328299 -1.423157
.13750967 .75535954 1.0185868 .74512678
* d-functions, max n functions can be used.
    3    3
.54680000 .14650000 .03930000
.27827904 -.9918512 .56070455
.75227605 .45942600 -1.012287
.15882957 .38362412 1.0974151
************************************************************************
/B.ano.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 5
* s-functions, max 7 functions can be used.
   10    7
3733.3327 561.19773 128.74655 37.055525 12.328842 4.5244350 1.7512670 .33110600
.10371400 .03630000
.00089506 -.0001843 .00017375 -.0001905 .00041293 -.0018783 .00116412
.00685380 -.0014446 .00145545 -.0022532 .00635331 -.0063398 .03455897
.03405961 -.0070458 .00642290 -.0054437 .00871287 -.1081313 .08663511
.12149824 -.0272609 .02889840 -.0535594 .17192309 -.2422706 1.9799862
.30003476 -.0688604 .05907191 -.0182450 -.0360394 -1.722278 -3.771476
.43780423 -.1492362 .18733501 -.4660871 1.5479194 3.4481013 3.3066999
.24612184 -.1162892 .05610638 .44113019 -2.597670 -2.188265 -1.551088
.01182080 .59639270 -1.266190 1.1919254 2.0916662 .81648507 .48391501
-.0041555 .50850220 .71439434 -2.613045 -1.808131 -.5271625 -.2951708
.00140186 .02792957 .63133800 1.8532640 .82628795 .19778262 .10623095
* p-functions, max 6 functions can be used.
    6    6
12.363854 2.6559950 .76067100 .24197800 .07787700 .02725700
.01180214 -.0101247 .01264464 -.0414113 .10101989 -1.211295
.06978208 -.0411527 -.0157798 -.5027538 1.2162674 1.0493365
.25711950 -.2976093 .64934680 -.6687000 -1.733241 -.7049688
.47791994 -.4297342 .05318564 1.6112094 1.5327407 .41881797
.31658558 .26234690 -1.375829 -1.444723 -1.080771 -.2220987
.15418619 .76686529 1.1527377 .68208364 .47514295 .08341775
* d-functions, max 3 functions can be used.
    3    3
.84960000 .22760000 .06100000
.26308016 -.5392926 1.0076300
.72852411 -.2061201 -1.107773
.21600414 .91037494 .70734273
************************************************************************
/C.ano.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 6
* s-functions, max 7 functions can be used.
   10    7
5240.6353 782.20479 178.35083 50.815942 16.823562 6.1757760 2.4180490 .51190000
.15659000 .05480600
.00093706 -.0002014 .00018948 -.0002213 .00042114 -.0018513 .00065406
.00722866 -.0015913 .00159917 -.0025615 .00571726 -.0038004 .04028923
.03634370 -.0078579 .00715871 -.0066762 .01103501 -.1109207 .01247219
.13062888 -.0307856 .03255102 -.0614874 .15082677 -.1054023 2.1083996
.31889851 -.0777605 .06671215 -.0262024 .00978757 -1.974805 -3.791511
.43907941 -.1654798 .21071467 -.5522109 1.4748251 3.8015560 3.2681208
.21447737 -.0935316 .01606341 .61152276 -2.700521 -2.501563 -1.577265
.00952912 .59106791 -1.206081 1.0360958 2.3342433 .97136636 .51261653
-.0024223 .51017985 .62359190 -2.478048 -1.998888 -.5941226 -.2946905
.00085927 .03602095 .67555378 1.7841457 .93142687 .22395114 .10635215
* p-functions, max 6 functions can be used.
    6    6
18.841800 4.1592400 1.2067100 .38554000 .12194000 .04267900
.01363248 -.0127012 .02069097 -.0417198 .08993877 -1.225606
.08381053 -.0672664 .10061256 -.5377721 1.2126951 1.0767721
.28579195 -.3404231 .68864029 -.4613392 -1.793208 -.7175743
.48641620 -.3747775 -.2805127 1.5262266 1.5789020 .41461270
.31476417 .42284056 -1.048837 -1.617847 -1.093721 -.2133883
.09093437 .64283912 1.0947312 .86969045 .49043497 .08037852
* d-functions, max 3 functions can be used.
    3    3
1.2838000 .34400000 .09220000
.32087885 -.7178531 .87024938
.72331373 .09111849 -1.126613
.15721381 .75422850 .88445526
************************************************************************
/N.ano.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 7
* s-functions, max 7 functions can be used.
   10    7
8104.0716 1216.0215 277.23428 76.904023 25.874419 9.3467670 3.5797940 .73961000
.22261700 .07791600
.00081008 -.0001793 .00017387 -.0001964 .00036916 -.0017116 .00025765
.00607657 -.0013798 .00144815 -.0023869 .00502340 -.0017618 .04008086
.03209526 -.0071332 .00667279 -.0057778 .00987330 -.1041283 -.0231628
.11750256 -.0284961 .03158098 -.0617602 .13897284 -.0318897 2.1941015
.29374741 -.0728933 .06343753 -.0153528 .01019490 -2.073780 -3.710750
.45125423 -.1684632 .22203197 -.5939252 1.4629067 3.7261526 3.0155160
.24259813 -.1048813 .03023657 .66203748 -2.618477 -2.376663 -1.412923
.01346262 .58177231 -1.252482 .93489260 2.2563360 .91307821 .45774248
-.0038118 .52102389 .70444158 -2.387829 -1.990162 -.5648258 -.2656620
.00138764 .03664056 .61000653 1.7773254 .96469863 .21744800 .09742861
* p-functions, max 6 functions can be used.
    6    6
26.868987 5.9912270 1.7508420 .56051100 .17594800 .06158200
.01442171 -.0114782 .02162618 -.0406188 .08572667 -1.231436
.09084742 -.0651213 .12643314 -.4773791 1.2448487 1.0880797
.29779552 -.2896590 .63908773 -.5649113 -1.801346 -.7210344
.48328081 -.3157872 -.1262036 1.6204933 1.5085511 .40811020
.30400864 .21998610 -1.195343 -1.620373 -.9730320 -.2041380
.08993805 .80897400 1.0594220 .81259577 .40744371 .07535125
* d-functions, max 3 functions can be used.
    3    3
1.8862000 .50540000 .13540000
.32849784 -.6891754 .89030990
.71929892 .06238867 -1.130867
.15460768 .78145296 .86071030
************************************************************************
/O.ano.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 8
* s-functions, max 7 functions can be used.
   10    7
10662.285 1599.7097 364.72526 103.65179 33.905805 12.287469 4.7568050 1.0042710
.30068600 .10524000
.00079948 -.0001813 .00018443 -.0001907 .00036853 -.0016765 .00005479
.00615339 -.0014323 .00161025 -.0024870 .00490095 -.0010618 .04279731
.03115440 -.0070923 .00685698 -.0051076 .00991395 -.1026646 -.0507976
.11562007 -.0287298 .03444213 -.0629044 .12875344 .01175872 2.1803558
.30148406 -.0771976 .06845079 -.0110554 .03927069 -2.165167 -3.631053
.44516541 -.1722695 .25486215 -.6404523 1.4310887 3.8662474 2.9702171
.24269972 -.1017617 -.0022749 .76159632 -2.626645 -2.495006 -1.403357
.01400809 .58019236 -1.309317 .77557971 2.3062819 .96639458 .45447793
-.0036471 .52501772 .84421791 -2.269563 -2.062387 -.5976920 -.2609879
.00135794 .03453632 .50287000 1.7764361 1.0230710 .23350491 .09613616
* p-functions, max 6 functions can be used.
    6    6
34.856463 7.8431310 2.3082690 .72316400 .21488200 .07520900
.01570996 -.0142470 .02368790 -.0376268 .09085374 -1.235344
.09863258 -.0824266 .14966899 -.4641332 1.2402534 1.1015075
.31133806 -.3507925 .66715139 -.4690396 -1.753665 -.7189945
.48393539 -.3086369 -.3868441 1.4975194 1.4085498 .38970182
.30434457 .43158804 -.9267711 -1.653960 -.9192597 -.1923494
.07410473 .62126901 1.0538974 .93962953 .41489193 .07430941
* d-functions, max 3 functions can be used.
    3    3
2.6950000 .72210000 .19350000
.31690979 -.7253743 .86540926
.72182059 .09198569 -1.127354
.16489448 .74781734 .88837150
************************************************************************
/F.ano.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 9
* s-functions, max 7 functions can be used.
   10    7
13521.523 2028.6916 462.37392 131.37366 42.974531 15.571440 6.0322320 1.3072150
.38886900 .13610400
.00080075 -.0001850 .00019447 -.0001902 .00037031 -.0016706 .00007014
.00616450 -.0014612 .00172714 -.0025713 .00470412 -.0002042 -.0442488
.03124160 -.0072487 .00717187 -.0048791 .01051067 -.1035398 .06719790
.11610291 -.0294041 .03738496 -.0657941 .12212404 .05599021 -2.206790
.30352222 -.0795719 .07084437 -.0043335 .05682186 -2.240184 3.6144984
.44616899 -.1770468 .28523100 -.6870633 1.3878720 3.9534864 -2.924289
.23867582 -.0978438 -.0389917 .86018088 -2.622114 -2.573956 1.3843357
.01392675 .58060437 -1.330440 .63037963 2.3627476 1.0139375 -.4526205
-.0033045 .52689316 .92497937 -2.155047 -2.137460 -.6254406 .25639621
.00126572 .03283982 .43437871 1.7582097 1.0805653 .24790940 -.0947845
* p-functions, max 6 functions can be used.
    6    6
44.147303 9.9934260 2.9532460 .91859700 .26682400 .09338800
.01656685 -.0167752 .02494906 -.0361547 .09545632 -1.238050
.10422264 -.1009620 .16978293 -.4963549 1.2198221 1.1135741
.31803761 -.4014188 .68191384 -.3346961 -1.748487 -.7275897
.48073503 -.2616414 -.5567430 1.3749557 1.4191583 .39142655
.30922389 .51835561 -.7214965 -1.660699 -.9597566 -.1945025
.06136998 .51834038 1.0153135 1.0116944 .45768655 .07739612
* d-functions, max 3 functions can be used.
    3    3
3.7442000 1.0032000 .26880000
.29855241 -.7294384 .86849502
.72517360 .07062298 -1.126675
.18152808 .74700952 .88574770
************************************************************************
/Ne.ano.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 10
* s-functions, max n functions can be used.
   10    7
16501.215 2477.7618 566.10960 161.62854 53.293240 19.488234 7.6017600 1.6327720
.48131500 .16846000
.00081499 -.0001900 .00021772 -.0002540 .00043955 -.0016494 .00013401
.00626094 -.0014996 .00201364 -.0039743 .00328787 -.0006142 -.0454712
.03159205 -.0073945 .00776521 -.0051110 .01814446 -.1011335 .07529190
.11639840 -.0298543 .04409897 -.1053844 .07153392 .04255644 -2.241970
.30184538 -.0798427 .07073502 .03643038 .25261153 -2.226887 3.7112982
.44222228 -.1781160 .34965786 -1.170913 .77909459 4.0323895 -3.039900
.24240238 -.0958131 -.1095937 1.7465804 -1.968139 -2.706065 1.4488384
.01519335 .58014835 -1.433297 -.3948737 2.2360432 1.1596528 -.4798726
-.0037628 .53076702 1.2365602 -1.151401 -2.593238 -.8294957 .28620830
.00144066 .02758179 .17477751 1.3157005 1.6034321 .38890021 -.1139980
* p-functions, max n functions can be used.
    6    6
55.030482 12.501192 3.6978600 1.1477410 .33105700 .11587000
.01707052 -.0247370 .03437777 -.0797130 .11661608 -1.235601
.10800355 -.1539626 .41209016 -1.121991 .51196489 1.1429438
.32273452 -.6151746 .59597007 1.3664520 -1.045545 -.7825507
.47983876 -.0452503 -1.368663 -.6549813 1.3646101 .46357291
.32153532 .78578685 .74278265 -.2824643 -1.766400 -.2899755
.03090434 .07446709 .18059933 .63604465 1.4381264 .15599580
* d-functions, max n functions can be used.
    3    3
5.0585000 1.3554000 .36320000
.28150376 -.7704634 .83826596
.73510065 .10906382 -1.117207
.18465214 .70537009 .91867910
************************************************************************
/Na.ano.Pierloot.13s8p3d.6s5p3d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 11
* s-functions, max 6 functions can be used.
   13    6
36166.417 5372.5837 1213.2144 339.62319 109.55258 38.777254 14.575901 5.2699305
1.8277692 .61994754 .05723990 .02404774 .00841671
.00038680 -.0001120 .00001512 -.0000164 .00001120 -.0000028
.00302741 -.0008742 .00011657 -.0001299 .00011956 -.0000116
.01582947 -.0046310 .00062921 -.0006763 .00048106 -.0000473
.06345968 -.0187907 .00250114 -.0028297 .00412203 .00080993
.19254139 -.0612281 .00849776 -.0090294 .01598153 .00813143
.39522205 -.1444212 .01958498 -.0231630 .10314012 .06050246
.38407124 -.2155732 .03346671 -.0339564 .21753376 .17397871
.08410406 .03068867 -.0106399 .00159024 .00575686 -.0475805
.02239996 .59787020 -.0973802 .14640304 -1.571816 -1.045636
.02217786 .48336268 -.2146369 .20758646 1.5928480 1.2553495
.00040657 .02231885 .63078161 -2.220134 .00107849 -1.907600
-.0002148 -.0107088 .44916318 2.2585781 -1.043710 3.0976616
.00005604 .00340329 .00679003 -.1430466 1.0575200 -1.967558
* p-functions, max 5 functions can be used.
    8    5
147.70791 34.388475 10.580524 3.6659431 1.2840563 .43073526 .15075734 .05276510
.00519565 -.0006938 .00094630 -.0056707 .00729556
.03801759 -.0048726 .00913559 -.0313717 .11233121
.15389418 -.0211924 .02763093 -.1930337 .19978138
.35252423 -.0450116 .10452841 -.1719153 1.1285074
.45737381 -.0729479 .03340545 -.7158266 -2.134468
.23864098 -.0162184 .52943242 2.0210261 1.6324980
.00333081 -.0109459 -1.888111 -1.436322 -.8649152
.00463786 1.0120537 1.1890370 .48096174 .28693767
* d-functions, max 3 functions can be used.
    3    3
.13390000 .04458000 .01560000
.66634440 -.8995588 .71259230
.42875425 .78426436 -1.424428
.03342085 .40062327 1.3017488
************************************************************************
/Mg.ano.Pierloot.13s8p3d.7s5p3d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 12
* s-functions, max 7 functions can be used.
