/usr/share/mpqc/3.0.0-alpha/basis/ano-pv5z.kv is in mpqc3-data 0.0~git20160216-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 | basis:(
%
% ANO basis sets from atomic MR-ACPF based on cc-pV6Z primitives
%
% H-Al: Neese, F.; Valeev, E.F J. Chem. Theo. Comp., 2010, submitted for publication
%
%
hydrogen: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3} = {
402.0099000000 -0.0004429508 -0.0005857917 -0.0006083150 0.0005081779
60.2419600000 -0.0032507467 -0.0020963443 -0.0052483500 -0.0291166591
13.7321700000 -0.0181152250 -0.0304299021 -0.0254171128 0.0765649809
3.9045050000 -0.0636329998 -0.0288272025 -0.2376406403 -1.9672179407
1.2827090000 -0.2221636410 -0.7526945634 -1.7096583473 2.5936642480
0.4655440000 -0.4041047831 -0.5303060000 2.6789654303 -0.9960913706
0.1811200000 -0.3481081094 0.9524676196 -1.0333863147 -0.7436908584
0.0727910000 -0.0927213251 0.1944104297 -0.2486237019 0.8091653399
})
(type: [ am = p am = p am = p ]
{exp coef:0 coef:1 coef:2} = {
9.8800000000 0.0055312240 -0.0280600947 0.0056398914
3.9500000000 0.0053232428 0.0343704220 -0.4139613850
1.5800000000 0.1503847471 -0.8940158660 -1.1690682660
0.6300000000 0.5829443939 -0.2472687692 2.0680572903
0.2500000000 0.3399470552 0.8487826893 -1.1105921331
0.1000000000 0.0317494051 0.0228203559 -0.0342741151
})
(type: [ (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1} = {
4.0000000000 0.0022011030 -0.0539561869
1.6000000000 -0.2782524806 -1.0523827075
0.6400000000 -0.6650428296 0.3444118921
0.2600000000 -0.1748476192 0.5130523143
})
(type: [ (am = f puream = 1) ]
{exp coef:0} = {
2.5000000000 -0.1131989913
1.0000000000 -0.7240256973
0.4000000000 -0.2878620704
})
]
helium: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
4785.0000000000 0.0000603202 0.0000888731 0.0001287054 -0.0002489594 0.0004237291
717.0000000000 0.0004684960 0.0006940214 0.0011477678 -0.0007030487 -0.0000296884
163.2000000000 0.0024501467 0.0036433971 0.0050983801 -0.0137663097 0.0274003498
46.2600000000 0.0101553835 0.0157462582 0.0306322873 -0.0185762765 0.0215248184
15.1000000000 0.0350340333 0.0614009646 0.1396159611 -0.5945112059 1.8146668459
5.4370000000 0.0992797341 0.2414755099 0.8577184034 -0.9840908081 -3.0979611106
2.0880000000 0.2173871303 0.6119641323 0.0948064849 3.1172766756 1.8163549899
0.8297000000 0.3472682167 0.1961329442 -1.7250507963 -2.4240004919 0.8573834262
0.3366000000 0.3445578174 -0.7241642195 0.6542597771 0.0021405025 -2.4327185306
0.1369000000 0.1180260053 -0.3382814814 0.5294200911 0.7707466645 1.5016822154
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
0.3870000000 0.2887442887 -0.6544173279 1.0892573312 -1.2720283227
0.9840000000 0.5361342449 -0.2752308724 -1.0748098626 2.4864927160
2.4980000000 0.2659020077 0.7993083208 -0.4123134143 -2.2892667003
6.3420000000 0.0400702083 0.2671653126 0.9713673990 0.7039561237
16.1040000000 0.0090385832 0.0310059145 0.1050392237 0.5386846176
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
0.7470000000 0.4658429191 -0.8956231766 1.0224239611
1.9100000000 0.5373435960 0.3730222552 -1.6203220362
4.8860000000 0.1309421923 0.6577819063 0.8765420767
12.4980000000 0.0071350958 0.0498873120 0.3815063612
})
(type: [ (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1} = {
1.2920000000 0.6769633751 -0.9286561151
3.4620000000 0.4253291849 0.8946330462
9.2760000000 0.0278376149 0.2965461761
})
(type: [ (am = g puream = 1) ]
{exp coef:0} = {
2.2360000000 0.8827574696
6.5860000000 0.2134530687
})
]
lithium: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
70681.0000000000 0.0000053236 0.0000008577 0.0000080423 0.0000113754 0.0000133726 -0.0000209168
13594.0000000000 0.0000323747 0.0000052160 0.0000490032 0.0000711224 0.0000756946 -0.0000571933
3100.4000000000 0.0001879603 0.0000302866 0.0002842400 0.0004007287 0.0004841401 -0.0008459870
826.4600000000 0.0008712219 0.0001404588 0.0013265029 0.0019573837 0.0020812427 -0.0013052049
253.7600000000 0.0033836700 0.0005463525 0.0052097294 0.0076139906 0.0100559267 -0.0202280140
88.4510000000 0.0110494789 0.0017918661 0.0179882238 0.0317360413 0.0433918007 -0.0456523704
34.4930000000 0.0305955979 0.0050120074 0.0571974540 0.1342152644 0.3064786070 -0.7994118554
14.8310000000 0.0707341149 0.0118375809 0.1782581630 0.5842277718 1.0575659060 -0.7272323579
6.9299000000 0.1345557163 0.0233643106 0.4298970134 0.6806090172 -1.0991833942 4.0200032056
3.4678000000 0.2069615916 0.0381867406 0.4508658275 -1.0050986104 -1.6674164866 -3.1561321027
1.8316000000 0.2591085719 0.0536789047 -0.0371352880 -0.9446701880 1.4917681732 -1.5669083716
1.0063000000 0.2468661567 0.0683347487 -0.4872120993 0.0956130540 1.0852292354 2.1790360368
0.5667800000 0.1501162290 0.0749471861 -0.4627668553 0.6974621916 0.1520570200 1.8166726240
0.3225400000 0.0448272557 0.0592482250 -0.1601289845 0.3954658405 -1.5061905620 -2.1618556567
0.1827700000 0.0035755287 -0.0260749945 -0.0116236967 0.0714809958 -0.0611003405 -0.2259841853
0.1016400000 0.0003154609 -0.2220432444 0.0661103743 -0.0818978750 -0.0181349175 -0.0660830351
0.0546660000 0.0005366220 -0.4734515860 0.1351321962 -0.1598815920 0.3021729801 0.3161466055
0.0280250000 0.0004574244 -0.3620754465 0.1047064237 -0.1282750162 0.1814749968 0.1954713356
0.0134970000 0.0000471593 -0.0407343934 0.0116751457 -0.0141083238 0.0273741137 0.0326628905
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
28.5000000000 0.0189870192 0.0274718905 0.1124612751 0.3162589471
6.6400000000 0.3141072757 0.3090978049 0.8015336710 0.6995794345
1.9200000000 0.6617276623 0.3225036171 -0.3594255253 -1.8642834564