   13    7
43866.543 6605.3717 1513.2577 432.31714 142.14930 51.398328 19.919552 8.0247405
2.5081725 .87153140 .10818841 .04013043 .01404565
.00037817 -.0001059 .00001958 -.0000211 .00003349 -.0000673 .00024812
.00290795 -.0008090 .00014884 -.0001674 .00033328 -.0006830 .00093480
.01484120 -.0042046 .00078098 -.0008228 .00114431 -.0022577 .01241179
.05819606 -.0165731 .00305339 -.0035208 .00776135 -.0160632 .00882087
.17535334 -.0541090 .01022444 -.0104385 .01136288 -.0219255 .22189319
.36839318 -.1275657 .02411584 -.0294071 .07825364 -.1643636 -.1037591
.39588825 -.2108810 .04351933 -.0392653 -.0068627 .02612400 1.7913685
.12290938 -.0260341 .00272499 -.0230190 .20904234 -.4401181 -3.728151
.01782202 .57426207 -.1406158 .22197981 -.9728471 2.1698180 3.0004310
.01372780 .53404886 -.2716562 .22222783 .79429938 -2.233558 -1.322566
.00055577 .02452562 .69704775 -1.973398 .75107760 1.7261609 .43924905
-.0002974 -.0135501 .43175291 1.9735344 -2.225891 -2.052731 -.3441319
.00009162 .00423709 -.0097741 -.0968846 1.8635422 1.1350052 .12272101
* p-functions, max 5 functions can be used.
    8    5
194.48547 45.596171 14.185515 4.9767174 1.7775871 .61368684 .21479039 .07517660
.00473054 -.0008872 .00116791 -.0040536 .00508525
.03494543 -.0065387 .00969343 -.0149543 .09646041
.14463473 -.0277679 .03517827 -.1399382 .18225009
.34634503 -.0668841 .10686378 -.0966483 1.2461677
.46690507 -.0969932 .09829434 -.9204540 -2.186135
.23532994 -.0582022 .33001356 2.2340780 1.5272145
.00299903 .27797803 -1.724740 -1.685368 -.7554978
.00403308 .80544690 1.2970564 .60659130 .24938219
* d-functions, max 3 functions can be used.
    3    3
.22510000 .07458000 .02610000
.51827487 -1.101534 .51829744
.55657251 .96054818 -1.257080
.07760828 .14176302 1.3521291
************************************************************************
/Al.ano.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 13
* s-functions, max 7 functions can be used.
   13    7
54866.489 8211.7665 1866.1761 531.12934 175.11797 64.005500 25.292507 10.534910
3.2067110 1.1525551 .17667755 .06523747 .02283311
.00034983 -.0001030 .00002164 -.0000211 .00002395 -.0000745 .00025688
.00272066 -.0007963 .00016682 -.0001665 .00021937 -.0007437 .00107464
.01403481 -.0041818 .00088113 -.0008480 .00088935 -.0026152 .01287367
.05524271 -.0165274 .00347487 -.0035195 .00499382 -.0176104 .01323504
.16626342 -.0537890 .01152916 -.0109035 .00992475 -.0264135 .23745774
.35090709 -.1260008 .02737742 -.0287465 .04749300 -.1792139 -.0724469
.39425023 -.2126020 .04976065 -.0443275 .01678490 .00768929 1.8142061
.14802864 -.0563875 .01224421 -.0230160 .10832719 -.4635566 -3.742107
.02471625 .55341872 -.1650013 .20969728 -.5360716 2.4512520 3.0643064
.01719912 .56018666 -.3173685 .28008991 .20632823 -2.609509 -1.489154
.00114683 .03041638 .66326954 -1.688984 1.5827000 1.8187848 .54959723
-.0006084 -.0149745 .47407257 1.2347558 -3.037468 -1.687664 -.4046049
.00018615 .00450279 .01395324 .42301134 2.0336861 .72198693 .13938180
* p-functions, max 7 functions can be used.
   10    7
259.28362 61.076870 19.303237 7.0108820 2.6738653 1.0365955 .31681873 .11425682
.04139700 .01448895
.00405644 -.0007080 .00073168 -.0008107 .00163788 -.0043462 .00389240
.03046789 -.0053293 .00566299 -.0064595 .00738838 -.0221390 .10531716
.12691039 -.0227062 .02321295 -.0249963 .05549881 -.1556818 .17396945
.31256744 -.0568201 .06168897 -.0724763 .06026491 -.2083480 1.3624110
.44041236 -.0845292 .08416268 -.0903666 .35946498 -.8266935 -2.596800
.28525600 -.0557708 .09324222 -.1846363 -.2902828 2.1063377 1.9371260
.03385005 .22696919 -.4671375 1.0579399 -1.199796 -2.002711 -1.070250
-.0055617 .51595897 -.4622405 -.4333578 2.3144911 1.6141732 .69700454
.00261063 .33064982 .44837801 -1.007372 -2.152970 -1.022140 -.3741821
-.0007713 .13298547 .62654713 1.0907116 1.0231426 .40594301 .13136003
* d-functions, max 4 functions can be used.
    4    4
.49400000 .19900000 .08040000 .02814000
.16530459 -.3623303 .96606714 -1.222402
.52845425 -.5988966 -.5704972 2.1235103
.40614667 .67919078 -.5858528 -1.929771
.07584475 .45834805 .90360256 1.0117361
************************************************************************
/Si.ano.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 14
* s-functions, max 7 functions can be used.
   13    7
69379.230 10354.940 2333.8796 657.14295 214.30113 77.629168 30.630807 12.801295
3.9268663 1.4523433 .25623427 .09427922 .03299773
.00031430 -.0000958 .00002198 -.0000220 .00002595 -.0000705 .00023117
.00246112 -.0007460 .00017102 -.0001750 .00024056 -.0006950 .00096123
.01289918 -.0039760 .00091383 -.0009024 .00098474 -.0025771 .01178162
.05173226 -.0160129 .00368910 -.0038273 .00565307 -.0167920 .01207298
.15944618 -.0531575 .01241648 -.0120685 .01148488 -.0283660 .21964214
.34389338 -.1270819 .03041211 -.0326738 .05608110 -.1755974 -.0553719
.39716351 -.2166805 .05520493 -.0508938 .02085691 -.0213340 1.8623289
.15995279 -.0720003 .01903059 -.0310767 .13559713 -.4386976 -3.852160
.02802041 .54355126 -.1862670 .24717573 -.6701414 2.5402486 3.2730670
.01935520 .57129832 -.3496595 .31359808 .30502246 -2.835890 -1.700379
.00149858 .03454841 .64706351 -1.713357 1.5587807 2.1080056 .67128771
-.0007225 -.0148857 .50607265 1.1735336 -2.999481 -1.918922 -.4761146
.00021781 .00439226 .01984117 .46073480 1.9997035 .82335503 .16365420
* p-functions, max 7 functions can be used.
* d-functions, max 4 functions can be used.
   10    7
335.48319 78.900366 24.988150 9.2197114 3.6211402 1.4513101 .50497692 .18631667
.06543200 .02290120
.00355167 -.0007543 .00072254 -.0008112 .00175689 -.0044044 .00364538
.02735944 -.0058494 .00584370 -.0071608 .01035762 -.0243388 .10429729
.11651050 -.0254008 .02408183 -.0260288 .06235657 -.1711822 .17205410
.29307654 -.0656330 .06746591 -.0873168 .10762712 -.2424921 1.4353533
.43271640 -.1008167 .09059617 -.0841650 .33583621 -.8456769 -2.895350
.30644487 -.0742811 .11350243 -.2531847 -.2187020 2.3668734 2.4087991
.04532671 .20739590 -.4143176 1.0891330 -1.340376 -2.340475 -1.400969
-.0040836 .55348706 -.5639184 -.3963216 2.3109325 1.7131101 .79647168
.00205424 .35323342 .60638687 -1.030178 -2.051108 -1.016490 -.3870820
-.0005921 .07033424 .53718746 1.1381792 1.0164237 .41366772 .13490364
* d-functions, max 4 functions can be used.
    4    4
.76000000 .30200000 .12000000 .04200000
.16447581 -.3507987 .95056374 -1.202445
.55137970 -.6641223 -.6302556 2.0088561
.40011918 .84427608 -.4915171 -1.843133
.04774986 .32424268 .91560359 1.0461602
************************************************************************
/P.ano.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 15
* s-functions, max 7 functions can be used.
   13    7
77492.429 11605.789 2645.9649 754.97623 248.75468 91.156530 36.225668 15.211316
4.7138230 1.7826948 .34252100 .12463132 .04362096
.00032518 -.0001023 .00002489 -.0000246 .00003013 -.0000743 .00024227
.00252532 -.0007898 .00019245 -.0001945 .00027887 -.0007307 .00096492
.01296084 -.0041200 .00100419 -.0009832 .00110266 -.0026132 .01216502
.05124822 -.0163687 .00401392 -.0041089 .00636913 -.0171621 .01039769
.15611573 -.0536356 .01328425 -.0128280 .01237312 -.0274941 .22168613
.33596028 -.1277233 .03267895 -.0345356 .06267065 -.1779779 -.0737467
.39672816 -.2198337 .05937822 -.0551350 .02231730 -.0211867 1.9380261
.16824218 -.0837116 .02486610 -.0353913 .15760884 -.4571315 -3.975820
.03114760 .53559582 -.2034444 .26369142 -.7706361 2.6438937 3.4499121
.02146835 .58008043 -.3737178 .34291814 .38411716 -3.022896 -1.858683
.00184428 .03786600 .65126598 -1.721175 1.5157394 2.2907699 .74626470
-.0008268 -.0146982 .51781849 1.1328680 -2.946269 -2.049115 -.5103169
.00024929 .00433410 .02005408 .48244842 1.9707805 .88752697 .17514313
* p-functions, max 7 functions can be used.
   10    7
384.84336 90.552096 28.805685 10.688374 4.2520977 1.7405277 .59789296 .22921800
.08382797 .02933979
.00371286 -.0008854 .00071307 -.0010713 .00198496 -.0043933 .00371562
.02858920 -.0068121 .00565480 -.0084991 .01138897 -.0251273 .10482803
.12115044 -.0298163 .02387599 -.0358043 .07168491 -.1709425 .16296429
.30149442 -.0753402 .06413837 -.0979857 .11472318 -.2524474 1.4711717
.43396899 -.1172589 .08966118 -.1364186 .37420890 -.7897604 -3.030733
.29126642 -.0649573 .08179338 -.1441674 -.3925024 2.3536908 2.5542912
.03944607 .27314187 -.4026046 1.1107994 -1.179538 -2.547790 -1.525578
-.0046547 .54559533 -.4618146 -.4758868 2.3707210 2.0327876 .92038011
.00217623 .30107521 .49821888 -1.006152 -2.171437 -1.199286 -.4438801
-.0005991 .06159326 .64365420 1.0713580 1.0431752 .45512730 .14636610
* d-functions, max 4 functions can be used.
    4    4
1.0360000 .41300000 .16500000 .05775000
.16833905 -.3143713 .80472039 -1.321525
.54500060 -.6835606 -.3366609 2.0935374
.40299879 .81187447 -.7658060 -1.777374
.04784419 .37281291 1.0271865 .92121965
************************************************************************
/S.ano.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 16
* s-functions, max 7 functions can be used.
   13    7
93413.396 13961.657 3169.9098 902.45634 297.15842 108.70201 43.155299 18.107948
5.5704717 2.1427164 .43399430 .15701692 .05495592
.00030244 -.0000986 .00002485 -.0000249 .00003037 -.0000706 .00023203
.00235969 -.0007648 .00019331 -.0001975 .00028736 -.0006934 .00088327
.01219093 -.0040154 .00101312 -.0010030 .00111246 -.0025262 .01187477
.04837344 -.0159890 .00407193 -.0042136 .00667014 -.0163819 .00848638
.14872569 -.0527652 .01352557 -.0132119 .01238555 -.0272124 .21838143
.32645608 -.1273788 .03398686 -.0362624 .06760550 -.1720752 -.0850586
.39895188 -.2238093 .06265824 -.0592147 .02161390 -.0371457 1.9913015
.18139131 -.0988761 .03168168 -.0425622 .18262318 -.4482095 -4.012883
.03603423 .52952360 -.2185153 .28512116 -.8833737 2.6908438 3.5228876
.02477362 .58699610 -.3910601 .37187776 .52118226 -3.140288 -1.962491
.00233284 .04070765 .66374452 -1.813683 1.3618056 2.4267126 .80080578
-.0009991 -.0146844 .51707047 1.2581469 -2.820149 -2.179334 -.5375850
.00030221 .00434848 .02044077 .40157337 1.9528773 .97112043 .18560244
* p-functions, max 7 functions can be used.
   10    7
495.03999 117.22119 37.506558 13.909968 5.5045015 2.2432812 .77617992 .29187047
.10286700 .03600345
.00311875 -.0007999 .00069018 -.0010045 .00180362 -.0039783 .00332702
.02421577 -.0061979 .00560461 -.0081484 .00998874 -.0214361 .09509235
.10595245 -.0280253 .02403047 -.0351400 .06827645 -.1610358 .17109388
.28272734 -.0760997 .07093891 -.1053605 .11439006 -.2554334 1.4732023
.43869699 -.1276894 .10278752 -.1499854 .39829396 -.8167073 -2.983702
.31473136 -.0759688 .10454338 -.1533395 -.4593885 2.3510923 2.5002028
.04594114 .28506713 -.4699045 1.2204445 -.9684237 -2.494083 -1.461745
-.0049572 .55093959 -.4719365 -.8029015 2.1126499 1.9521749 .84544072
.00248469 .30126947 .68464358 -.6688955 -2.115505 -1.190642 -.4085312
-.0006772 .04803268 .47330406 1.0006154 1.1540473 .49390514 .14271222
* d-functions, max 4 functions can be used.
    4    4
1.2500000 .50400000 .20300000 .07105000
.19546573 -.4016739 .99750229 -1.179982
.54795286 -.6255475 -.8071848 2.0259542
.38037365 .91828358 -.3289264 -1.889350
.03863999 .24763900 .87967426 1.1031670
************************************************************************
/Cl.ano.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 17
* s-functions, max 7 functions can be used.
   13    7
105818.82 15872.006 3619.6548 1030.8038 339.90788 124.53810 49.513502 20.805604
6.4648238 2.5254537 .53783215 .19349716 .06772401
.00030088 -.0001008 .00002615 -.0000265 .00003166 -.0000715 .00023307
.00232977 -.0007766 .00020215 -.0002096 .00030139 -.0006936 .00084352
.01200395 -.0040646 .00105460 -.0010568 .00113763 -.0025371 .01190370
.04767388 -.0162047 .00425383 -.0044710 .00701933 -.0163211 .00718535
.14650572 -.0533804 .01407419 -.0138986 .01246032 -.0275269 .21941115
.32284149 -.1293144 .03569705 -.0387558 .07200651 -.1716223 -.0991755
.39830268 -.2277685 .06574573 -.0627185 .01940905 -.0454504 2.0416878
.18514198 -.1055212 .03577769 -.0485623 .20239561 -.4457992 -4.109673
.03908065 .52732620 -.2323657 .30897703 -.9690764 2.7519939 3.6805020
.02732878 .58926880 -.4041007 .39485922 .62510060 -3.270030 -2.102246
.00265779 .04283083 .66719688 -1.884600 1.2486084 2.5507227 .86850535
-.0010655 -.0142461 .52351442 1.3417293 -2.727998 -2.272800 -.5714372
.00032210 .00423885 .02141530 .34453623 1.9386491 1.0271748 .19801553
* p-functions, max 7 functions can be used.
   10    7
589.77639 139.84860 44.794920 16.612069 6.5994980 2.7141323 .95279614 .35804401
.12498600 .04374510
.00293393 -.0007964 .00074632 -.0010334 .00194582 -.0037388 .00323560
.02293778 -.0061995 .00608487 -.0082977 .00995304 -.0201912 .08972159
.10200896 -.0285906 .02670982 -.0373785 .07645655 -.1555785 .17953539
.27850180 -.0793268 .08041079 -.1124823 .11813481 -.2623020 1.4798753
.43936620 -.1366825 .12030301 -.1663478 .47053356 -.7814880 -3.035690
.31824231 -.0770651 .11059197 -.1312383 -.6749759 2.3362096 2.5837958
.04761320 .29967959 -.5614517 1.2862180 -.6449575 -2.572716 -1.519641
-.0046048 .54772217 -.3963493 -1.045006 1.8487202 2.0838013 .87264654
.00260299 .29977172 .74669657 -.4043654 -2.039710 -1.340715 -.4274141
-.0006700 .03737279 .38289364 .92379800 1.1971413 .59502235 .15522853
* d-functions, max 4 functions can be used.
    4    4
1.5510000 .62800000 .25400000 .08890000
.20266095 -.4301070 1.0668065 -1.117806
.54447101 -.6134587 -.9881785 1.9705270
.37843168 .96114253 -.1476311 -1.904159
.03637670 .19412996 .80660634 1.1696891
************************************************************************
/Ar.ano.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 18
* s-functions, max 7 functions can be used.
   13    7
118022.38 17683.541 4027.7657 1145.3977 377.16375 138.15969 54.989117 23.170667
7.3778602 2.9236876 .65040462 .23282451 .08148858
.00030792 -.0000877 .00002748 -.0000301 .00004463 -.0000705 .00023148
.00238809 -.0006763 .00021307 -.0002411 .00044706 -.0006391 .00082926
.01232842 -.0035524 .00111116 -.0011964 .00155769 -.0026289 .01189383
.04905183 -.0142200 .00450582 -.0051978 .01066123 -.0146880 .00680905
.15094545 -.0473569 .01486949 -.0156522 .01596869 -.0315283 .22004669
.33160199 -.1164035 .03790408 -.0457422 .11359992 -.1490016 -.1021092
.40793475 -.2112621 .06869121 -.0679919 .00269198 -.1086414 2.0595398
.18574590 -.0946230 .03727290 -.0618034 .35091411 -.2593502 -4.247026
.01260678 .53120504 -.2463814 .37831352 -1.684185 2.3913556 3.9634966
-.0015604 .58727852 -.4102454 .40250734 1.5566143 -3.052724 -2.344698
.00047482 .04420117 .66348374 -2.088790 .30536663 2.7552221 1.0246185
-.0003175 -.0135608 .53673906 1.6895937 -1.879559 -2.829078 -.7051540
.00009758 .00406437 .01933624 .09790609 1.6335757 1.4966125 .26847913
* p-functions, max 7 functions can be used.
   10    7
663.06201 157.09281 50.231100 18.635345 7.4465372 3.0956982 1.1064633 .41560102
.14544900 .05090715
.00300047 -.0008500 .00107299 -.0019345 .00372647 -.0014118 .00385228
.02358427 -.0066400 .00878131 -.0110944 .02012616 -.0389467 .07898788
.10542454 -.0309167 .03908418 -.0755876 .15718057 -.0648787 .22958435
.28590850 -.0850804 .11748665 -.1386773 .26001325 -.6940104 1.2281027
.44253997 -.1458168 .17008459 -.4289638 .77264121 1.0623067 -2.847741
.30512211 -.0675804 .13851503 .49130234 -2.311629 -.3720344 2.7196058
.04222394 .32745596 -.9933854 1.0435765 2.3753532 -.5326905 -1.918167
-.0041210 .54750660 .05100334 -1.955515 -1.526528 1.2511044 1.4644498
.00179919 .28626511 .85463482 1.1960311 .38651164 -1.791227 -1.171478
-.0005501 .01046640 .00562153 .01665105 .27490919 1.4777872 .74016206
* d-functions, max 4 functions can be used.
    4    4
1.8730000 .76300000 .31100000 .10885000
.21184041 -.4906129 1.3131083 -.8035270
.54179893 -.5809847 -1.577217 1.5997519
.37621504 1.0447677 .49362669 -1.824163
.02755209 .07636694 .45056925 1.3622537
************************************************************************
/K.ano.Pierloot.17s12p4d.7s6p4d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 19
* s-functions, max 7 functions can be used.
   17    7
491258.49 73596.260 16749.085 4743.0646 1546.5723 557.61034 216.63552 88.976603
37.706670 14.622749 6.7469665 3.0346252 .90298592 .37318822 .06155351 .02553669
.01021330
.00005842 -.0000207 .00000435 -.0000010 .00000164 -.0000089 .00000430
.00045381 -.0001607 .00003401 -.0000077 .00001315 -.0000665 .00003197
.00237837 -.0008429 .00017722 -.0000395 .00006615 -.0003696 .00017722
.00992078 -.0035360 .00075221 -.0001711 .00029351 -.0014165 .00067643
.03480238 -.0125704 .00265519 -.0005879 .00097189 -.0054610 .00255915
.10256352 -.0384843 .00837390 -.0019141 .00326796 -.0135848 .00603698
.23961148 -.0980150 .02156418 -.0047068 .00742939 -.0363913 .01429188
.38126993 -.1925852 .04665380 -.0107376 .01770685 -.0301153 .00152170
.29621852 -.2174858 .05565267 -.0112839 .01480930 -.0547416 .00062542
.06375196 .09256514 -.0247979 .00231784 .00460019 .06700469 -.0053092
.02601417 .58909472 -.2772208 .06582098 -.1198318 -.0352794 .09730501
.02795313 .47571709 -.3324677 .05481428 -.0749382 1.2011223 -.5834327
.00130668 .00807837 .50767943 -.0742596 .09938682 -3.350821 1.6806609
-.0001492 -.0511821 .70161851 -.3229976 .64446308 2.7927007 -2.004991
.00000326 -.0017437 .07043030 .09186196 -1.963240 -.4306454 3.2440435
-.0000022 .00060097 -.0596924 .93438734 .95293980 -.6423106 -4.588157
.00000059 -.0001504 .00948955 .06211051 .61563072 .70496631 2.5088258
* p-functions, max 6 functions can be used.
   12    6
1189.7405 287.10831 100.91081 38.963165 15.620704 6.3813400 2.6350500 1.0954230
.45742400 .19160900 .06706320 .02347210
.00141380 -.0003330 .00006492 -.0001030 .00026569 -.0005749
.01038087 -.0024926 .00048585 -.0007411 .00250941 -.0023881
.04474237 -.0107684 .00209050 -.0033271 .00833263 -.0206907
.15406934 -.0390656 .00755029 -.0113904 .04065920 -.0398457
.35465661 -.0928555 .01777551 -.0282885 .06909479 -.2108919
.45431722 -.1340162 .02546473 -.0362870 .17159295 -.0313522
.19116706 .03118623 -.0049659 -.0020833 -.1983107 -.3792470
-.0186247 .40666025 -.0685490 .12037081 -.0311631 2.5726092
-.0279053 .49596210 -.0948197 .10952669 -1.389697 -3.699934
-.0146053 .20243950 -.0725824 .41463187 2.6727625 2.5051867
.00018929 .00793367 .20338465 -1.813054 -1.758628 -1.077092
-.0002814 .00119087 .87327808 1.2701316 .61694169 .34729877
* d-functions, max 4 functions can be used.
    4    4
.09333000 .03733200 .01493280 .00597300
.50545552 -1.133969 .97707492 -.2792430
.57601816 .89460794 -1.962369 .77772879
.02038626 .42432475 1.8848701 -1.361812
-.0488848 -.1489224 -.3578483 1.5560545
************************************************************************
/Ca.ano.Pierloot.17s12p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 20
* s-functions, max 7 functions can be used.
   17    7
542844.56 81324.557 18507.906 5241.1394 1708.9893 616.18926 239.42854 98.374581
41.714183 16.094079 7.4670486 3.3785876 1.0299133 .42260000 .06783130 .02752130
.01100704
.00005841 -.0000211 .00000685 -.0000015 .00000168 -.0000040 .00000445
.00045377 -.0001637 .00005340 -.0000117 .00001293 -.0000276 .00003190
.00237823 -.0008589 .00027903 -.0000607 .00006896 -.0001726 .00018813
.00991905 -.0036019 .00117888 -.0002590 .00028359 -.0005702 .00067503
.03479574 -.0127995 .00417698 -.0009072 .00104107 -.0027463 .00294084
.10249859 -.0391294 .01303884 -.0028805 .00311564 -.0057374 .00705759
.23924588 -.0993655 .03357530 -.0072985 .00852796 -.0244603 .02555592
.37922037 -.1936687 .07046608 -.0158860 .01668291 -.0237131 .03311773
.29253681 -.2151588 .08285525 -.0179913 .02303530 -.0914786 .08738845
.06468846 .09713469 -.0413350 .00742164 -.0174277 .16250618 -.1356168
.03281779 .56572226 -.3680599 .09616220 -.0875810 -.0727302 -.0621936
.03199147 .41996510 -.3885771 .09549962 -.1461187 .81888116 -.7006657
.00254060 .06391161 .59698724 -.1828193 .32722133 -2.338490 2.6028864
.00098313 .02369149 .64234271 -.4125599 .36853705 1.9343554 -2.675455
.00005600 .00332540 .03054920 .70539294 -2.343793 .21528538 2.6773522
-.0000300 -.0022266 -.0161582 .47715882 2.2431582 -1.863340 -3.596803
.00000915 .00073373 .00502950 -.0170617 -.1303073 1.6668265 2.0480948
* p-functions, max 7 functions can be used.
   12    7
1402.4271 338.55939 119.98925 46.809936 18.976191 7.8418350 3.2763530 1.3782930
.58247500 .24694600 .08643110 .03025090
.00127432 -.0004240 .00010198 -.0001083 .00018813 -.0006640 .00079655
.00936449 -.0031609 .00076323 -.0008870 .00197915 -.0026594 .01326604
.04001879 -.0135403 .00326097 -.0034027 .00557656 -.0231819 .02171266
.13890894 -.0489424 .01187257 -.0138978 .03155397 -.0390091 .23517856
.32858814 -.1190773 .02887702 -.0295265 .04521323 -.2288365 .14837834
.44618186 -.1775917 .04384101 -.0560399 .15212192 -.0112304 .99663602
.21822676 -.0069946 -.0020052 .02197499 -.1605925 -.4923062 -3.292956
.01508472 .41010521 -.1153319 .07370106 .11878904 2.7671460 3.7332826
.00741586 .51830550 -.1724895 .35745642 -1.615911 -3.775465 -2.561610
-.0004502 .18538460 -.0890756 -.1320833 2.9002155 2.4060826 1.2335269
.00070335 .00656569 .69200083 -1.309926 -2.127457 -.9689041 -.4438129
-.0002064 .00061610 .45318416 1.3511846 .86987929 .31060477 .13446667
* d-functions, max 4 functions can be used.
    4    4
.39250000 .15700000 .06280000 .02512000
.09888404 -.0644803 1.0290531 -1.225211
.35400289 -1.158453 -.5610936 1.9508367
.60583332 .93993886 -.6524638 -1.977800
.09979140 .24451693 .91827402 1.2888192
************************************************************************
/Sc.ano.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 21
* s-functions, max 8 functions can be used.
   17    8
595831.95 89262.932 20314.549 5752.7587 1875.8249 676.36545 262.84903 108.03945
45.845762 17.599193 8.1758057 3.7073193 1.1510335 .46961842 .07344447 .02915210
.01166084
.00006009 -.0000177 .00000596 -.0000014 .00000132 -.0000029 .00000545 -.0000104
.00046681 -.0001379 .00004654 -.0000112 .00001017 -.0000213 .00004016 -.0001176
.00244673 -.0007234 .00024264 -.0000582 .00005386 -.0001208 .00022772 -.0003336
.01020489 -.0030384 .00102866 -.0002484 .00022354 -.0004573 .00086263 -.0029948
.03580846 -.0108266 .00363227 -.0008701 .00081113 -.0018631 .00351277 -.0033980
.10553000 -.0333875 .01141770 -.0027637 .00246473 -.0048775 .00920796 -.0394121
.24664376 -.0862346 .02931475 -.0070072 .00662115 -.0158310 .02987004 -.0060659
.39199778 -.1741551 .06252706 -.0152506 .01330687 -.0241746 .04584989 -.2999516
.30492951 -.2006806 .07257241 -.0171619 .01739689 -.0497363 .09408609 .27122714
.05687780 .11467916 -.0394926 .00822088 -.0128290 .06590135 -.1200352 -1.303348
-.0061768 .60089368 -.3639082 .09571914 -.0756278 .07906535 -.1856408 4.9638413
.00319007 .42199655 -.3426053 .08484905 -.1026203 .39184087 -.7633883 -5.956426
-.0006749 .02591456 .63475994 -.1918562 .25651880 -1.203707 3.1165666 3.9796675
.00057940 -.0103293 .61045513 -.3448764 .24177373 .59264127 -3.145740 -2.000574
-.0001087 .00114430 .03293504 .58912786 -1.202046 2.0088946 2.5183921 .73942302
.00008800 -.0009622 -.0154802 .47056527 .12875424 -3.620658 -2.672381 -.6044501
-.0000308 .00033204 .00537263 .10847722 1.1149353 2.0664074 1.1623959 .21880638
* p-functions, max 7 functions can be used.
   12    7
3038.0112 720.01728 233.16928 88.303132 36.833425 16.242200 7.4130356 3.4354580
1.5037911 .64244973 .25790973 .10316389
.00039725 -.0001288 .00003301 -.0000931 .00008260 -.0004911 .00007799
.00343223 -.0011092 .00033649 -.0006367 .00160323 -.0012475 .01010821
.01834045 -.0060164 .00153670 -.0043703 .00374182 -.0238341 .00393294
.07014229 -.0233196 .00715795 -.0131686 .03503811 -.0252843 .24656844
.19215459 -.0668142 .01653799 -.0505143 .03180663 -.3145082 .01051960
.35486760 -.1277110 .04266272 -.0630014 .25111922 .05171262 1.9215496
.38334082 -.1512110 .02529727 -.1611919 -.1064395 -1.363824 -4.684684
.16352875 .04316084 .02411652 .16497334 .60325764 3.9229960 4.7762647
.01071303 .42102933 -.2222181 .13059627 -2.820633 -4.186003 -3.087080
-.0042175 .51075402 .00126022 1.1549316 3.7531820 2.6043175 1.5893542
-.0015597 .16496300 -.4673172 -2.473005 -2.423276 -1.154238 -.6726066
.00000405 .00301061 1.3027911 1.3027167 .81571032 .34349478 .20021871
* d-functions, max 7 functions can be used.
    9    7
73.620567 21.791985 7.9345241 3.1906836 1.3459404 .56274452 .22800864 .08530168
.03412067
.00200783 -.0017291 .00227659 -.0028976 .00473914 -.0077558 .03611870
.01458485 -.0127442 .01679043 -.0201964 .03273365 -.0778706 .01187916
.05647112 -.0490419 .06533207 -.0847873 .13840741 -.2771753 1.5792228
.15137363 -.1351418 .18265483 -.2246072 .40546359 -1.088513 -2.428695
.26962446 -.2259392 .29148509 -.3535377 .41687579 2.3294485 2.0158972
.33593168 -.2450678 .15767510 .28529328 -1.834676 -2.100978 -1.226115
.33313266 .05014496 -.6594302 .96346237 1.9951690 1.2614998 .62132900
.19538596 .48794111 -.3984025 -1.666767 -1.346809 -.6160220 -.2827766
.07088863 .47001248 .90831428 1.0608077 .57659338 .22550509 .10123883
* f-functions, max 4 functions can be used.