0.7700000000 0.0886066288 -0.3787691725 -0.7531033562 1.8134722403
0.3200000000 0.1156570486 -0.4329780841 0.3499336264 -0.2765585174
0.1500000000 -0.0647171322 -0.2896095144 0.3670521392 -0.2623297591
0.0660000000 0.0269408101 -0.1054598002 0.1710991422 -0.2974715581
0.0250000000 -0.0074775714 -0.0091887916 0.0076593782 0.0140593580
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
1.7500000000 1.0034973970 0.3248607412 0.1292421674
0.3000000000 -0.0174235563 -1.1437947196 -0.8118034632
0.1100000000 0.0214475965 0.1481400090 1.3345483126
})
(type: [ (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1} = {
0.5000000000 1.1218345283 0.6415315311
0.2000000000 -0.2141749513 -1.2744428212
})
(type: [ (am = g puream = 1) ]
{exp coef:0} = {
0.5500000000 1.0000000000
})
]
beryllium: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
139330.0000000000 0.0000048137 0.0000008966 -0.0000013388 -0.0000023477 0.0000037276 -0.0000051278
26774.0000000000 0.0000292950 0.0000054566 -0.0000081449 -0.0000141798 0.0000236440 -0.0000338900
6112.0000000000 0.0001696534 0.0000316042 -0.0000472010 -0.0000829446 0.0001301583 -0.0001772468
1632.9000000000 0.0007837988 0.0001460945 -0.0002181144 -0.0003795818 0.0006406107 -0.0009282333
503.0300000000 0.0030296604 0.0005655948 -0.0008456379 -0.0014952726 0.0023250026 -0.0031554392
176.0300000000 0.0098688962 0.0018504976 -0.0027700998 -0.0048605475 0.0086388333 -0.0132523782
68.9390000000 0.0273158639 0.0051738207 -0.0078018669 -0.0144204026 0.0234898313 -0.0356672415
29.7680000000 0.0638839975 0.0123588076 -0.0188623345 -0.0359876745 0.0814968762 -0.1609112603
13.9630000000 0.1244755331 0.0250209252 -0.0393045895 -0.0871441173 0.1680416821 -0.2911917478
7.0090000000 0.1997945143 0.0429921324 -0.0686639537 -0.1382935381 0.3377403999 -0.4600993341
3.7094000000 0.2603024986 0.0640053839 -0.1016445025 -0.1829728831 -0.1638669536 1.0328625887
2.0392000000 0.2561166821 0.0837309282 -0.1297877375 -0.0817135288 0.8274445094 -3.5414757242
1.1472000000 0.1602238386 0.0886004427 -0.1780941635 -0.7363775005 -0.6558509371 11.8030339735
0.6507000000 0.0479172446 0.0453339368 -0.0475153109 1.7380426984 -5.1807336336 -15.8742871237
0.3665900000 0.0040519380 -0.0774503499 0.7220485366 1.6466592777 8.1394228171 7.6224133390
0.2021100000 0.0000553253 -0.2769575079 0.9937821087 -2.5871369088 -2.4710505273 3.2819422486
0.1074200000 -0.0000146329 -0.4532396096 -0.3707388758 -0.8177852807 -2.5089872856 -5.7358032246
0.0542310000 0.0000054228 -0.3011584730 -0.9022620370 1.2514210442 1.4779107748 2.1040068560
0.0256190000 0.0000000000 -0.0331442139 -0.1163652246 0.1967978149 0.2506885901 0.1687443682
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
45.7000000000 0.0005598577 0.0008862347 -0.0037643606 0.0051849587
10.6000000000 0.0049230936 0.0306619409 -0.0302839676 -0.0694753561
3.0800000000 0.0198821499 0.0319215308 -0.1481770846 0.4880981140
1.2300000000 0.0394518210 0.6318969865 -0.6822660906 0.9131865156
0.5100000000 0.1630602437 -0.7695651726 3.0328798318 -0.7282295666
0.2300000000 0.4111578133 -1.1409907121 -3.3641540334 0.2856093748
0.1060000000 0.4429347544 1.4919251865 1.1669505204 -0.0564985894
0.0400000000 0.0688676460 0.0091265087 0.2854324028 -0.3237785263
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
3.3500000000 0.0250099508 0.2122506454 1.0398507505
0.5700000000 -0.0916355551 -1.3900846285 -0.1857136444
0.2100000000 -0.9394094692 0.9631553812 0.0583070475
})
(type: [ (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1} = {
0.7500000000 0.0343035433 1.2918586150
0.3000000000 0.9779189866 -0.8448371854
})
(type: [ (am = g puream = 1) ]
{exp coef:0} = {
0.8000000000 1.0000000000
})
]
boron: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
210400.0000000000 0.0000058419 0.0000011280 -0.0000015351 -0.0000021841 -0.0000034313 -0.0000036753
31500.0000000000 0.0000454146 0.0000087607 -0.0000119591 -0.0000156486 -0.0000165650 -0.0000356254
7169.0000000000 0.0002389029 0.0000461618 -0.0000627416 -0.0000925055 -0.0001642701 -0.0001339592
2030.0000000000 0.0010079000 0.0001945321 -0.0002659788 -0.0003342419 -0.0002650448 -0.0008667998
662.5000000000 0.0036529523 0.0007082580 -0.0009617749 -0.0014757077 -0.0029385495 -0.0018094999
239.2000000000 0.0117622375 0.0022868566 -0.0031373676 -0.0037751752 -0.0018059957 -0.0115654349
93.2600000000 0.0338828343 0.0067020510 -0.0091280070 -0.0148890871 -0.0338745619 -0.0175463280
38.6400000000 0.0857657026 0.0174065585 -0.0242286332 -0.0286407849 -0.0064035646 -0.1249642381
16.7800000000 0.1830564860 0.0397538712 -0.0553385063 -0.1044732073 -0.2872664522 -0.1471585281
7.5410000000 0.3066666848 0.0754768239 -0.1084827858 -0.1095604096 0.1881005838 -0.4530702707
3.4820000000 0.3420305417 0.1190307837 -0.1748472341 -0.4185836888 -1.4944364811 -0.5434071167
1.6180000000 0.1767395801 0.1092470410 -0.1931910158 0.1397561796 2.8349011974 4.2335247737
0.6270000000 0.0161871420 -0.1137525839 0.7386485838 2.4048770835 -0.5146516720 -8.3448176958
0.2934000000 -0.0072524426 -0.4401365807 0.9645338675 -2.2319225539 -3.4466118722 9.5853054683
0.1310000000 -0.0045661166 -0.4644885380 -0.8678854847 -0.8640371769 4.8050158396 -6.4542764763
0.0581500000 -0.0017393129 -0.1275880120 -0.5839131756 1.4552578987 -2.3584382381 2.2622350603
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
192.5000000000 0.0001348580 0.0001038119 0.0003902960 0.0010432059 -0.0004745444
45.6400000000 0.0011483171 0.0010029799 0.0035872388 0.0044632512 -0.0125079161
14.7500000000 0.0058428161 0.0044027503 0.0181614638 0.0536397550 -0.0322660121
5.5030000000 0.0210758283 0.0159590908 0.0780319375 0.1261613927 -0.3228209435
2.2220000000 0.0611960100 0.0140866372 0.2455412103 0.9883454010 -1.2009482498
0.9590000000 0.1530710758 0.2036025057 0.8296400722 -0.3582380255 3.4493678505
0.4314000000 0.2943241620 0.6405610720 -0.2884445870 -1.6849406258 -3.8503887841
0.1969000000 0.3642704356 0.0138043328 -1.1575765444 2.1153985181 1.9924574009
0.0903300000 0.2585309237 -0.7239551491 0.5478083327 -0.6270340821 0.2158482623
0.0406600000 0.0717053089 -0.2861547514 0.3678908853 -0.3782393192 -0.7195314073
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
2.8860000000 0.0124864080 -0.0449367119 0.0239872609 0.5114007942
1.2670000000 0.0646166325 0.2536987512 1.0910574583 0.6936173357
0.5560000000 0.3523640343 0.8659247615 -0.5441996671 -2.0711740047
0.2440000000 0.4918272179 -0.4512434011 -0.8762087198 2.3187251759
0.1070000000 0.2485231797 -0.5802493218 0.9725242151 -1.2837434837
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
1.6510000000 0.0261389620 0.0986227066 0.8586208597
0.8002000000 0.3045935590 0.9671825673 0.0325467975
0.3878000000 0.4978105649 -0.3135328458 -1.3776501444
0.1880000000 0.3215186188 -0.6475087045 1.1589533737
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
1.6469000000 0.0446231359 0.4031538746
0.7889000000 0.5027625427 0.8256684228
0.3779000000 0.5581657018 -1.0631117568
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
1.3120000000 0.3025265529
0.5806000000 0.7909350174
})
]
carbon: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
312100.0000000000 0.0000056888 0.0000011517 0.0000014615 -0.0000020729 -0.0000031477 -0.0000032996
46740.0000000000 0.0000442122 0.0000089401 0.0000113996 -0.0000152244 -0.0000156663 -0.0000334194
10640.0000000000 0.0002324717 0.0000471067 0.0000596491 -0.0000868378 -0.0001494472 -0.0001167391
3013.0000000000 0.0009813983 0.0001985305 0.0002537561 -0.0003294248 -0.0002585570 -0.0008243816
982.8000000000 0.0035604858 0.0007241159 0.0009151876 -0.0013722962 -0.0026575875 -0.0015100218
354.8000000000 0.0114692478 0.0023373031 0.0029997075 -0.0037795404 -0.0018759069 -0.0110709337
138.4000000000 0.0330825487 0.0068692727 0.0086902270 -0.0136469384 -0.0302307890 -0.0132108973
57.3500000000 0.0842739202 0.0179514067 0.0233513200 -0.0290748718 -0.0061619247 -0.1142804976
24.9200000000 0.1811835207 0.0414871653 0.0532963047 -0.0939954201 -0.2520314519 -0.1034115598
11.2300000000 0.3058726609 0.0795916232 0.1071421338 -0.1270398885 0.1288034970 -0.5615180443
5.2010000000 0.3428996624 0.1258249776 0.1715711640 -0.3903688653 -1.4325407433 -0.5737863671
2.4260000000 0.1785203122 0.1068228241 0.1810506143 0.0967690209 2.6528636797 4.5498793600
0.9673000000 0.0174929057 -0.1286390810 -0.6618969705 2.1831711797 -0.0348171778 -8.4613019809
0.4456000000 -0.0069381856 -0.4398665406 -0.9413749900 -1.6380587319 -3.9353705417 9.2208285366
0.1971000000 -0.0045895926 -0.4462025705 0.6896636760 -1.3661318212 4.9042834374 -6.0035420841
0.0863500000 -0.0017787010 -0.1396137797 0.7079116403 1.6011180083 -2.2872025967 2.0430806823
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
295.2000000000 0.0001429536 0.0001641191 0.0004063047 0.0009397883 0.0006002883
69.9800000000 0.0012248907 0.0015014551 0.0035967590 0.0040845244 0.0114355905
22.6400000000 0.0063589239 0.0073769191 0.0197550020 0.0492238842 0.0411203149
8.4850000000 0.0235884808 0.0284317842 0.0825675839 0.1228405403 0.3290664070
3.4590000000 0.0696777731 0.0674783713 0.2839301676 0.9228986017 1.2113348166
1.5040000000 0.1664464149 0.2857591239 0.7770202553 -0.2970067634 -3.3691504700
0.6783000000 0.2933564994 0.5586074972 -0.4435648258 -1.7344708312 3.5592133501
0.3087000000 0.3512017572 -0.0898519083 -1.0388445407 2.0684880734 -1.6108211241
0.1400000000 0.2563868868 -0.6546507650 0.5735322398 -0.4752113371 -0.4580909637
0.0617800000 0.0762169165 -0.2604391448 0.3869815823 -0.4799768181 0.7847358941
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
4.5420000000 0.0143889048 -0.0007635462 0.0329025262 0.5433712254
1.9790000000 0.0713989420 0.3071489206 1.0671262673 0.6109119456
0.8621000000 0.3570760522 0.7744199003 -0.5964927180 -2.0113874069
0.3756000000 0.4803354126 -0.4242215167 -0.8310168604 2.2672346754
0.1636000000 0.2551176449 -0.5691046088 0.9849265660 -1.2369200642
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
2.6310000000 0.0334914704 0.1476386115 0.8817952471
1.2550000000 0.2983549101 0.8935983013 -0.0446942153
0.5988000000 0.5168396500 -0.2771601877 -1.2681112027
0.2857000000 0.3061330041 -0.6534149141 1.1112168265
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
2.6520000000 0.0480375890 0.3987629426
1.2040000000 0.5014664999 0.7936111063
0.5470000000 0.5708020365 -1.0097234824
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
2.0300000000 0.3184734504
0.8511000000 0.7884877152
})
]
nitrogen: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
432300.0000000000 0.0000055936 0.0000012377 0.0000013948 -0.0000020720 -0.0000030819 -0.0000032165
64700.0000000000 0.0000435138 0.0000096146 0.0000109071 -0.0000153930 -0.0000160444 -0.0000338076
14720.0000000000 0.0002289287 0.0000507014 0.0000569709 -0.0000865570 -0.0001449299 -0.0001111344
4170.0000000000 0.0009650171 0.0002132911 0.0002427563 -0.0003344672 -0.0002751497 -0.0008429306
1361.0000000000 0.0035021904 0.0007784594 0.0008723951 -0.0013599801 -0.0025504308 -0.0013798125
491.2000000000 0.0112921163 0.0025133634 0.0028758828 -0.0038661715 -0.0021954854 -0.0114235543
191.6000000000 0.0326128265 0.0073972480 0.0082942767 -0.0134702049 -0.0287697195 -0.0113165958