    4    4
1.4591756 .45236770 .14024120 .05609648
.07849586 -.2219224 .53297877 -1.016572
.31856947 -.5945608 .34487745 1.1565458
.53040941 -.1508360 -1.132176 -.9181883
.37189659 .79147054 .90042002 .49708337
************************************************************************
/Ti.ano.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 22
* s-functions, max 8 functions can be used.
   17    8
654125.31 97995.933 22302.012 6315.5811 2059.3549 742.55919 288.60525 118.65832
50.372387 19.281107 9.0193318 4.1177245 1.3063361 .53009179 .08139871 .03171529
.01268612
.00005742 -.0000252 .00000623 -.0000015 .00000130 -.0000032 .00000555 -.0000106
.00044604 -.0001961 .00004864 -.0000114 .00001005 -.0000239 .00004148 -.0001170
.00233782 -.0010282 .00025359 -.0000591 .00005323 -.0001352 .00023031 -.0003516
.00974792 -.0043104 .00107504 -.0002519 .00022093 -.0005126 .00089804 -.0029517
.03418769 -.0152901 .00379738 -.0008839 .00080203 -.0020866 .00352862 -.0038068
.10057976 -.0465641 .01194052 -.0028046 .00243783 -.0054751 .00970280 -.0384175
.23408779 -.1170782 .03069666 -.0071352 .00655959 -.0177574 .02973082 -.0113056
.36715798 -.2233449 .06551934 -.0155078 .01319817 -.0272689 .05002747 -.2889276
.27715599 -.2382184 .07593220 -.0175351 .01725521 -.0557768 .08955719 .23387519
.07127681 .11262009 -.0440433 .00922554 -.0134085 .07582140 -.1042075 -1.217796
.06868144 .59842005 -.3829335 .09836177 -.0759529 .09286343 -.2640598 4.9303809
.05464611 .40763215 -.3393121 .08328293 -.0986579 .43319837 -.6482974 -6.067719
.00307361 .02962772 .64594533 -.1980669 .25398479 -1.367584 2.9716858 4.1092406
-.0000542 -.0055272 .60487430 -.3316394 .22252723 .75136484 -3.036232 -2.048407
.00004949 .00122381 .03217458 .59524717 -1.112944 1.8465290 2.5283684 .75804587
-.0000340 -.0009487 -.0148500 .44878795 .00462969 -3.419022 -2.764364 -.6296677
.00001159 .00033282 .00535552 .12478378 1.1721253 1.9619523 1.2356963 .23456692
* p-functions, max 7 functions can be used.
   12    7
3401.4371 806.13331 261.10790 98.941565 41.310264 18.248338 8.3507394 3.8794969
1.7092186 .73240434 .29421660 .11768664
.00039109 -.0001273 .00003342 -.0000914 .00008475 -.0004947 .00001008
.00338300 -.0010983 .00034001 -.0006353 .00152344 -.0009795 .01032020
.01812977 -.0059738 .00156300 -.0043118 .00391241 -.0238391 -.0009458
.06962152 -.0232772 .00728305 -.0132535 .03330986 -.0196103 .25098083
.19178613 -.0671155 .01703792 -.0502034 .03522799 -.3181481 -.0634580
.35608170 -.1294501 .04389292 -.0653418 .23660902 .10595301 2.1019982
.38457824 -.1522449 .02656063 -.1589257 -.0589129 -1.488876 -4.875526
.16242705 .04924894 .02196761 .15937620 .53205946 4.0939795 4.8928697
.00834756 .42750814 -.2244824 .15074736 -2.768511 -4.360088 -3.143825
-.0066813 .50494395 -.0041494 1.1214979 3.7446046 2.7219883 1.6166683
-.0023762 .16150162 -.4459220 -2.459261 -2.433590 -1.213043 -.6858852
-.0000032 .00303373 1.2912918 1.3085058 .82206011 .36248858 .20443457
* d-functions, max 7 functions can be used.
    9    7
89.711389 26.626943 9.7884274 3.9700599 1.6927416 .71668337 .29399877 .11087448
.04434979
.00197112 -.0016904 .00249422 -.0031666 .00519756 -.0081067 .03369155
.01476713 -.0128061 .01888873 -.0227615 .03879584 -.0809466 .02413189
.05842935 -.0508483 .07638043 -.1012060 .17367478 -.3413934 1.5635260
.15874066 -.1414324 .21391711 -.2611233 .46224274 -.9235771 -2.547170
.28433796 -.2335643 .30937393 -.3169463 .15846734 2.3188445 2.2300099
.34805899 -.2234439 .08132789 .45486816 -1.620950 -2.302695 -1.402618
.31971181 .10623586 -.7249488 .70447981 2.0104399 1.4742448 .71800094
.17366214 .51835921 -.2047544 -1.574464 -1.468251 -.7437031 -.3249798
.04333103 .41970191 .82546208 1.0973310 .65867253 .27639478 .11554086
* f-functions, max 4 functions can be used.
    4    4
2.2004696 .64937640 .19163620 .07665450
.13025610 -.2735430 .56898897 -.9472512
.43210697 -.5634091 .17880600 1.1051590
.54434570 .09430229 -1.052524 -.9471733
.22364132 .72061022 .96085150 .55680947
************************************************************************
/V.ano.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 23
* s-functions, max 8 functions can be used.
   17    8
713920.52 106953.92 24340.670 6892.8997 2247.6124 810.45912 315.02740 129.55408
55.016385 20.974146 9.8721089 4.5345423 1.4656524 .59143123 .08901414 .03411330
.01364532
.00005672 -.0000272 .00000636 -.0000015 .00000130 -.0000034 .00000567 -.0000108
.00044061 -.0002116 .00004972 -.0000115 .00001000 -.0000249 .00004269 -.0001165
.00230942 -.0011096 .00025923 -.0000597 .00005303 -.0001410 .00023469 -.0003604
.00962835 -.0046507 .00109903 -.0002544 .00021990 -.0005352 .00092730 -.0029238
.03376374 -.0164838 .00388256 -.0008938 .00079930 -.0021757 .00358496 -.0040067
.09927114 -.0501116 .01221463 -.0028334 .00242734 -.0057224 .01007586 -.0378847
.23069894 -.1254224 .03142506 -.0072286 .00654877 -.0185330 .03009221 -.0138979
.35996037 -.2368902 .06713939 -.0156849 .01315692 -.0286028 .05277850 -.2831410
.26870735 -.2478720 .07753127 -.0177695 .01722657 -.0580234 .08852512 .21456382
.07549003 .11826298 -.0486455 .01038874 -.0143729 .08147336 -.1008454 -1.173543
.08773647 .60018754 -.3968025 .10049717 -.0763420 .09989962 -.3103184 4.9364855
.06605930 .39609544 -.3303019 .08071716 -.0956309 .44392812 -.5817300 -6.184071
.00382056 .02855073 .65683936 -.2026347 .25414590 -1.417913 2.8892583 4.2141794
-.0001568 -.0050927 .59860019 -.3193896 .20644050 .80328241 -2.958068 -2.072984
.00006672 .00107613 .03097907 .60245710 -1.063188 1.7647544 2.4764624 .75978385
-.0000476 -.0008340 -.0142959 .43163694 -.0537029 -3.318535 -2.744180 -.6375450
.00001660 .00029657 .00528213 .13432835 1.1963807 1.9156529 1.2455669 .24244357
* p-functions, max 7 functions can be used.
   12    7
3780.9829 896.06643 290.28429 110.05292 45.987590 20.345649 9.3315700 4.3432708
1.9229696 .82556867 .33173511 .13269404
.00038591 -.0001273 .00003422 -.0000938 .00009984 -.0004675 .00003632
.00334171 -.0011003 .00034661 -.0006780 .00149551 -.0009124 -.0101188
.01795298 -.0059980 .00160711 -.0044331 .00462904 -.0227248 .00209294
.06918508 -.0234754 .00746840 -.0142962 .03274662 -.0180115 -.2453127
.19146385 -.0680213 .01772168 -.0518094 .04589829 -.3039583 .07872976
.35695651 -.1321325 .04537820 -.0735824 .22576023 .08804627 -2.158810
.38498220 -.1540845 .02824839 -.1581137 .00689397 -1.469044 4.9661865
.16126901 .05457673 .01939743 .15083726 .36332440 4.1319453 -4.995410
.00763191 .43278764 -.2283653 .23107115 -2.586645 -4.510374 3.2230391
-.0071034 .49985960 -.0116172 .99543154 3.6790931 2.8906492 -1.658349
-.0025289 .15850743 -.4176743 -2.383308 -2.469185 -1.315001 .70444402
.00000066 .00303620 1.2757515 1.2966858 .85110774 .39628535 -.2101584
* d-functions, max 7 functions can be used.
    9    7
104.13047 30.955794 11.442291 4.6671570 2.0003343 .85081394 .34977184 .13171490
.05268596
.00198420 -.0019024 .00259915 -.0034487 .00503879 -.0092900 .03177364
.01511683 -.0146143 .01982710 -.0256635 .04027136 -.0729966 .03753081
.06061251 -.0591720 .08294547 -.1142471 .17666179 -.3905631 1.5468874
.16496622 -.1651004 .23061120 -.3088938 .50954685 -.7946581 -2.596820
.29337236 -.2655149 .31649683 -.2747822 -.0858832 2.2614465 2.3457193
.35196841 -.2056399 -.0348492 .64432757 -1.359017 -2.394363 -1.520086
.31083928 .20037919 -.7191938 .38007456 1.9697492 1.6146968 .79457277
.16150598 .52257676 -.0332512 -1.395400 -1.591190 -.8478436 -.3638815
.03311545 .34104874 .77629662 1.0806998 .76016725 .32264858 .13011619
* f-functions, max 4 functions can be used.
    4    4
3.0569420 .91846949 .27595754 .11038302
.15644094 -.3058150 .58242804 -.9360445
.48371363 -.5288468 .09510262 1.1345601
.51393535 .21367999 -1.015280 -1.005152
.17587866 .67064777 .98860726 .59287044
************************************************************************
/Cr.ano.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 24
* s-functions, max 8 functions can be used.
   17    8
775533.34 116184.56 26441.430 7487.8158 2441.6119 880.43284 342.25973 140.78744
59.806218 22.700582 10.739154 4.9585795 1.6294536 .65405592 .09646006 .03641221
.01456488
.00005723 -.0000268 .00000649 -.0000015 .00000129 -.0000034 .00000585 -.0000109
.00044449 -.0002083 .00005073 -.0000115 .00000998 -.0000250 .00004385 -.0001164
.00232981 -.0010919 .00026447 -.0000600 .00005294 -.0001414 .00024094 -.0003690
.00971308 -.0045778 .00112143 -.0002552 .00021939 -.0005373 .00095466 -.0029083
.03406236 -.0162279 .00396186 -.0008974 .00079828 -.0021806 .00367434 -.0042056
.10014559 -.0493929 .01246948 -.0028427 .00242235 -.0057531 .01040231 -.0374765
.23271131 -.1238198 .03209834 -.0072668 .00654919 -.0185794 .03081307 -.0164395
.36276984 -.2347986 .06861654 -.0157481 .01313854 -.0288543 .05485036 -.2781159
.27054473 -.2455006 .07887123 -.0178275 .01719501 -.0578217 .08964880 .19610292
.07471932 .12799885 -.0538008 .01154884 -.0154198 .08386149 -.1048142 -1.122226
.08106241 .60533551 -.4097692 .10192365 -.0768423 .10309780 -.3387043 4.9226437
.06009843 .38641407 -.3194502 .07706611 -.0925176 .43550265 -.5453163 -6.276371
.00331771 .02756042 .66622518 -.2044371 .25411779 -1.397191 2.8520295 4.2971393
-.0000196 -.0046129 .59249526 -.3075083 .19302952 .78468653 -2.907177 -2.083014
.00003765 .00094938 .02994887 .60366374 -1.020574 1.7460469 2.3931362 .75113126
-.0000252 -.0007360 -.0138806 .41816748 -.1082536 -3.287182 -2.656565 -.6335082
.00000876 .00026482 .00523081 .14607905 1.2184815 1.8997985 1.2134293 .24437052
* p-functions, max 7 functions can be used.
   12    7
4177.2023 989.94948 320.74221 121.65403 50.872520 22.537366 10.357026 4.8275858
2.1455533 .92228644 .37058761 .14823504
.00038100 -.0001297 .00003484 -.0000970 .00011141 -.0004430 .00001024
.00330212 -.0011218 .00035200 -.0007245 .00147994 -.0009053 -.0097948
.01777846 -.0061254 .00164176 -.0045964 .00520479 -.0216137 .00056844
.06872086 -.0240602 .00762468 -.0154156 .03248028 -.0179021 -.2377482
.19091429 -.0699601 .01827867 -.0539071 .05443411 -.2892254 .05293088
.35707209 -.1366054 .04667827 -.0820875 .21942799 .06517397 -2.128588
.38424958 -.1577220 .02947586 -.1595439 .05906163 -1.433649 4.9663181
.16037947 .05866287 .01720878 .14798968 .21093181 4.1415561 -5.034970
.00962932 .43680727 -.2320701 .30952036 -2.408338 -4.626225 3.2662386
-.0044510 .49530738 -.0153949 .86579980 3.6092030 3.0349969 -1.681152
-.0017155 .15640212 -.3975812 -2.299740 -2.504436 -1.406434 .71453634
.00002215 .00304421 1.2643425 1.2781256 .88151159 .42731762 -.2133394
* d-functions, max 7 functions can be used.
    9    7
118.40027 35.240466 13.077625 5.3576501 2.3039322 .98204661 .40349596 .15139348
.06055739
.00200909 -.0021488 .00263953 -.0036623 .00503108 -.0098962 .02987363
.01548956 -.0166653 .02030214 -.0279762 .04154259 -.0676114 .05374679
.06272358 -.0686324 .08671443 -.1254521 .18470900 -.4284681 1.5239073
.17048745 -.1909144 .24074398 -.3474169 .53801410 -.6801969 -2.623448
.30033187 -.2964179 .30678544 -.2198959 -.2866088 2.1863825 2.4233109
.35422867 -.1768480 -.1298175 .76764702 -1.102571 -2.440771 -1.602625
.30423138 .28242088 -.6961601 .11277266 1.8722386 1.7220773 .85081120
.15195942 .51799310 .12251145 -1.218570 -1.658360 -.9444091 -.3948694
.02523259 .26126513 .72556154 1.0560421 .84428121 .37199987 .14291450
* f-functions, max 4 functions can be used.
    4    4
4.1272363 1.2495307 .37829840 .15131940
.15668999 -.3026612 .57121527 -.9487507
.50412697 -.5292383 .09450484 1.1358897
.50338434 .25937043 -1.017561 -1.006462
.15839720 .64970002 1.0064037 .59376926
************************************************************************
/Mn.ano.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 25
* s-functions, max 8 functions can be used.