79.4100000000 0.0832972697 0.0193531475 0.0225053948 -0.0300266728 -0.0094239217 -0.1174824786
34.5300000000 0.1799856581 0.0449446014 0.0512093507 -0.0925316587 -0.2382691478 -0.0856959751
15.5800000000 0.3050035130 0.0862431945 0.1048497272 -0.1386151714 0.0832092990 -0.6528784300
7.2320000000 0.3411593117 0.1342509759 0.1644290239 -0.3824931664 -1.3710428890 -0.4187276033
3.3820000000 0.1774826966 0.1060138777 0.1710558715 0.0954870859 2.5810791286 4.4851289366
1.3690000000 0.0198840957 -0.1384170918 -0.5974990638 2.0469664361 0.0968375206 -8.3391702761
0.6248000000 -0.0012466348 -0.4391267599 -0.9102913983 -1.3008336658 -4.0287287838 8.9280058942
0.2747000000 0.0010401039 -0.4313435809 0.5234527691 -1.6185133598 4.8372747145 -5.7454717061
0.1192000000 -0.0001265860 -0.1507186091 0.8200521439 1.6426401236 -2.2039434874 1.9300932277
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
415.9000000000 0.0001493515 0.0001951090 0.0004162692 0.0009016300 -0.0006249207
98.6100000000 0.0012852780 0.0017570195 0.0036425363 0.0040954053 -0.0118711775
31.9200000000 0.0067482167 0.0089935233 0.0208775389 0.0480819490 -0.0457617977
12.0000000000 0.0254480843 0.0354017865 0.0869515693 0.1283088160 -0.3562368746
4.9190000000 0.0755743643 0.0970144192 0.3019545646 0.9013030259 -1.1547650339
2.1480000000 0.1758280802 0.3245625207 0.7481924316 -0.3256054513 3.2831080289
0.9696000000 0.2962195131 0.5070185471 -0.5366016092 -1.6891698959 -3.4280958539
0.4399000000 0.3441099405 -0.1454680195 -0.9624028745 2.0246910129 1.4831621611
0.1978000000 0.2503615773 -0.6201309743 0.5979386882 -0.4243076847 0.5209446353
0.0860300000 0.0763931220 -0.2427206584 0.3812822948 -0.5129473213 -0.7993514305
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
6.7170000000 0.0153532025 0.0133057296 0.0280163389 0.5086756817
2.8960000000 0.0739377840 0.3124701443 1.0297739592 0.6662882420
1.2490000000 0.3611149183 0.7432037059 -0.5367096541 -2.0233933367
0.5380000000 0.4784008261 -0.3999521968 -0.8723528615 2.2213626995
0.2320000000 0.2548775648 -0.5773663132 1.0053129855 -1.1937389538
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
3.8290000000 0.0362155054 0.1665181516 0.8760985939
1.7950000000 0.3001021670 0.8611596087 -0.0651467061
0.8410000000 0.5301475088 -0.2702897639 -1.2039170404
0.3940000000 0.2930118022 -0.6479013550 1.0802470627
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
3.8560000000 0.0492267794 0.3952178799
1.7020000000 0.5020196858 0.7803367978
0.7510000000 0.5770638437 -0.9848839528
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
2.8750000000 0.3280540138
1.1700000000 0.7867803891
})
]
oxygen: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
570800.0000000000 0.0000055477 0.0000012619 -0.0000014956 -0.0000021012 -0.0000029655 -0.0000029095
85480.0000000000 0.0000431114 0.0000097942 -0.0000116782 -0.0000153046 -0.0000147549 -0.0000336853
19460.0000000000 0.0002266878 0.0000516082 -0.0000610049 -0.0000883188 -0.0001407929 -0.0000929766
5512.0000000000 0.0009564461 0.0002173760 -0.0002599662 -0.0003296065 -0.0002431714 -0.0008633138
1798.0000000000 0.0034734806 0.0007936340 -0.0009359729 -0.0014011800 -0.0025028798 -0.0010088651
648.9000000000 0.0111986722 0.0025636828 -0.0030816635 -0.0037697061 -0.0017543790 -0.0119513211
253.1000000000 0.0323902914 0.0075540649 -0.0089188306 -0.0140318733 -0.0284097461 -0.0062262482
104.9000000000 0.0828666917 0.0198252847 -0.0242145842 -0.0289525787 -0.0045223378 -0.1218457718
45.6500000000 0.1795999151 0.0462226113 -0.0555592008 -0.0982062901 -0.2359277366 -0.0342438172
20.6200000000 0.3052522946 0.0893623473 -0.1145275935 -0.1307408651 0.1015962191 -0.7677980771
9.5870000000 0.3409416044 0.1383434619 -0.1828853636 -0.4339939687 -1.4572638531 -0.2753089004
4.4930000000 0.1774628746 0.1051813067 -0.1753958431 0.1774273814 2.8423451082 4.3923045826
1.8370000000 0.0204404056 -0.1491659047 0.7138602082 2.1865884409 -0.4290488202 -8.2627346783
0.8349000000 -0.0011225476 -0.4435386388 0.8831041524 -1.8488602248 -3.5090199747 8.8803009927
0.3658000000 0.0009015503 -0.4304217683 -0.7228450116 -1.0626335267 4.6357036614 -5.7952609875
0.1570000000 -0.0001420890 -0.1392847630 -0.6629030498 1.4644411549 -2.2171415967 1.9811779654
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
525.6000000000 0.0001676631 0.0002041327 0.0003397509 0.0006843904 0.0009935913
124.6000000000 0.0014434160 0.0017992162 0.0030597166 0.0038317526 0.0052915004
40.3400000000 0.0075973289 0.0093549749 0.0166722601 0.0355035900 0.0554649162
15.1800000000 0.0288049894 0.0361612981 0.0691106710 0.1042174544 0.1791581245
6.2450000000 0.0849419814 0.1047852150 0.2246739298 0.6142436051 1.1933633162
2.7320000000 0.1899631174 0.3132249093 0.6387770416 0.3171424964 -2.0199001115
1.2270000000 0.2990478650 0.4464833129 -0.2244503728 -1.6688331268 0.5076005193
0.5492000000 0.3320569965 -0.1162190220 -0.9381963502 0.8102833643 1.7331451013
0.2418000000 0.2419920846 -0.5398121590 0.1164759037 0.9250784484 -2.4389516044
0.1025000000 0.0836337245 -0.3468451765 0.7366445524 -1.0382066053 1.2842763076
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
8.2530000000 0.0204005719 0.0253040956 0.0943618010 0.5481200762
3.5970000000 0.0941369585 0.3693832197 0.9815184546 0.5686170604
1.5680000000 0.3964770909 0.6505508649 -0.5992759808 -2.0234530180
0.6840000000 0.4553601610 -0.4116458521 -0.8182429901 2.2961931843
0.2980000000 0.2204057295 -0.5804977663 1.0088108958 -1.2343429139
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
5.4300000000 0.0335228290 0.1564321424 0.6990216887
2.4160000000 0.2884311646 0.7823313009 0.2321664477
1.0750000000 0.5272437798 -0.1129786260 -1.3229503122
0.4780000000 0.3296607779 -0.7119434840 1.0652886078
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
5.2110000000 0.0591759242 0.3900279171
2.1900000000 0.5015394495 0.7586244183
0.9200000000 0.5853240277 -0.9506697727
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
3.8720000000 0.3158094938
1.5050000000 0.8048772189
})
]
fluorine: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
723500.0000000000 0.0000055553 0.0000013026 -0.0000015812 -0.0000022138 -0.0000030341 0.0000025151
108400.0000000000 0.0000431553 0.0000101077 -0.0000123348 -0.0000157194 -0.0000146552 0.0000367989
24680.0000000000 0.0002268882 0.0000532435 -0.0000644826 -0.0000939462 -0.0001449991 0.0000622450
6990.0000000000 0.0009575524 0.0002243797 -0.0002745547 -0.0003342040 -0.0002344373 0.0009963313
2282.0000000000 0.0034684130 0.0008168400 -0.0009873826 -0.0015031547 -0.0025901950 0.0002816193
824.6000000000 0.0111796501 0.0026390477 -0.0032450794 -0.0037496030 -0.0015488021 0.0143688877
321.8000000000 0.0323122990 0.0077680664 -0.0094085579 -0.0152245069 -0.0295179695 -0.0037610552
133.5000000000 0.0827520288 0.0204244295 -0.0255267961 -0.0282133583 -0.0018664288 0.1493186379
58.1100000000 0.1797788209 0.0477452371 -0.0590490461 -0.1087379605 -0.2467714274 -0.0610033962
26.2800000000 0.3053815712 0.0924737947 -0.1218295932 -0.1214794589 0.1148438357 1.0323431424
12.2400000000 0.3399668832 0.1419594377 -0.1971062346 -0.5124105037 -1.6055054380 -0.3005012328
5.7470000000 0.1764600805 0.1040673447 -0.1743133493 0.3089446266 3.4154513477 -3.6938473969
2.3650000000 0.0211818400 -0.1571528412 0.8011339277 2.3171309573 -1.5618842102 7.7504340882
1.0710000000 0.0002018100 -0.4453843402 0.8433478026 -2.4398848768 -2.3284146617 -8.7496670172
0.4681000000 0.0020122870 -0.4282969012 -0.8437666826 -0.4179981518 4.0351162515 6.0030240582
0.1994000000 0.0001869180 -0.1334229001 -0.5565415269 1.2155567456 -2.1130982804 -2.1476393117
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
660.0000000000 0.0001782292 0.0002343478 0.0003963333 0.0007833209 0.0008931184
156.4000000000 0.0015363519 0.0020724260 0.0033830461 0.0037763934 0.0066667209
50.6400000000 0.0081228434 0.0108206813 0.0196902218 0.0408246377 0.0517357319
19.0800000000 0.0309453269 0.0423975838 0.0773666944 0.1079050538 0.2213078001
7.8720000000 0.0908038263 0.1252617416 0.2753925619 0.7431426467 1.1774895748
3.4490000000 0.1976141799 0.3557554018 0.6855839940 -0.0132316154 -2.4221006342
1.5450000000 0.3005906180 0.4260597814 -0.4987901060 -1.6641378963 1.4327553236
0.6864000000 0.3264224499 -0.1962653428 -0.8786594053 1.4008139337 0.7673602245
0.2986000000 0.2396685264 -0.5539365531 0.4221537048 0.2968198705 -1.9617562892
0.1245000000 0.0812040964 -0.2621522640 0.5253050835 -0.8343002415 1.2492503793
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
10.5730000000 0.0227863167 0.0338687384 0.1167997625 0.6020249801
4.6130000000 0.1014701669 0.3932523552 0.9968811648 0.4299077088
2.0130000000 0.4106536839 0.6202921281 -0.7120617591 -1.9118110935
0.8780000000 0.4490885351 -0.4439737872 -0.7000934288 2.2752511402
0.3830000000 0.2033548260 -0.5562789681 0.9713848611 -1.2559828417
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
7.5630000000 0.0256618573 0.1447303060 0.6341924326
3.3300000000 0.2724334030 0.7549044535 0.3588685083
1.4660000000 0.5429625432 -0.0382875062 -1.3803801068
0.6450000000 0.3335503239 -0.7482248408 1.0661961267
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
6.7350000000 0.0662405654 0.4041895021
2.7830000000 0.5083148884 0.7301306369
1.1500000000 0.5794720560 -0.9364647793
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
5.0880000000 0.3095639692
1.9370000000 0.8133345845
})
]
neon: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
902400.0000000000 0.0000055071 0.0000012963 -0.0000016115 -0.0000022775 -0.0000031420 0.0000019547
135100.0000000000 0.0000428234 0.0000100690 -0.0000125800 -0.0000158878 -0.0000151680 0.0000424196
30750.0000000000 0.0002251425 0.0000530405 -0.0000657939 -0.0000974546 -0.0001503810 0.0000159393
8710.0000000000 0.0009501602 0.0002235171 -0.0002799674 -0.0003344131 -0.0002422786 0.0012234004
2842.0000000000 0.0034471885 0.0008150559 -0.0010092608 -0.0015728981 -0.0026892122 -0.0008231571
1026.0000000000 0.0111254471 0.0026368822 -0.0033183047 -0.0037161454 -0.0016066023 0.0184875609
400.1000000000 0.0322056752 0.0077760083 -0.0096483669 -0.0160993168 -0.0307228721 -0.0190594849
165.9000000000 0.0825989133 0.0204887059 -0.0261882549 -0.0275130195 -0.0017462153 0.1972121998
72.2100000000 0.1799056420 0.0480966546 -0.0609198166 -0.1165045331 -0.2580587577 -0.2078230108
32.6600000000 0.3060520777 0.0935683962 -0.1260413906 -0.1142361471 0.1096407679 1.4607828808
15.2200000000 0.3401255836 0.1433560718 -0.2054888974 -0.5766119902 -1.7523261573 -1.2516770885
7.1490000000 0.1761682211 0.1021558762 -0.1719233603 0.4176357130 4.0496871089 -2.4914340355
2.9570000000 0.0210152784 -0.1629347673 0.8489060997 2.3884096204 -2.8024524730 6.7702358098
1.3350000000 -0.0005074379 -0.4466761688 0.8131694566 -2.8381924646 -0.9689744100 -8.2953675919
0.5816000000 0.0010578574 -0.4258625122 -0.9018536884 0.0497789435 3.2186609348 6.0811694353
0.2463000000 -0.0000598773 -0.1303062944 -0.4999251190 1.0151612410 -1.8922787526 -2.2975386617
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
815.6000000000 0.0001847705 0.0002554864 0.0004493493 0.0009085852 0.0005664185
193.3000000000 0.0015941093 0.0022579163 0.0036446948 0.0039377448 0.0126400773