   17    8
838614.74 125635.08 28592.191 8096.8795 2640.2229 952.07110 370.14299 152.29321
64.713882 24.442217 11.611208 5.3854597 1.7961999 .71706245 .10334880 .03849073
.01539629
.00005792 -.0000261 .00000659 -.0000015 .00000134 -.0000034 .00000593 -.0000108
.00044987 -.0002031 .00005146 -.0000116 .00001032 -.0000252 .00004506 -.0001151
.00235803 -.0010649 .00026833 -.0000606 .00005490 -.0001425 .00024427 -.0003683
.00983037 -.0044663 .00113777 -.0002575 .00022679 -.0005407 .00098386 -.0028695
.03447444 -.0158356 .00402010 -.0009070 .00082862 -.0021984 .00371406 -.0042312
.10134751 -.0482729 .01265605 -.0028690 .00250233 -.0057869 .01077567 -.0369388
.23545702 -.1212645 .03259176 -.0073538 .00681269 -.0187565 .03098888 -.0170740
.36667722 -.2311991 .06968177 -.0158888 .01354490 -.0289897 .05761603 -.2734836
.27316873 -.2417084 .07964015 -.0179931 .01792203 -.0582490 .08734639 .18927713
.07310645 .13941442 -.0594801 .01305598 -.0177118 .08864045 -.0999732 -1.111359
.07171323 .61168014 -.4211787 .10367563 -.0789809 .10155722 -.3847827 4.9525096
.05263890 .37654442 -.3065799 .07410552 -.0950542 .43883669 -.4774843 -6.388653
.00246757 .02489214 .67855473 -.2092218 .27209632 -1.417329 2.7744038 4.3886279
-.0000728 -.0053970 .58378855 -.2974562 .17679116 .82745647 -2.831395 -2.099546
.00000003 .00077651 .02759718 .62010685 -1.079272 1.6423598 2.3278050 .75095493
.00000162 -.0006156 -.0130718 .41369673 .03479416 -3.216088 -2.630580 -.6424282
-.0000009 .00022408 .00493712 .13010689 1.1377189 1.9188567 1.2312329 .25347229
* p-functions, max 7 functions can be used.
   12    7
4590.5190 1087.8824 352.51409 133.75729 55.970423 24.826081 11.428327 5.3330131
2.3770430 1.0224283 .41080326 .16432131
.00037715 -.0001312 .00003594 -.0001003 .00013157 -.0004133 .00010659
.00327126 -.0011362 .00036074 -.0007665 .00141906 -.0008296 -.0100298
.01764583 -.0062135 .00169903 -.0047631 .00621908 -.0201063 .00566809
.06839273 -.0244880 .00784964 -.0164379 .03109933 -.0163346 -.2422936
.19064458 -.0714333 .01909734 -.0561230 .06947198 -.2687080 .13765595
.35750456 -.1401369 .04828872 -.0895208 .19777364 .06059303 -2.312372
.38377277 -.1602620 .03145694 -.1614658 .15453320 -1.440998 5.1580676
.15936984 .06295882 .01393116 .14706821 -.0219268 4.1889303 -5.162554
.01062404 .44137971 -.2368504 .38434122 -2.141327 -4.785934 3.3330433
-.0029925 .49132116 -.0234955 .73445012 3.4759128 3.2342731 -1.714743
-.0012649 .15294265 -.3646189 -2.214795 -2.509619 -1.539525 .73195483
.00003735 .00303576 1.2456514 1.2646849 .90355150 .47417261 -.2192820
* d-functions, max 7 functions can be used.
    9    7
133.76344 39.855580 14.842291 6.1043204 2.6334654 1.1254205 .46283239 .17348366
.06939346
.00201130 -.0017084 .00267915 -.0035097 .00500764 -.0097868 .03112036
.01567022 -.0134874 .02069035 -.0278988 .04252775 -.0579875 .02518943
.06409818 -.0553063 .08933007 -.1215144 .18629101 -.4156381 1.5769096
.17410773 -.1555791 .24607470 -.3538281 .58827463 -.6926128 -2.663211
.30417346 -.2482858 .32935168 -.2406358 -.3641435 2.2153221 2.4399569
.35270248 -.1819295 -.0894931 .70354360 -1.062520 -2.502079 -1.610709
.29737317 .20530572 -.6007609 .30735513 1.8403118 1.7855844 .85610532
.14783720 .42426317 -.2257052 -1.334576 -1.561110 -.9786969 -.3966510
.03441840 .46409351 .83600384 .98704959 .72785840 .37709614 .14207307
* f-functions, max 4 functions can be used.
    4    4
4.9335243 1.5161802 .46595541 .18638216
.15254933 -.3174537 .58952224 -.9433029
.50262587 -.5348640 .05061644 1.1578305
.49770206 .28395092 -.9881180 -1.049562
.16669833 .62401464 1.0064282 .62350044
************************************************************************
/Fe.ano.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 26
* s-functions, max 8 functions can be used.
   17    8
906706.97 135836.13 30913.755 8754.3148 2854.6062 1029.3965 400.23829 164.71075
70.017515 26.393494 12.575027 5.8503106 1.9762852 .78703843 .11246274 .04124385
.01649754
.00006099 -.0000182 .00000662 -.0000015 .00000133 -.0000037 .00000581 -.0000107
.00047373 -.0001416 .00005171 -.0000117 .00001023 -.0000276 .00004469 -.0001134
.00248319 -.0007423 .00026962 -.0000608 .00005435 -.0001559 .00023801 -.0003632
.01035568 -.0031218 .00114327 -.0002582 .00022488 -.0005929 .00098183 -.0028266
.03634182 -.0111196 .00404029 -.0009103 .00082019 -.0024061 .00359647 -.0041777
.10707468 -.0344255 .01272507 -.0028777 .00248390 -.0063544 .01084965 -.0363731
.24999725 -.0891117 .03279986 -.0073922 .00674713 -.0205418 .02972880 -.0169624
.39477472 -.1812635 .07020152 -.0159565 .01348615 -.0319673 .05931574 -.2693360
.30300892 -.2037637 .08013125 -.0181041 .01767758 -.0636028 .07960669 .18774572
.05322214 .15452989 -.0631099 .01400365 -.0179652 .09843930 -.0789504 -1.126982
-.0119123 .62043525 -.4289273 .10476136 -.0799526 .11734868 -.4358656 5.0123784
.00136286 .37378090 -.2968508 .07156953 -.0895930 .47061122 -.3923360 -6.508812
-.0009400 .02177677 .68529300 -.2104275 .26304511 -1.566415 2.6530652 4.4886402
.00065732 -.0071245 .57917981 -.2896252 .17698708 .97365353 -2.748779 -2.130526
-.0001031 .00059638 .02712350 .61528615 -1.045931 1.4971281 2.3527093 .75785163
.00008302 -.0005006 -.0126665 .41019784 -.0173368 -3.036034 -2.733425 -.6539896
-.0000308 .00018404 .00489881 .13874197 1.1596331 1.8304778 1.3114394 .26312569
* p-functions, max 7 functions can be used.
   12    7
5020.9705 1189.8748 385.60324 146.36388 61.281634 27.211761 12.545738 5.8603744
2.6194188 1.1281237 .45272171 .18108869
.00037505 -.0001294 .00003795 -.0001047 .00014877 -.0003838 .00025247
.00325518 -.0011222 .00037647 -.0008197 .00132294 -.0008017 -.0104641
.01759003 -.0061476 .00180021 -.0049861 .00708291 -.0186064 .01213653
.06834385 -.0243092 .00822264 -.0177038 .02889995 -.0158664 -.2499886
.19110177 -.0711956 .02043133 -.0589520 .08267285 -.2484843 .24581957
.35918008 -.1403589 .05067734 -.0983871 .16999134 .05202681 -2.534184
.38460706 -.1592460 .03490195 -.1658127 .25532598 -1.435755 5.3848965
.15778189 .06847733 .00923192 .14694801 -.2566890 4.2156992 -5.319126
.00773995 .44534958 -.2452254 .48415513 -1.862152 -4.921826 3.4247914
-.0058336 .48752147 -.0372251 .55456161 3.3367576 3.4168476 -1.765429
-.0021476 .15002478 -.3128037 -2.093508 -2.530975 -1.668536 .75778184
.00002606 .00301701 1.2156204 1.2469635 .93970914 .52244867 -.2283704
* d-functions, max 7 functions can be used.
    9    7
145.81692 43.474022 16.210833 6.6818934 2.8800526 1.2247972 .49861638 .18429552
.07371821
.00211406 -.0021303 .00283356 -.0037779 .00490158 -.0103610 .03141906
.01651630 -.0167563 .02208498 -.0308955 .04361849 -.0453982 .00810963
.06766020 -.0693966 .09535278 -.1320189 .18381686 -.4282152 1.5977322
.18172248 -.1923218 .26462165 -.4028332 .64494633 -.5841853 -2.671009
.31012418 -.2984978 .31341311 -.1516339 -.6816616 2.0890827 2.4391911
.35083535 -.1576863 -.2345138 .87652200 -.5954262 -2.497311 -1.621484
.29129592 .30807574 -.6116586 -.1438564 1.5741114 1.9091635 .88092516
.14624385 .48638278 .10431111 -1.011072 -1.611350 -1.150589 -.4267998
.02970120 .28072431 .71315798 .97799449 .86755691 .48594439 .16074965
* f-functions, max 4 functions can be used.
    4    4
5.6161892 1.7414540 .53998574 .21599430
.15428661 -.3476290 .63814024 -.9062497
.50949360 -.5370519 -.0690245 1.1659517
.49265380 .35959901 -.8878813 -1.126566
.15886920 .55752474 .99551807 .70394437
************************************************************************
/Co.ano.Pierloot.17s12p9d4f.7s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 27
* s-functions, max 7 functions can be used.
   17    7
976441.49 146283.40 33291.377 9427.6297 3074.1706 1108.5937 431.06577 177.43445
75.453925 28.370691 13.549276 6.3200524 2.1596575 .85749674 .12099791 .04376480
.01750592
.00005381 -.0000258 .00002355 -.0000015 .00000131 -.0000040 .00000590
.00041796 -.0002007 .00018328 -.0000117 .00001009 -.0000299 .00004623
.00219070 -.0010532 .00095971 -.0000610 .00005350 -.0001681 .00024009
.00912998 -.0043989 .00403401 -.0002591 .00022175 -.0006455 .00102430
.03199716 -.0155356 .01428443 -.0009138 .00080717 -.0025878 .00359583
.09387234 -.0464395 .04380641 -.0028874 .00245194 -.0069482 .01145955
.21694270 -.1126539 .11032044 -.0074261 .00664178 -.0220347 .02932339
.33242720 -.1949107 .21464037 -.0160104 .01334947 -.0353811 .06443413
.23894252 -.1780806 .22586868 -.0181400 .01729786 -.0670317 .07229344
.08908404 .05701117 -.1495609 .01497317 -.0181683 .10325761 -.0535772
.12006167 .16590660 -.7344540 .10556287 -.0805587 .14868502 -.5441213
.07549996 .07543827 -.4521736 .06827727 -.0833908 .46862859 -.2214690
.07527980 .46035259 .51183101 -.2100623 .25352241 -1.663163 2.4714138
.05698730 .36409753 .43986537 -.2819779 .17502379 1.0787179 -2.633560
.00271598 .01726529 .01963956 .61057652 -1.016548 1.3820553 2.3452964
-.0012824 -.0083093 -.0089062 .41374973 -.0565450 -2.887437 -2.791106
.00050538 .00320279 .00357443 .13817803 1.1766340 1.7572195 1.3663373
* p-functions, max 7 functions can be used.
   12    7
5468.5843 1295.9327 420.01172 159.47474 66.806703 29.694821 13.709114 6.4089207
2.8708015 1.2372753 .49602526 .19841011
.00037219 -.0001311 .00003900 -.0001080 .00016211 -.0003762 .00005552
.00323240 -.0011382 .00038549 -.0008525 .00128047 -.0013266 -.0095953
.01749318 -.0062429 .00185418 -.0051537 .00776599 -.0184704 .00120803
.06811422 -.0247496 .00845208 -.0184919 .02791889 -.0287547 -.2305428
.19095622 -.0726626 .02118967 -.0611624 .09257079 -.2430913 .09062323
.35951596 -.1437020 .05232976 -.1039380 .15603308 -.0668019 -2.223163
.38386233 -.1615375 .03656127 -.1721314 .32490944 -1.126777 5.1685325
.15685101 .07220997 .00664268 .15348643 -.4467231 3.9083218 -5.379806
.00908275 .44858684 -.2526418 .54886877 -1.621470 -4.811421 3.6316436
-.0040502 .48404945 -.0380395 .42831139 3.2008793 3.4556959 -1.936777
-.0016069 .14768866 -.2893525 -2.003259 -2.525402 -1.732879 .84822402
.00004451 .00298173 1.2009135 1.2272487 .95815594 .55111994 -.2579109
* d-functions, max 7 functions can be used.
    9    7
159.62855 47.623507 17.788425 7.3487739 3.1679947 1.3441004 .54402906 .19934594
.07973837
.00217672 -.0022864 .00285240 -.0038624 .00521521 -.0107919 .02752891
.01707973 -.0180760 .02245120 -.0325102 .04576101 -.0405380 .02901964
.07019299 -.0752559 .09675494 -.1367365 .20238372 -.4623474 1.5634733
.18711842 -.2071923 .26948111 -.4289131 .67023442 -.4533155 -2.665353
.31432834 -.3087929 .30382671 -.0983202 -.8628951 1.9415486 2.4698722
.35012068 -.1291789 -.2813258 .91019361 -.3253472 -2.449486 -1.667128
.28731309 .33730026 -.5760459 -.2726376 1.3834342 1.9670240 .92178060
.14161664 .46917057 .14495827 -.9014079 -1.558825 -1.252346 -.4577557
.02708533 .26218358 .69803189 .93836681 .87962453 .55119810 .17658971
* f-functions, max 4 functions can be used.
    4    4
6.3680078 1.9927409 .62358848 .24943539
.16078666 -.3677443 .66446681 -.8849029
.51879214 -.5240603 -.1385800 1.1754245
.48145191 .39894847 -.8287752 -1.173169
.15247452 .52682076 .98373449 .74711345
************************************************************************
/Ni.ano.Pierloot.17s12p9d4f.7s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 28
* s-functions, max 7 functions can be used.
   17    7
1048516.6 157081.28 35748.786 10123.539 3301.1035 1190.4502 462.93093 190.58943
81.077631 30.412305 14.550885 6.8013480 2.3483220 .92972800 .12949200 .04623100
.01849240
.00005723 -.0000286 .00000687 -.0000015 .00000130 -.0000042 .00000564
.00044450 -.0002227 .00005366 -.0000117 .00001005 -.0000314 .00004424
.00233003 -.0011674 .00027985 -.0000608 .00005331 -.0001764 .00022896
.00971168 -.0048956 .00118651 -.0002582 .00022091 -.0006764 .00098112
.03405384 -.0173419 .00419502 -.0009117 .00080454 -.0027169 .00342439
.10002090 -.0527828 .01321519 -.0028790 .00244328 -.0072788 .01099010
.23187433 -.1319391 .03410978 -.0074207 .00662581 -.0231624 .02785542
.35809132 -.2488170 .07299970 -.0159828 .01330916 -.0370506 .06205515
.26236997 -.2532070 .08282685 -.0181312 .01722040 -.0704681 .06757342
.08019811 .15740327 -.0731550 .01601082 -.0189501 .11174096 -.0474095
.09457882 .61782909 -.4496318 .10611790 -.0807437 .15456563 -.5260568
.06241829 .35065304 -.2783705 .06555158 -.0803249 .49361733 -.2286149
.00290144 .02240032 .69847981 -.2113994 .25143465 -1.764292 2.4187998
-.0000877 -.0043346 .56855062 -.2744516 .16868945 1.1807328 -2.579270
-.0000026 .00056568 .02541647 .61294937 -.9980215 1.2696664 2.3503803
.00000339 -.0004455 -.0119240 .40818300 -.0735924 -2.750835 -2.852914
-.0000016 .00016680 .00471185 .14082512 1.1817831 1.6940715 1.4200416
* p-functions, max 7 functions can be used.