62.6000000000 0.0084653531 0.0118809731 0.0225385482 0.0475825171 0.0409475271
23.6100000000 0.0324030611 0.0469683102 0.0842160085 0.1216311614 0.3949445387
9.7620000000 0.0947184717 0.1409600178 0.3254115521 0.9231187595 1.0904688829
4.2810000000 0.2026241681 0.3822895707 0.7220346106 -0.4938976550 -3.2013952321
1.9150000000 0.3017949700 0.4049571155 -0.7514143816 -1.4687792863 3.3871279253
0.8476000000 0.3231669759 -0.2487725194 -0.7615446193 1.9234694877 -1.6136734573
0.3660000000 0.2371385895 -0.5505559893 0.6360693889 -0.4608925716 -0.2894865651
0.1510000000 0.0791176295 -0.2146565483 0.3274811852 -0.4798695759 0.6890912493
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
13.3170000000 0.0247658998 0.0402982534 0.1267033604 0.6291442890
5.8030000000 0.1068765548 0.4048604855 1.0068865761 0.3520054136
2.5290000000 0.4205406931 0.5998920244 -0.7763614794 -1.8421110240
1.1020000000 0.4449468742 -0.4614427842 -0.6269674161 2.2530306618
0.4800000000 0.1908712837 -0.5440313566 0.9456243716 -1.2625428880
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
10.3560000000 0.0150197139 0.1285912659 0.5620675666
4.5380000000 0.2512426801 0.7272499164 0.5040345495
1.9890000000 0.5756220779 0.0355862089 -1.4489027550
0.8710000000 0.3197084635 -0.7908397235 1.0765425205
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
8.3450000000 0.0743091485 0.4250209850
3.4170000000 0.5189613487 0.6945765111
1.3990000000 0.5671524305 -0.9265264958
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
6.5190000000 0.3013062530
2.4470000000 0.8218554485
})
]
sodium: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
1918700.0000000000 0.0000027088 0.0000007485 0.0000001096 -0.0000009121 0.0000020318 0.0000033104 -0.0000031093
287270.0000000000 0.0000210578 0.0000058177 0.0000008513 -0.0000070597 0.0000161964 0.0000256365 -0.0000216309
65382.0000000000 0.0001107868 0.0000306178 0.0000044829 -0.0000373862 0.0000822300 0.0001358259 -0.0001334189
18523.0000000000 0.0004675326 0.0001292259 0.0000189095 -0.0001565746 0.0003647153 0.0005708687 -0.0004578485
6045.4000000000 0.0017013284 0.0004709708 0.0000689893 -0.0005770453 0.0012584616 0.0021220161 -0.0021958052
2184.2000000000 0.0055150746 0.0015307346 0.0002241299 -0.0018576772 0.0044759137 0.0070469285 -0.0055058525
853.1100000000 0.0162308700 0.0045412540 0.0006666895 -0.0056416232 0.0128756216 0.0234446589 -0.0269618618
354.6900000000 0.0431395655 0.0122699314 0.0018044493 -0.0153304856 0.0444201519 0.0817720804 -0.0807636628
155.3300000000 0.1014860232 0.0299593063 0.0044437500 -0.0400233925 0.1249910991 0.2854146311 -0.3800639019
71.2340000000 0.1993943053 0.0633214284 0.0094931411 -0.0843610950 0.2836318908 0.5009596172 -0.3287080998
33.8350000000 0.3087288958 0.1142954747 0.0176175702 -0.1526565277 0.1687893908 0.0216342694 0.1943339680
16.3490000000 0.3067052305 0.1541637857 0.0247238067 -0.2121931436 0.1879554186 -0.8183593516 2.2520219876
8.0082000000 0.1380881578 0.0893386546 0.0150685595 -0.1082608080 -0.8576041123 -1.2164771885 -2.2448534382
3.6713000000 0.0228929786 -0.1659774106 -0.0326908857 0.9474074884 -1.2541324249 2.2502339785 -1.8846594262
1.7118000000 0.0132950975 -0.4384235088 -0.0905675951 0.7691961289 1.9793554125 0.1357662428 5.5704754981
0.7914700000 0.0136239139 -0.4291049529 -0.1275950087 -0.9537883808 0.4183235618 -2.4514089720 -5.0570794688
0.3547900000 0.0037386766 -0.1293167239 -0.1221995181 -0.5979001026 -1.2659024909 1.5866471852 1.6624092790
0.0906640000 0.0000744574 0.0004404906 0.2666159471 0.0463503976 -0.2173944226 0.5430686832 1.1160580952
0.0443130000 -0.0000095217 -0.0024793949 0.5622463461 0.2186199667 0.4805607442 -0.7528198231 -1.2277114240
0.0219480000 0.0000213706 0.0009626429 0.2797583349 0.0803942641 0.0010385908 0.1037431269 0.2944664223
0.0108210000 -0.0000000000 -0.0004041010 0.0184296293 0.0098346670 0.0403416859 -0.0748371651 -0.1382660542
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
3044.2000000000 0.0000281041 0.0000422160 0.0000810643 0.0001705498
720.0200000000 0.0002565120 0.0003890985 0.0007599494 0.0018599012
234.4200000000 0.0014177652 0.0022214108 0.0054132257 0.0144169183
89.6660000000 0.0063916825 0.0103861947 0.0282309697 0.0840397550
36.6950000000 0.0231537137 0.0369679527 0.0870027484 0.2033485416
16.2560000000 0.0652632255 0.1020915363 0.1685283283 0.2884919316
7.6593000000 0.1440680587 0.2601454501 0.4538962512 0.4535201994
3.7125000000 0.2426572379 0.4512333146 0.1284310951 -0.7009180576
1.7992000000 0.3066501458 0.1116118230 -0.7816244203 -0.7281775080
0.8628800000 0.2855229241 -0.4765918702 -0.3019354624 1.0331128747
0.4010400000 0.1569049195 -0.4161525704 0.3966105069 0.2687574462
0.1775900000 0.0250223117 -0.0994949247 0.4222102677 -0.5603174688
0.0807000000 0.0009795285 -0.0117309641 0.1529311136 -0.2954660717
0.0367000000 0.0001433108 -0.0039101668 0.0385970841 -0.0625363874
0.0167000000 0.0000382855 0.0002098260 -0.0009238694 -0.0004675888
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
2.3500000000 0.8485363766 0.7175433886 0.1836900297
0.5600000000 0.2801219125 -1.0888986427 -0.5779571399
0.1400000000 -0.0151540850 0.0233471283 1.1403854596
})
(type: [ (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1} = {
1.0800000000 1.0245267551 0.2395966654
0.2400000000 -0.0908895910 -1.0482369562
})
(type: [ (am = g puream = 1) ]
{exp coef:0} = {
0.3000000000 1.0000000000
})
]
magnesium: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
3199100.0000000000 0.0000017950 0.0000004537 0.0000000875 0.0000000280 0.0000000647 0.0000001079 -0.0000002761
479000.0000000000 0.0000139619 0.0000035256 0.0000006788 0.0000002395 0.0000004376 0.0000010150 -0.0000013730
109010.0000000000 0.0000734120 0.0000185673 0.0000035808 0.0000010945 0.0000028009 0.0000039993 -0.0000131129
30878.0000000000 0.0003103614 0.0000783671 0.0000150794 0.0000055492 0.0000090621 0.0000243706 -0.0000226189
10075.0000000000 0.0011295201 0.0002861870 0.0000552299 0.0000160017 0.0000457595 0.0000546379 -0.0002327859
3637.9000000000 0.0036825151 0.0009325269 0.0001793639 0.0000691337 0.0000986988 0.0003149431 -0.0001605936
1419.5000000000 0.0109059255 0.0027886571 0.0005388577 0.0001458382 0.0004763893 0.0004507351 -0.0026290311
589.3500000000 0.0295927497 0.0076392459 0.0014701301 0.0005991665 0.0007145585 0.0028424267 -0.0001895250
257.5300000000 0.0721890156 0.0193013967 0.0037442976 0.0009158278 0.0035949061 0.0023512994 -0.0216965460
117.1700000000 0.1552649528 0.0438512116 0.0084806778 0.0037456039 0.0032847741 0.0187308234 0.0089402317
54.7620000000 0.2727110821 0.0880107485 0.0173277526 0.0033686778 0.0191881365 0.0039131666 -0.1317144493
26.2880000000 0.3344487713 0.1372739709 0.0271678567 0.0148488419 0.0022781446 0.0831753455 0.1289568226
12.8600000000 0.2199168441 0.1369763624 0.0286523167 -0.0029418998 0.0566985070 -0.0623850426 -0.5304037430
6.2604000000 0.0496777160 -0.0420379328 -0.0104754726 0.0203771606 -0.0772645697 0.1807160630 0.9164237824
2.8514000000 0.0027601574 -0.3727875673 -0.0857137348 -0.0755531699 0.0766595026 -0.5093224705 -1.5952910598
1.3058000000 0.0008143242 -0.5190147633 -0.1685480845 0.0331803053 -0.3929458012 0.5300559584 4.7995122417
0.5833100000 0.0000760996 -0.2112102621 -0.1679893506 -0.2102622844 0.3208416733 -1.7492262740 -6.4244792807
0.1684900000 0.0000236754 -0.0027817880 0.2258424187 0.8016900862 -2.1814872063 7.8950043647 7.4294153649
0.0856460000 -0.0000206013 -0.0015874092 0.4543273830 -2.1344067866 8.0281545753 -12.3350302701 -8.0504744938
0.0450770000 0.0000110197 0.0014257844 0.3902252847 4.2379493487 -8.9223905776 8.0314071207 4.4677722334
0.0219340000 -0.0000027094 -0.0004188622 0.0848474620 -3.1742581236 3.1552746770 -2.0791489727 -1.0960111147
})
(type: [ am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3} = {
4157.8000000000 0.0000236086 0.0000014167 0.0000039061 0.0000014520
984.5300000000 0.0002172468 0.0000192918 0.0000156905 0.0000688093
320.0900000000 0.0012060672 0.0000735564 0.0001961554 0.0000841286
121.7300000000 0.0056165426 0.0004918818 0.0004329136 0.0017123351
49.8920000000 0.0202158577 0.0012531758 0.0032640113 0.0015381739
22.5420000000 0.0566094004 0.0051729321 0.0039187280 0.0188826703
10.7490000000 0.1300385273 0.0075510231 0.0236683494 0.0040796823
5.2899000000 0.2291317315 0.0236912477 0.0089731778 0.0988265552
2.5996000000 0.3145207710 0.0120432758 0.0803719313 -0.0505301434
1.2518000000 0.3051945012 0.0526499427 -0.0451687876 0.3132357791
0.5924600000 0.1535948983 -0.0400496777 0.2020922755 -0.4836112315
0.2694100000 0.0225671416 0.0831726078 -0.4596326707 1.0870408401
0.1225000000 0.0011363648 -0.3817442098 0.7249486855 -3.4355394511
0.0557000000 0.0002596972 0.3581759158 -2.3784454123 3.5419006518
0.0253000000 0.0000137661 -1.1158128170 1.7350264225 -1.3242744077
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
3.3600000000 0.0216295093 0.0466859302 1.1248858785
0.8000000000 0.0049738185 1.0998985982 -0.6226178071
0.2000000000 0.9960022920 -0.5218381950 0.1919627226
})
(type: [ (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1} = {
1.3500000000 -0.0279620132 1.0517983457
0.3000000000 1.0083424056 -0.3005116091
})
(type: [ (am = g puream = 1) ]
{exp coef:0} = {
0.3500000000 1.0000000000
})
]
aluminum: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
3652000.0000000000 0.0000018637 0.0000004848 0.0000001107 0.0000001496 0.0000002061 -0.0000003363 0.0000005214
546800.0000000000 0.0000144635 0.0000037607 0.0000008591 0.0000011735 0.0000017153 -0.0000022639 0.0000030180
124500.0000000000 0.0000761824 0.0000198230 0.0000045255 0.0000060873 0.0000081490 -0.0000145803 0.0000237840
35440.0000000000 0.0003158235 0.0000821362 0.0000187694 0.0000257771 0.0000387797 -0.0000455533 0.0000543386
11840.0000000000 0.0010973874 0.0002859936 0.0000652773 0.0000871996 0.0001118472 -0.0002274899 0.0003940892
4434.0000000000 0.0033697098 0.0008789728 0.0002009878 0.0002783642 0.0004371204 -0.0004231901 0.0003900264
1812.0000000000 0.0093221881 0.0024496839 0.0005592223 0.0007395216 0.0008870741 -0.0021680090 0.0040275471
791.5000000000 0.0237993006 0.0063137218 0.0014463830 0.0020256318 0.0033529949 -0.0024625545 0.0010791241
361.0000000000 0.0568193211 0.0154946400 0.0035455988 0.0046422363 0.0051703822 -0.0153280862 0.0302884759
169.5000000000 0.1224688474 0.0349794080 0.0080644174 0.0114436286 0.0200182998 -0.0108183653 -0.0025239503
81.6800000000 0.2238975904 0.0708150170 0.0163827254 0.0211580673 0.0208212154 -0.0832372229 0.1771019040
40.2800000000 0.3134446769 0.1194903762 0.0282463510 0.0414650571 0.0817328395 -0.0064290717 -0.1098458240
20.2500000000 0.2749772585 0.1489285897 0.0359202031 0.0435211688 0.0153743546 -0.2924930770 0.7296308630
10.2300000000 0.1105733913 0.0590936008 0.0151042507 0.0324891435 0.1376098151 0.3148888831 -1.1663428270
4.8020000000 0.0119196229 -0.2167547776 -0.0605797083 -0.1196504024 -0.4141414401 -0.1844575591 1.4431539151
2.3390000000 0.0006369322 -0.4769006098 -0.1508458697 -0.1600031964 0.2147209157 1.7412863330 -6.1808452623
1.1630000000 0.0004487692 -0.3764545105 -0.2197750427 -0.5198351326 -2.0927076649 -1.0568114048 12.6988673829