   12    7
5933.6255 1406.1190 455.75999 173.09765 72.548921 32.276770 14.919255 6.9792340
3.1317910 1.3504010 .54082600 .21633040
.00037167 -.0001271 .00004117 -.0001103 .00016602 -.0003455 .00033117
.00322970 -.0011043 .00040229 -.0008782 .00124307 -.0008761 -.0104252
.01750398 -.0060673 .00196202 -.0052740 .00796042 -.0167969 .01615829
.06829583 -.0241282 .00884889 -.0191513 .02717787 -.0179767 -.2508213
.19196068 -.0711290 .02260243 -.0628982 .09628406 -.2235791 .32245532
.36201606 -.1413257 .05482285 -.1086107 .14716653 .01223864 -2.698900
.38552196 -.1577277 .04016450 -.1753834 .36474513 -1.348991 5.5828536
.15481577 .07805793 .00136871 .16190470 -.5557083 4.1583791 -5.507289
.00355468 .45148357 -.2615875 .59037543 -1.475947 -5.033280 3.5667952
-.0096561 .48077266 -.0498997 .33070585 3.1206478 3.6247701 -1.847691
-.0033089 .14560009 -.2392003 -1.934957 -2.533518 -1.832968 .79855722
.00001201 .00296830 1.1705384 1.2270821 .97914508 .58761391 -.2424708
* d-functions, max 7 functions can be used.
    9    7
174.16516 51.992632 19.451700 8.0521040 3.4719070 1.4703570 .59233100 .21544200
.08617680
.00222769 -.0024823 .00283240 -.0039510 .00544550 -.0112575 .03036908
.01755001 -.0196861 .02243367 -.0334489 .04499177 -.0340543 .00747112
.07234672 -.0824084 .09677841 -.1401699 .20940120 -.4666953 1.5911537
.19160536 -.2257871 .27164942 -.4517401 .68265537 -.4013782 -2.685803
.31760951 -.3257838 .28294319 -.0456656 -.9820530 1.8672693 2.4782341
.34861133 -.1015284 -.3314484 .92852625 -.1286249 -2.418885 -1.671718
.28322993 .37922782 -.5335524 -.3888575 1.2386437 1.9995604 .92870370
.14007639 .45423706 .20897341 -.7919071 -1.525443 -1.322706 -.4680421
.02618769 .21751231 .67641046 .90881491 .89905364 .60135268 .18388591
* f-functions, max 4 functions can be used.
    4    4
7.1638223 2.2546869 .70962297 .28384919
.16263193 -.3750230 .67735408 -.8762577
.52134208 -.5212318 -.1704553 1.1802802
.47728424 .41628119 -.8005502 -1.195024
.15086338 .51250484 .97636731 .76848514
************************************************************************
/Cu.ano.Pierloot.17s12p9d4f.8s8p8d4f.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 29
* s-functions, max 8 functions can be used.
   17    8
1123002.3 168240.34 38288.399 10842.728 3535.6292 1275.0472 495.86540 204.18880
86.894504 32.522758 15.581754 7.2947696 2.5424472 1.0038419 .13797997 .04865692
.01946277
.00006145 -.0000185 .00000705 -.0000014 .00000136 -.0000055 .00000572 -.0000113
.00047732 -.0001438 .00005511 -.0000112 .00001051 -.0000423 .00004737 -.0001102
.00250209 -.0007536 .00028739 -.0000582 .00005554 -.0002286 .00022648 -.0004263
.01043364 -.0031709 .00121845 -.0002471 .00023143 -.0009259 .00108032 -.0026381
.03661524 -.0112912 .00430811 -.0008721 .00083690 -.0034670 .00326397 -.0055547
.10784993 -.0350066 .01357098 -.0027559 .00256607 -.0102186 .01264290 -.0332069
.25159030 -.0906337 .03502560 -.0071018 .00687721 -.0287220 .02451422 -.0321826
.39576143 -.1846425 .07489909 -.0153147 .01406429 -.0555602 .07857854 -.2369835
.30130490 -.2044648 .08456814 -.0172840 .01758367 -.0780540 .03677268 .07449374
.05143264 .17558774 -.0783832 .01605306 -.0193065 .09701011 .06446571 -.6961453
-.0129796 .62576702 -.4609703 .10234308 -.0887630 .37894124 -.9377494 4.4140140
.00145565 .34722206 -.2688938 .05912520 -.0745083 .35788394 .49587775 -6.368055
-.0013175 .02453754 .70398153 -.1989938 .25437536 -2.077361 1.5690198 4.7696172
.00040266 -.0017125 .56298608 -.2603487 .17091768 1.5939304 -2.066876 -2.358111
-.0001088 .00059860 .02539416 .56784084 -.9705538 .81169065 2.4353149 .94306720
.00008330 -.0004381 -.0119274 .39319447 -.1766147 -2.143972 -3.211071 -.8936463
-.0000319 .00016680 .00479230 .20573843 1.2161504 1.3708760 1.6634118 .39273807
* p-functions, max 8 functions can be used.
   12    8
6416.1275 1520.4419 492.85084 187.23370 78.508757 34.957823 16.176254 7.5713696
3.4024548 1.4675537 .58714218 .23485687
.00036896 -.0001303 .00004471 -.0001138 .00018237 -.0003253 .00000244 -.0033975
.00320768 -.0011324 .00043029 -.0008935 .00109709 -.0018129 .00898063 .01591938
.01740606 -.0062271 .00213568 -.0054308 .00864253 -.0164683 -.0001387 -.1793450
.06803207 -.0248097 .00948720 -.0195233 .02380024 -.0404782 .22243205 .38592444
.19160374 -.0732388 .02479139 -.0649420 .10676942 -.2194544 -.0479322 -2.970219
.36171945 -.1457569 .05867270 -.1103345 .11140162 -.1883142 2.1360590 5.5546341
.38405261 -.1611817 .04636856 -.1918464 .48954141 -.8237394 -5.147025 -5.600534
.15431239 .08061974 -.0051332 .17279588 -.8302879 3.5999843 5.5332930 3.9047931
.00679142 .45375578 -.2840438 .67982709 -1.133618 -4.743634 -3.892816 -2.146949
-.0059293 .47788917 -.0537613 .14689112 2.9148849 3.5875884 2.1643078 1.0271312
-.0021851 .14400215 -.1768955 -1.799559 -2.515156 -1.889461 -.9821209 -.4281946
.00003863 .00295708 1.1292763 1.2118112 1.0038559 .62162297 .30498691 .12934403
* d-functions, max 8 functions can be used.
    9    8
189.35533 56.559847 21.192061 8.7882397 3.7900670 1.6026653 .64303656 .23235539
.09294216
.00227330 -.0027776 .00324621 -.0042131 .00683953 -.0124083 .02723530 -.1267182
.01797865 -.0221496 .02670598 -.0375962 .04685376 -.0190551 .02384702 1.6624538
.07430220 -.0930647 .11236422 -.1531653 .27431678 -.5330516 1.5410552 -2.019944
.19566510 -.2540487 .33091949 -.5198679 .68111750 -.0609499 -2.679646 1.5920290
.32061863 -.3529008 .25810885 .19261153 -1.392769 1.3934828 2.5577187 -1.019420
.34827259 -.0579833 -.5437476 .89045226 .65486766 -2.164543 -1.805016 .55960394
.28083487 .44487091 -.4016618 -.8153262 .55015061 2.0850376 1.0663740 -.2727045
.13664795 .43791429 .47853170 -.2870487 -1.252435 -1.636271 -.5870713 .12667155
.01997332 .11930492 .44054684 .78748585 .94289303 .86239427 .25219747 -.0486142
* f-functions, max 4 functions can be used.
    4    4
8.0537236 2.5426794 .80276139 .32110456
.17533646 -.4223988 .73582890 -.8047212
.54971430 -.4911042 -.3531949 1.1441547
.46465349 .54684146 -.5974652 -1.267648
.10902639 .39739510 .93063805 .89151877
************************************************************************
/Zn.ano.Pierloot.17s12p9d4f.8s8p8d4f.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 30
* s-functions, max 8 functions can be used.
   17    8
1199478.9 179697.65 40895.878 11581.135 3776.4226 1361.9075 529.68448 218.15748
92.872654 34.681151 16.631092 7.7951644 2.7403973 1.0788920 .14607167 .05092587
.02037035
.00006267 -.0000146 .00000743 -.0000016 .00000245 -.0000063 .00000448 -.0000106
.00048678 -.0001137 .00005799 -.0000125 .00001848 -.0000481 .00004502 -.0001032
.00255165 -.0005960 .00030261 -.0000655 .00010119 -.0002622 .00015848 -.0003809
.01064174 -.0025140 .00128196 -.0002774 .00040187 -.0010482 .00110328 -.0024987
.03735473 -.0089847 .00453753 -.0009824 .00154494 -.0039967 .00194942 -.0048571
.11012060 -.0282212 .01427753 -.0030920 .00438317 -.0114697 .01394063 -.0312571
.25734045 -.0747873 .03691731 -.0080160 .01299152 -.0335761 .01011545 -.0282106
.40682800 -.1596657 .07872166 -.0171577 .02307669 -.0610992 .09984902 -.2215849
.31270353 -.1842408 .08879690 -.0195854 .03683240 -.0946179 -.0531369 .08733899
.03937555 .18432803 -.0870036 .01972101 -.0549321 .13324176 .36680411 -.7917802
-.0520053 .61882730 -.4782277 .11447061 -.1187524 .38772220 -1.682135 4.4672321
-.0194482 .33452359 -.2674643 .06610483 -.2103352 .51718597 1.8550479 -6.329021
-.0032812 .03489871 .71776818 -.2328959 .72642821 -2.792566 -.4230715 4.6868086
.00012360 .00732322 .55395916 -.2847673 -.1455345 2.5956760 -.4818921 -2.309652
-.0001509 .00081395 .01882248 .75475765 -1.730301 -1.062670 1.5729251 1.1294594
.00011300 -.0005505 -.0100690 .38709902 1.8418573 .19842280 -3.131218 -1.453116
-.0000431 .00020553 .00363279 -.0031977 -.1276545 .45227064 2.2953869 .87970717
* p-functions, max 8 functions can be used.
   12    8
6916.4468 1638.9852 531.31141 201.89326 84.690620 37.740000 17.481012 8.1857285
3.6827596 1.5885619 .63498701 .25399480
.00036542 -.0001364 .00004168 -.0001131 .00016873 -.0003265 .00031811 -.0037219
.00317841 -.0011871 .00040423 -.0009066 .00123231 -.0009443 -.0101301 .02208148
.01726576 -.0065301 .00199444 -.0054282 .00812088 -.0159089 .01540498 -.2012465
.06758790 -.0260566 .00894394 -.0199089 .02710067 -.0199063 -.2447369 .51808113
.19066798 -.0769271 .02323058 -.0652280 .09932074 -.2114986 .31657648 -3.204027
.36022207 -.1532252 .05572170 -.1143222 .14610387 -.0181292 -2.703762 5.5353452
.38135196 -.1678065 .04190615 -.1829809 .39578772 -1.278201 5.6217913 -5.213914
.15455233 .08198239 -.0042004 .17931907 -.6829750 4.0998939 -5.583062 3.4598825
.01339065 .45859667 -.2613015 .64296385 -1.284599 -5.063177 3.6373915 -1.851905
.00117390 .47692707 -.0582488 .19693560 3.0078448 3.7083118 -1.885890 .87235670
-.0000645 .13711820 -.1999761 -1.834568 -2.541049 -1.907242 .81573703 -.3605828
.00007511 .00173292 1.1474226 1.2061966 1.0082345 .62001697 -.2485429 .10878738
* d-functions, max 8 functions can be used.
    9    8
205.67236 61.467979 23.065834 9.5818327 4.1345719 1.7471912 .69928790 .25157190
.10062876
.00234859 -.0031803 .00321031 -.0044512 .00768777 -.0123882 .02793582 -.1276521
.01865181 -.0253925 .02657904 -.0384449 .04587156 -.0119790 .01993754 1.6664776
.07731841 -.1080342 .11285597 -.1649407 .31419388 -.5310989 1.5405471 -2.025469
.20286979 -.2939527 .34537213 -.5467576 .65729323 .08009792 -2.681780 1.5946248
.32943303 -.3792358 .17465275 .30857452 -1.600166 1.1085437 2.5650302 -1.017082
.35469539 .03693332 -.6210662 .85877315 1.1299743 -1.914296 -1.820778 .55529710
.27292675 .52844394 -.2535355 -1.046890 .04881971 2.0192071 1.0964433 -.2702584
.11252993 .35331522 .62916272 .08026821 -.9548519 -1.790234 -.6375325 .12767939
.00657270 .03868395 .31970343 .62933797 .89203165 1.0652408 .29776031 -.0507497
* f-functions, max 4 functions can be used.
    4    4
9.0155206 2.8534053 .90310055 .36124022
.17854304 -.3892248 .70569210 -.8487623
.54595473 -.4988302 -.2535897 1.1727569
.45911172 .49085819 -.7143005 -1.234484
.12087716 .46411602 .95935485 .82550871
************************************************************************
/Ga.ano.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 31
* s-functions, max 9 functions can be used.
   17    9
468114.70 67631.201 19432.178 6630.4155 2423.3602 916.69354 353.63986 138.11156
54.381776 21.535992 8.5641840 3.4163650 1.3661130 .54730400 .21959800 .08821800
.03547600
.00022079 -.0000897 .00003773 -.0000064 .00000618 -.0000089 .00001246 -.0000276 .00007121
.00154746 -.0006308 .00026470 -.0000446 .00004314 -.0000612 .00008551 -.0002164 .00040030
.00542675 -.0022084 .00093325 -.0001583 .00015380 -.0002255 .00031447 -.0006125 .00207606
.01890022 -.0078080 .00328279 -.0005531 .00053339 -.0007455 .00104382 -.0029142 .00399934
.05932955 -.0248455 .01063777 -.0018136 .00176395 -.0026056 .00363303 -.0066483 .02608691
.16352156 -.0730167 .03157877 -.0053650 .00517174 -.0071956 .01009965 -.0293554 .03834300
.34829921 -.1771531 .08152310 -.0142264 .01386369 -.0206552 .02885661 -.0499702 .22425846
.38211826 -.2771064 .13825324 -.0245010 .02355298 -.0318208 .04508171 -.1598820 .10323738
.11468546 -.0234886 .01436526 -.0033179 .00384040 -.0115451 .01460301 .13278987 .27436915
.06495193 .61926406 -.5438207 .11721059 -.1169778 .19020823 -.2763757 .30689188 -3.466216
.04512617 .38402705 -.4708486 .10937769 -.1025222 .09887829 -.1348878 1.2973502 6.4894528
.00149181 .07669963 .66076912 -.2079189 .20155668 -.1941000 .38849527 -5.034836 -6.537414
.00649741 .10164445 .62398982 -.3365071 .41501904 -1.103053 1.7826049 7.1588849 4.8071144
-.0013532 -.0050014 .05014155 -.0705761 -.0252504 1.6711371 -5.251358 -6.261852 -3.009159
.00095943 .00712768 .00394894 .58894520 -1.494390 .76459179 6.5239693 4.1567668 1.6893093
-.0004577 -.0034482 -.0022930 .53553452 .53177227 -3.015909 -4.881800 -2.142554 -.7946416
.00013321 .00101204 .00075265 .07501134 .90211677 1.9819482 1.8788244 .65652686 .23016080
* p-functions, max 9 functions can be used.
   15    9
5732.1665 1398.1126 512.64832 208.14235 88.025151 37.993194 16.590654 7.2976480
3.2255970 1.4305820 .63604600 .28331500 .12637700 .05643600 .02522500
.00057911 -.0002284 .00003467 -.0000404 .00004698 -.0000797 .00009617 -.0001718 .00066062
.00428529 -.0016995 .00025748 -.0003016 .00033496 -.0005111 .00078961 -.0022006 .00170992
.01823950 -.0072906 .00110957 -.0012902 .00151463 -.0026163 .00302861 -.0047955 .02449086
.06902220 -.0282553 .00429907 -.0050360 .00557565 -.0084499 .01315805 -.0376716 .03179009
.19989591 -.0851109 .01306413 -.0151921 .01779035 -.0306442 .03583874 -.0601306 .30286694
.39589766 -.1799119 .02776937 -.0325988 .03573769 -.0532303 .08880631 -.2731917 .12324975
.38296075 -.1658926 .02557201 -.0296282 .03831012 -.0783559 .06353811 .08676636 .64044841
.10873642 .18883889 -.0371203 .04220842 -.0571623 .13597445 -.1024023 -.0948920 -3.399205
.01222073 .51509328 -.0965133 .11747027 -.1098193 .09587670 -.4307189 2.3871336 5.0162471
.00600678 .37921899 -.0881253 .10662841 -.2181548 .74007852 -.4902023 -4.919867 -4.492813
.00119911 .08109375 .01808525 .01406959 .12122910 -1.589916 3.2886137 5.2229166 3.2164151
.00001474 .00270974 .21281776 -.5938427 .99981770 -.2262174 -5.187828 -4.160519 -2.081890
.00003401 .00083907 .42115394 -.2447567 -.1598389 2.6823371 5.0071711 2.8063753 1.2357528
-.0000149 -.0000995 .27732835 -.0678851 -1.794266 -2.938338 -3.275146 -1.501119 -.6143820
.00000477 .00005254 .26049963 .96082458 1.4685561 1.2793972 1.1536802 .47640477 .18902317
* d-functions, max 5 functions can be used.
    9    5
210.95348 64.416542 24.838599 10.152817 4.2479350 1.7981880 .76628000 .32790500
.14070700
.00274777 -.0007102 .00099954 -.0004980 .00573037
.02005518 -.0055172 .00752593 -.0139325 -.0092312
.08194720 -.0212568 .02990993 -.0142288 .16791324
.22593043 -.0632157 .08428069 -.1725195 -.1438169
.35864811 -.0892333 .13548259 .00883847 1.6183935
.35351387 -.1142040 .14663089 -.9990101 -2.762899
.22462318 .00122266 .12003935 2.5384576 2.0547681
.07016622 .21440919 -1.593897 -2.204774 -1.044475
.00717104 .82416296 1.2905789 .88240553 .34535535
************************************************************************
/Ge.ano.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 32
* s-functions, max 9 functions can be used.
   17    9
513412.49 73761.082 21286.892 7313.5506 2694.2426 1027.7591 399.94561 157.58682
62.610202 25.020425 10.041074 4.0424300 1.6314140 .65965700 .26713900 .10831700
.04396500
.00021274 -.0000891 .00003738 -.0000069 .00000689 -.0000098 .00001311 -.0000284 .00007335
.00149785 -.0006291 .00026321 -.0000483 .00004815 -.0000671 .00009148 -.0002257 .00039380
.00518667 -.0021789 .00091737 -.0001694 .00017047 -.0002464 .00032447 -.0006191 .00219270
.01793559 -.0076233 .00319687 -.0005861 .00058174 -.0007971 .00110543 -.0030020 .00356101
.05575969 -.0240726 .01026859 -.0019064 .00192240 -.0028034 .00366244 -.0065299 .02737161
.15358976 -.0701723 .03027958 -.0055975 .00555006 -.0075646 .01057467 -.0299026 .03167021
.33138935 -.1713718 .07853463 -.0149229 .01509347 -.0222144 .02890943 -.0489406 .24043311
.38670503 -.2767466 .13806501 -.0266271 .02626037 -.0347711 .05058462 -.1699974 .07810973
.13150080 -.0691892 .04070418 -.0090577 .01032703 -.0216965 .01900994 .11966418 .44411236
.06697210 .57607044 -.4977814 .11675514 -.1224359 .19889593 -.2560561 .26768042 -3.813091
.05670348 .43267337 -.5499377 .14064258 -.1339712 .13736167 -.2535508 1.5435360 6.8080445
.00218508 .07932641 .57676817 -.1966183 .18918525 -.1663801 .54902406 -5.399346 -6.741385
.00845453 .11463625 .69311897 -.3994604 .53469907 -1.360961 1.6455489 7.5068846 4.9467780
-.0016028 -.0026866 .07070214 -.0810275 -.0966621 2.1644220 -5.173843 -6.622829 -3.115389
.00123170 .00759866 .00377600 .63585475 -1.616477 .17970404 6.6580854 4.4992134 1.7638802
-.0005896 -.0037023 -.0022881 .51485187 .77584644 -2.661944 -5.175544 -2.378357 -.8352332
.00017142 .00109130 .00081059 .06717857 .76941015 1.9184636 2.0581034 .74358512 .24247053
* p-functions, max 9 functions can be used.
   15    9
6550.1287 1597.0202 587.61049 239.63393 101.83075 44.171841 19.387343 8.5720070
3.8086780 1.6980690 .75896100 .33985700 .15240500 .06842100 .03074500
.00051641 -.0002091 .00003896 -.0000398 .00005016 -.0000829 .00010683 -.0001756 .00063372
.00382496 -.0015539 .00028911 -.0002951 .00034871 -.0005278 .00088667 -.0021538 .00169361
.01625153 -.0066657 .00124514 -.0012727 .00162274 -.0027248 .00334978 -.0049945 .02352350
.06183112 -.0258726 .00483566 -.0049350 .00581147 -.0087708 .01495395 -.0371032 .03129356
.18264555 -.0795433 .01499547 -.0153296 .01947153 -.0326791 .04111012 -.0654315 .29641547
.37745110 -.1745840 .03314675 -.0338509 .03943615 -.0591054 .10662969 -.2791694 .16762345
.39889668 -.1840950 .03506720 -.0361082 .05053285 -.0930187 .07749030 .04563320 .61540731
.13374129 .14377698 -.0365182 .03783736 -.0596806 .14002645 -.1149245 -.0147351 -3.416732
.01545132 .50718692 -.1196900 .12466518 -.1199670 .12993582 -.5579859 2.3045028 5.1266029
.00888941 .40994761 -.1170074 .13193191 -.2898014 .76272301 -.1877614 -4.932410 -4.695634
.00114895 .09367184 .01922562 -.0098560 .22457427 -1.842648 2.9181066 5.4685787 3.4055789
.00038766 .00272107 .28509076 -.6274693 1.1651516 .33104368 -5.002185 -4.545392 -2.211800
-.0001729 .00111478 .45927777 -.2694454 -.7951834 2.2360181 5.1187104 3.1723549 1.3145522
.00008695 -.0002032 .28170110 .29989231 -1.193693 -2.935320 -3.548511 -1.748062 -.6545900
-.0000264 .00007636 .12373650 .75042835 1.3329998 1.4374239 1.3250546 .56919614 .20182483
* d-functions, max 5 functions can be used.
    9    5
244.75713 74.716716 29.077452 12.024277 5.0945660 2.1848830 .94354400 .40924100
.17801300
.00246769 -.0006881 .00088233 -.0001465 .00531252 -.0070573
.01837413 -.0054274 .00683743 -.0124389 -.0142438 -.1288538
.07580657 -.0212306 .02719196 -.0038973 .15842184 -.2491612
.21514963 -.0646768 .08108645 -.1677281 -.1419830 -1.277889
.35674050 -.0976800 .13765051 .02124434 1.6782136 2.1259558
.36305155 -.1223176 .16192422 -1.067213 -2.854181 -1.513224
.22611346 -.0067303 .08147838 2.6498465 2.1343097 .87234198
.06369419 .29131270 -1.572030 -2.337200 -1.082384 -.4406138
.00626097 .76129077 1.3368615 .94958524 .35498466 .14552752
************************************************************************
/As.ano.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 33
* s-functions, max 9 functions can be used.
   17    9
566875.27 81319.075 23570.858 8145.6899 3020.1475 1159.8514 454.46921 180.32733
72.153149 29.039871 11.737766 4.7595370 1.9346930 .78795000 .32140800 .13126800
.05366800
.00020296 -.0000861 .00003590 -.0000072 .00000713 -.0000103 .00001317 -.0000292 .00007520
.00142976 -.0006076 .00025278 -.0000503 .00004970 -.0000702 .00009197 -.0002345 .00038299
.00489810 -.0020857 .00087249 -.0001748 .00017498 -.0002566 .00032287 -.0006191 .00229896
.01685274 -.0072370 .00301869 -.0006002 .00058929 -.0008186 .00109277 -.0031013 .00308781
.05201895 -.0227408 .00963277 -.0019393 .00194799 -.0028817 .00359410 -.0063641 .02871590
.14368741 -.0660142 .02831027 -.0056726 .00556040 -.0076834 .01034610 -.0306351 .02558548
.31497391 -.1630407 .07396927 -.0152215 .01534656 -.0229047 .02845364 -.0478022 .25430127
.39217752 -.2734087 .13515051 -.0281971 .02744414 -.0369944 .05187448 -.1818140 .05757096
.15110734 -.1113708 .06434121 -.0149898 .01670189 -.0312064 .02952087 .10689378 .60598964
.06433589 .52958738 -.4432611 .11167210 -.1180579 .19562927 -.2387089 .21951813 -4.128541
.06541718 .48428439 -.6137746 .16948643 -.1591452 .18050605 -.3133723 1.8157045 7.0656387
.00303928 .08238325 .48191430 -.1742474 .15779656 -.1329016 .51190610 -5.766332 -6.874868
.00932769 .12008913 .75698131 -.4547235 .61302239 -1.539666 1.8337359 7.7571145 5.0199110
-.0016440 .00079778 .09672850 -.1026787 -.0909193 2.3732698 -5.398318 -6.760525 -3.164701
.00137255 .00742309 .00303073 .66642773 -1.697669 .01836764 6.8845047 4.5743538 1.7956501
-.0006586 -.0036375 -.0019214 .50801138 .85494505 -2.586834 -5.373312 -2.410163 -.8502654
.00019134 .00107870 .00076999 .06456990 .73810089 1.9067495 2.1489474 .74939609 .24592800
* p-functions, max 9 functions can be used.
   15    9
7323.1673 1790.4187 661.74735 271.20663 115.83947 50.511115 22.286680 9.9062400
4.4249560 1.9833750 .89122700 .40122500 .18089000 .08164600 .03688500
.00047561 -.0001969 .00004141 -.0000353 .00005512 -.0000823 .00010704 -.0001711 .00062027
.00350535 -.0014538 .00030506 -.0002602 .00038004 -.0005170 .00088352 -.0021478 .00175953
.01483336 -.0062188 .00131171 -.0011169 .00176842 -.0026858 .00333244 -.0047620 .02293946
.05650420 -.0241014 .00508090 -.0043349 .00631422 -.0085671 .01486946 -.0369509 .03205212
.16920752 -.0751389 .01600063 -.0136323 .02151037 -.0326318 .04163625 -.0645643 .29379335
.36091932 -.1696334 .03635452 -.0310466 .04487526 -.0606250 .11035992 -.2875883 .19939782
.40886256 -.1967608 .04258706 -.0363561 .06198377 -.1016352 .09155739 .02681609 .61869524
.15600183 .10585183 -.0326435 .02789112 -.0594246 .13085313 -.1075601 -.0268929 -3.467027
.01881103 .49687654 -.1343777 .11825328 -.1462134 .15145529 -.5924368 2.3862710 5.2063666
.01114795 .43564024 -.1427463 .12608235 -.3280358 .74920079 -.1936158 -5.055586 -4.799614
.00118334 .10502834 .02398513 .00601399 .31169970 -1.809454 2.9827634 5.6307125 3.5027558
.00068037 .00292970 .32948097 -.5898859 1.1122965 .29029826 -5.122157 -4.693649 -2.283633
-.0003361 .00124841 .46992299 -.2309490 -.7533416 2.3248403 5.2233660 3.2656687 1.3594583
.00016669 -.0002971 .24735085 .21176561 -1.225132 -3.049746 -3.575774 -1.788236 -.6760427
-.0000506 .00010210 .09755815 .84012370 1.3006783 1.4897966 1.3083317 .57746485 .20747854
* d-functions, max 5 functions can be used.
    9    5
278.75717 85.080781 33.354708 13.920758 5.9571790 2.5813950 1.1266120 .49389700
.21716600
.00227463 -.0006527 .00080643 -.0001523 .00450086 -.0078785
.01718587 -.0052431 .00621466 .01168293 -.0281167 -.1283008
.07146928 -.0206010 .02535561 -.0055750 .13253628 -.2935871
.20721457 -.0643699 .07654012 .16569917 -.2518101 -1.236484
.35522274 -.1011768 .14152051 -.0481477 1.9057503 1.9831371
.37056225 -.1285510 .16177215 1.1566617 -3.042983 -1.309245
.22623647 -.0062769 .08719676 -2.765523 2.2441450 .73933539
.05860114 .31876083 -1.591518 2.4366394 -1.126087 -.3813205
.00565757 .73696154 1.3710081 -.9886865 .36478009 .12645827
************************************************************************
/Se.ano.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 34
* s-functions, max 9 functions can be used.
   17    9
637874.92 91490.641 26605.146 9231.9107 3438.0510 1326.4181 522.17790 208.17940
83.697244 33.848737 13.747827 5.6017130 2.2881310 .93644900 .38385100 .15753900
.06472400
.00018882 -.0000801 .00003419 -.0000072 .00000723 -.0000103 .00001286 -.0000288 .00007549
.00132965 -.0005639 .00024053 -.0000503 .00005026 -.0000700 .00008953 -.0002366 .00036104
.00452045 -.0019246 .00082448 -.0001734 .00017630 -.0002574 .00031327 -.0005868 .00236907
.01552050 -.0066407 .00284071 -.0005929 .00058835 -.0008008 .00105005 -.0031515 .00252029
.04772364 -.0208343 .00902806 -.0019078 .00194811 -.0028773 .00346174 -.0058535 .02976037
.13279545 -.0604779 .02655236 -.0055837 .00552852 -.0074715 .00990002 -.0311152 .01911273
.29716981 -.1517558 .07006436 -.0151195 .01550198 -.0231292 .02769523 -.0440879 .26595174
.39748417 -.2658221 .13353925 -.0292177 .02870609 -.0377239 .05227135 -.1944328 .03549544
.17555713 -.1512220 .08784713 -.0211144 .02352690 -.0426101 .04111412 .09958489 .78784739
.05997324 .46913668 -.3870324 .10201723 -.1108950 .18925596 -.2186034 .12329592 -4.444099
.07183478 .52959690 -.6716629 .19527902 -.1860298 .20625013 -.3596443 2.1628680 7.2577619
.00495131 .09603793 .37050889 -.1402875 .11880554 -.0423052 .42920309 -6.159812 -6.891129
.01004534 .13054938 .81432645 -.5022126 .68778065 -1.785559 2.0623290 7.9561124 4.9672823
-.0013835 .00744523 .13041495 -.1377540 -.0297808 2.6585060 -5.608197 -6.806137 -3.112262
.00139077 .00654469 .00138303 .68723577 -1.893968 -.2495293 7.0519882 4.5736313 1.7610486
-.0006690 -.0032304 -.0009980 .51121109 1.0578148 -2.428700 -5.543554 -2.409664 -.8325152
.00019467 .00097237 .00058130 .06532659 .63813946 1.8785922 2.2523835 .75170886 .24030778
* p-functions, max 9 functions can be used.
   15    9
7790.4874 1893.8898 699.84320 287.15130 122.85884 53.677817 23.734450 10.573309
4.7337750 2.1267660 .95793100 .43229000 .19536700 .08839500 .04003200
.00047837 -.0002023 .00004609 -.0000412 .00006195 -.0000873 .00010351 -.0001808 .00061290
.00355210 -.0015066 .00034254 -.0003035 .00042320 -.0005889 .00098811 -.0020755 .00185493
.01499333 -.0064230 .00146731 -.0013159 .00200581 -.0028385 .00313297 -.0052374 .02263498
.05698847 -.0248688 .00568317 -.0050351 .00700022 -.0097572 .01666504 -.0356304 .03383248
.17009632 -.0772301 .01782843 -.0159944 .02432341 -.0345786 .03965308 -.0701478 .29358729
.36157488 -.1740647 .04050566 -.0358667 .04945329 -.0694970 .12482230 -.2740769 .19916494
.40674565 -.1993315 .04675968 -.0425682 .07028038 -.1001171 .06257507 -.0005406 .59700248
.15444419 .11130409 -.0377806 .03623511 -.0760964 .13139694 -.0550778 .08521535 -3.459780
.02039281 .50774628 -.1522181 .13523393 -.1571643 .22966618 -.8067084 2.1717823 5.2927012
.01217451 .43120270 -.1588055 .16037590 -.4020852 .67189120 .39000700 -4.944971 -4.985817
.00122290 .09181134 .06112624 -.0581503 .59657475 -2.160479 2.1697800 5.8076656 3.7297292
.00065403 .00322654 .38248280 -.7034807 .99292677 1.2915893 -4.584484 -5.091827 -2.494525
-.0003288 .00052451 .44832622 -.1331885 -1.311529 1.2780942 5.2287188 3.7130154 1.5210582
.00016448 .00013820 .22023622 .49150229 -.5078256 -2.618768 -3.915287 -2.123128 -.7718888
-.0000497 -.0000044 .06966540 .58755181 1.0878463 1.5201151 1.5447538 .71166253 .24054735
* d-functions, max 5 functions can be used.
    9    5
312.31838 95.343880 37.615411 15.822796 6.8287060 2.9851250 1.3145250 .58151900
.25803900
.00214681 -.0006207 .00075575 -.0002603 .00424329 -.0078479
.01637689 -.0050536 .00597593 .01149165 -.0316233 -.1274727
.06847314 -.0198849 .02404817 -.0092188 .12566140 -.2889051
.20154100 -.0632819 .07559616 .16744915 -.2649231 -1.265358
.35423312 -.1024328 .14235402 -.0521348 1.9669917 2.0220875
.37643562 -.1316098 .17475581 1.1859302 -3.137560 -1.345663
.22515194 -.0057840 .06791035 -2.832017 2.3410962 .76410341
.05416647 .32719966 -1.591202 2.5186069 -1.185593 -.3943943
.00521300 .72936780 1.3845305 -1.028302 .38432729 .13020066
************************************************************************
/Br.ano.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 35
* s-functions, max 9 functions can be used.
   17    9
726398.09 104397.37 30433.462 10587.659 3953.3311 1529.2687 603.64283 241.30208
97.274404 39.445336 16.064020 6.5630990 2.6880510 1.1030880 .45337500 .18657500
.07686000
.00017178 -.0000745 .00003235 -.0000070 .00000715 -.0000099 .00001250 -.0000280 .00007465
.00120695 -.0005231 .00022699 -.0000486 .00004950 -.0000662 .00008626 -.0002351 .00033662
.00408286 -.0017798 .00077451 -.0001670 .00017333 -.0002464 .00030383 -.0005480 .00239109
.01402132 -.0061212 .00266440 -.0005703 .00057515 -.0007460 .00100033 -.0031636 .00202747
.04306166 -.0192128 .00845045 -.0018305 .00190960 -.0027544 .00335409 -.0053220 .03021038
.12106007 -.0558994 .02495022 -.0053803 .00541264 -.0069555 .00943369 -.0313810 .01389412
.27702660 -.1424688 .06655876 -.0147186 .01541925 -.0224916 .02726831 -.0404392 .27310803
.39766198 -.2598491 .13230398 -.0297070 .02965814 -.0369315 .05238938 -.2059670 .02437234
.20124051 -.1876112 .10968715 -.0267983 .03011788 -.0525205 .05422871 .08970384 .94485222
.06111923 .40046534 -.3296791 .08931551 -.1004945 .17473534 -.2021210 .02604439 -4.696051
.08253896 .56436765 -.7175227 .21571073 -.2100857 .21859267 -.3915908 2.4907667 7.3584269
.00897909 .11656019 .24962720 -.0983141 .07186230 .06952823 .30445916 -6.483602 -6.828337
.01154817 .14288156 .86077452 -.5401008 .75535126 -1.974930 2.3618800 8.0518936 4.8618486
-.0007071 .01737558 .16991921 -.1813165 .04288634 2.7748771 -5.871548 -6.748147 -3.026917
.00132443 .00488550 -.0009038 .70032290 -2.071636 -.3066606 7.1868256 4.4906056 1.7067841
-.0006391 -.0024274 .00040351 .52055942 1.2200300 -2.416982 -5.613372 -2.359195 -.8049559
.00018715 .00075578 .00025571 .06829549 .55775136 1.8979116 2.2896328 .73688996 .23186565
* p-functions, max 9 functions can be used.
   15    9
8403.9531 2045.4876 758.03053 312.04749 133.97148 58.739849 26.065724 11.653786
5.2364600 2.3611850 1.0674040 .48345700 .21929300 .09958500 .04526500
.00046552 -.0002019 .00004878 -.0000471 .00006567 -.0000948 .00009808 -.0001847 .00061209
.00344657 -.0014988 .00036154 -.0003426 .00043866 -.0006663 .00105671 -.0020133 .00185793
.01448760 -.0063627 .00154208 -.0014963 .00212041 -.0030387 .00283882 -.0053883 .02244420
.05497741 -.0245837 .00596297 -.0056479 .00720896 -.0110089 .01782377 -.0344011 .03364321
.16467531 -.0765807 .01877038 -.0182200 .02576808 -.0372889 .03681488 -.0726888 .29569803
.35401911 -.1744477 .04315088 -.0408242 .05168330 -.0803868 .13648227 -.2665294 .19718748
.40889330 -.2065083 .05155680 -.0512209 .07849861 -.1068504 .04128120 -.0279251 .61841056
.16390226 .09642479 -.0367497 .04076137 -.0833837 .12944724 .00040876 .15055815 -3.513321
.02387166 .50763697 -.1651611 .15468719 -.1617296 .31791600 -1.001147 2.0530371 5.4005450
.01450093 .44024688 -.1757596 .20456982 -.4603510 .62110311 .91873232 -4.876015 -5.151123
.00145392 .09105334 .08337046 -.1413285 .79636922 -2.504650 1.3438470 5.9431241 3.9197069
.00077524 .00385376 .40615221 -.7753680 .83943767 2.2167830 -3.913516 -5.441049 -2.677040
-.0003901 .00039586 .43618749 .00839657 -1.577329 .19657112 5.0720542 4.1631221 1.6724870
.00019884 .00040310 .20984350 .57202129 -.0575172 -1.966279 -4.166387 -2.500616 -.8698927
-.0000594 -.0000474 .05198536 .45567604 .93186903 1.3686334 1.7672018 .87586212 .27671479
* d-functions, max 5 functions can be used.
    9    5
346.90938 105.80051 41.951391 17.762403 7.7206840 3.4002370 1.5087570 .67261300
.30079300
.00204694 -.0005985 .00070312 -.0003282 .00392103 -.0084081
.01576190 -.0049319 .00586860 .01114682 -.0347592 -.1314740
.06621436 -.0194409 .02262035 -.0118131 .11538079 -.2868032
.19722095 -.0627117 .07575085 .16516036 -.2835994 -1.280972
.35363595 -.1040900 .14022494 -.0493016 2.0338858 2.0338805
.38126361 -.1346464 .19577494 1.2016808 -3.233039 -1.349843
.22345427 -.0051688 .03124856 -2.885191 2.4384676 .76818675
.05042297 .33992578 -1.572874 2.5971846 -1.248180 -.3980908
.00490447 .71786505 1.3919646 -1.070199 .40626142 .13105677
************************************************************************
/Kr.ano.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark and B. O. Roos
Theor. Chim. Acta, 90, 87 (1995)
************************************************************************
a 36
* s-functions, max 9 functions can be used.
   17    9
828278.58 119486.50 34893.668 12154.742 4543.3212 1759.2007 695.03767 278.08060
112.19649 45.534467 18.559125 7.5886930 3.1106230 1.2775240 .52549000 .21642400
.08922700
.00016368 -.0000207 .00005157 -.0000066 .00000746 -.0000111 .00001165 -.0000263 .00007297
.00114565 -.0001446 .00036009 -.0000463 .00005127 -.0000737 .00008325 -.0002265 .00031173
.00386708 -.0004922 .00122720 -.0001585 .00018043 -.0002780 .00027160 -.0004918 .00237349
.01330395 -.0016956 .00421476 -.0005416 .00059255 -.0008235 .00099645 -.0030960 .00162225
.04094842 -.0053860 .01338546 -.0017372 .00199156 -.0031172 .00294375 -.0046435 .03017029
.11662683 -.0160777 .03959590 -.0051388 .00560256 -.0077105 .00956298 -.0309429 .00994192
.27448613 -.0438391 .10654618 -.0142010 .01635990 -.0259001 .02413900 -.0357018 .27545891
.42659945 -.0927141 .21598919 -.0298123 .03220218 -.0430849 .05823191 -.2123690 .02107461
.25395001 -.0936948 .20168215 -.0314683 .03901534 -.0719735 .04592242 .08246608 1.0722886
.01510395 .21882300 -.3801764 .07635148 -.0974852 .19193614 -.1404894 -.0698972 -4.879057
.00444893 .64290167 -.7061218 .22966244 -.2405455 .27436635 -.5595492 2.7309818 7.3858936
-.0030649 -.1564945 -.1164568 -.0556685 .01389379 .19033797 .70802380 -6.674548 -6.721696
.00193013 -.9066316 -.0090794 -.5696065 .91203266 -2.711691 1.4740105 8.1651645 4.7385632
-.0012125 -.2103254 .00518870 -.2205817 .03623454 4.3134084 -4.695989 -6.954238 -2.936823
.00069205 .00256219 -.0033875 .70436869 -2.388955 -2.322304 6.5122712 4.8391673 1.6526877
-.0003258 -.0017257 .00173567 .53679099 1.7213985 -.8183267 -5.796187 -2.729954 -.7787440
.00009346 .00003381 -.0005007 .06727018 .25249436 1.3156001 2.6614035 .92793488 .22425306
* p-functions, max 9 functions can be used.
   15    9
9103.6167 2215.5032 823.06485 339.87683 146.41291 64.420244 28.688908 12.873187
5.8055730 2.6274530 1.1921700 .54197100 .24675000 .11247100 .05131300
.00018517 -.0004548 .00005042 -.0000654 .00009576 -.0001056 .00018982 -.0002032 .00057019 -.0003222
.00137364 -.0033642 .00037339 -.0004615 .00063562 -.0011179 .00198719 -.0004755 .00203602 -.0120347
.00581482 -.0140931 .00158673 -.0020783 .00308746 -.0030509 .00556866 -.0075883 .02059070 -.0033094
.02245674 -.0534316 .00612764 -.0075635 .01040898 -.0187665 .03381273 -.0078892 .03650276 -.2516737
.07043453 -.1608655 .01937199 -.0253700 .03782157 -.0396877 .07570473 -.0975568 .28014415 -.2098193
.16304142 -.3506372 .04512596 -.0555208 .07671838 -.1452606 .26529044 -.0469811 .22043009 -1.318098
.20081644 -.4176200 .05607006 -.0769284 .11946800 -.0567708 .05481192 -.2920467 .51055334 4.1333146
-.0840476 -.1722787 -.0339193 .06029607 -.1345870 -.0037135 -.1998228 1.1593752 -3.293388 -5.276494
-.5057439 -.0118084 -.1758065 .20445935 -.2637426 1.0638131 -1.990245 -1.322914 5.2784224 4.5762422
-.4518833 -.0027694 -.1919134 .34813970 -.7387032 -.8458073 4.7778094 .52394527 -5.327461 -3.278877
-.0926484 .00116378 .09908986 -.3881770 2.2490493 -1.646928 -5.734468 .73071310 4.4433960 2.1746372
-.0040561 -.0007749 .42383784 -1.056138 -1.171065 3.9847933 4.9221639 -2.197181 -3.557058 -1.412122
.00019516 .00045540 .43377597 .61384022 -1.082472 -4.097223 -3.107128 3.6785331 2.8764761 .89428786
-.0003804 -.0002205 .20497249 .57201893 1.1988153 2.0408293 1.0663166 -4.210618 -2.113133 -.5032793
.00012387 .00006633 .02203791 .07340049 .02404730 -.1230447 .06125542 2.4641837 .96416896 .18250016
* d-functions, max 5 functions can be used.
    9    5
381.23678 116.40438 46.386968 19.757668 8.6425240 3.8311410 1.7112760 .76802800
.34578900
.00197587 -.0005867 .00064405 -.0003806 .00317842 -.0095626
.01527563 -.0048587 .00590293 .01054552 -.0442604 -.1392977
.06439629 -.0191960 .02079822 -.0140309 .08823185 -.2819499
.19365384 -.0624970 .07747959 .15811294 -.3635866 -1.283041
.35312903 -.1062830 .13452117 -.0402764 2.1948696 1.9348975
.38531613 -.1379383 .23191253 1.2054052 -3.385155 -1.180981
.22161224 -.0043564 -.0359968 -2.927204 2.5666273 .64377523
.04752303 .35553905 -1.525184 2.6801456 -1.330047 -.3365297
.00473164 .70354187 1.3879880 -1.120700 .43631405 .11061152

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