0.5882000000 -0.0000380120 -0.0870507052 -0.0945734630 0.1665990524 3.5139060536 -2.9456892236 -12.2612551247
0.2311000000 0.0000593791 -0.0012553997 0.4009096114 1.8438321393 -0.8395895195 6.1140050797 8.2825106589
0.1027000000 0.0000587612 0.0022755184 0.6098385480 -0.8377239912 -2.1906843624 -5.8986517845 -5.2409286023
0.0452100000 0.0000261452 0.0005978034 0.1812425049 -0.7637343604 1.8376241172 2.4830074680 1.7437331181
})
(type: [ am = p am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
2884.0000000000 0.0000638513 0.0000120316 0.0000142841 0.0000238482 0.0000678979 0.0000269578
683.2000000000 0.0005636181 0.0001068310 0.0001360566 0.0001942814 0.0001351730 0.0008112307
222.0000000000 0.0031720969 0.0005990995 0.0007115502 0.0011880114 0.0033735428 0.0014171090
84.8200000000 0.0132523750 0.0025255848 0.0032161490 0.0045989411 0.0032684875 0.0198442819
35.8100000000 0.0433836653 0.0082911461 0.0097360249 0.0163337058 0.0496465827 0.0218001119
16.2200000000 0.1120603104 0.0218958429 0.0278786993 0.0382089444 0.0125441898 0.2066852102
7.7020000000 0.2180142757 0.0430126547 0.0498714840 0.0942740455 0.3550965184 0.0340093803
3.7410000000 0.3119431736 0.0633327606 0.0877150859 0.1110426891 -0.2245376033 0.7361831901
1.8310000000 0.3169439761 0.0677298350 0.0707128658 0.1908934527 1.2594290015 -0.9242289136
0.8878000000 0.1789251325 0.0417050279 0.1575376271 0.1369332131 -2.8090222248 -1.2241996062
0.3989000000 0.0309903761 -0.1302636002 -0.4809779769 -1.8722530557 1.6948368887 3.2564754944
0.1718000000 0.0001206735 -0.4202655134 -0.8348210970 1.6516107117 0.5752445478 -3.8465484098
0.0729800000 0.0006689449 -0.4498469253 0.7149805981 0.2220423910 -1.7338125203 3.1445158973
0.0306900000 -0.0001263149 -0.1544401658 0.4861292394 -0.8236450391 1.1454069900 -1.4415536697
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
2.2143000000 0.0178097303 0.0081280932 0.2169995922 -0.4817795132
0.9449000000 0.0104024313 -0.0780708823 -0.3618618768 2.2988280322
0.4032000000 0.2594736718 0.8755073302 -1.1399012491 -2.6064736168
0.1721000000 0.5570493165 0.0740558985 2.0816520141 1.7639202662
0.0734300000 0.3064913572 -0.9045955390 -1.2881205783 -0.7257299127
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
0.8756000000 -0.0156499578 -0.0738990485 0.5038783876
0.4472000000 0.2903045341 1.1023442854 0.8659373646
0.2284000000 0.4536392079 -0.1708018774 -2.1940561355
0.1167000000 0.3917011935 -0.7758684280 1.4580226409
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
0.6952000000 0.0793341378 0.6389645379
0.3771000000 0.5628915912 0.5761277632
0.2046000000 0.4415994308 -1.0940218198
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
0.6560000000 0.3122848445
0.3300000000 0.7595090429
})
]
silicon: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
4465000.0000000000 0.0000017473 0.0000004656 0.0000001174 0.0000001544 0.0000002050 -0.0000003457 0.0000004738
668500.0000000000 0.0000135737 0.0000036154 0.0000009117 0.0000012097 0.0000016473 -0.0000023141 0.0000029353
152200.0000000000 0.0000714074 0.0000190351 0.0000047979 0.0000062868 0.0000082479 -0.0000150206 0.0000211525
43300.0000000000 0.0002972583 0.0000791894 0.0000199725 0.0000266189 0.0000367054 -0.0000465539 0.0000559903
14410.0000000000 0.0010382833 0.0002772083 0.0000698666 0.0000910384 0.0001174087 -0.0002370515 0.0003448376
5394.0000000000 0.0031746754 0.0008481095 0.0002140131 0.0002872714 0.0004040679 -0.0004276750 0.0004573102
2212.0000000000 0.0087324958 0.0023503240 0.0005925740 0.0007656291 0.0009612055 -0.0022524769 0.0034126648
968.1000000000 0.0223831560 0.0060769746 0.0015361117 0.0020810559 0.0030005173 -0.0024477229 0.0020435991
441.2000000000 0.0537277388 0.0149870123 0.0037888605 0.0048593425 0.0059515591 -0.0160183300 0.0251655648
207.1000000000 0.1166496266 0.0340090641 0.0086522181 0.0118522651 0.0175729444 -0.0107202959 0.0056352762
99.8000000000 0.2159801909 0.0695329490 0.0177881630 0.0226106642 0.0267914016 -0.0881864960 0.1458693476
49.2400000000 0.3095683722 0.1191292035 0.0310894097 0.0438278795 0.0691625792 -0.0080984289 -0.0443629792
24.7400000000 0.2839493584 0.1538141850 0.0411817036 0.0504887020 0.0504674095 -0.3220368958 0.5983403530
12.4700000000 0.1222386085 0.0705550699 0.0198252138 0.0362050687 0.0844721410 0.3384022838 -0.9238805279
5.7950000000 0.0141879507 -0.2133828413 -0.0661548777 -0.1270928643 -0.2942164003 -0.1669423517 1.0310610659
2.8300000000 0.0002860923 -0.4923372859 -0.1800558890 -0.2001256711 -0.1272357349 1.9646361142 -5.6520587428
1.4070000000 0.0005809654 -0.3795188177 -0.2586501325 -0.5742179324 -1.5982515759 -1.7004680150 12.7286263638
0.6995000000 -0.0001362624 -0.0760495636 -0.0634512383 0.3055779655 3.5088049039 -2.8361090797 -14.1382867718
0.3083000000 0.0001132324 0.0002918897 0.4458147628 1.7987083339 -1.0992028759 6.6175217647 10.5710586131
0.1385000000 0.0000583027 0.0022699407 0.5867135228 -0.8746987215 -2.2412805449 -6.1480922278 -6.1628328409
0.0614500000 0.0000334760 0.0007920933 0.1713355928 -0.7519397942 1.9071138893 2.5299605620 1.9647977342
})
(type: [ am = p am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
3572.0000000000 0.0000598101 0.0000130489 0.0000157401 0.0000300647 0.0000622747 0.0000055239
846.0000000000 0.0005290197 0.0001153341 0.0001447401 0.0002019631 0.0002981073 0.0009566555
274.8000000000 0.0029927264 0.0006545621 0.0007900959 0.0015081670 0.0031335729 0.0004046009
105.0000000000 0.0126203482 0.0027679638 0.0034753084 0.0048865849 0.0074308334 0.0237323244
44.3500000000 0.0418585003 0.0092817285 0.0111422064 0.0217118781 0.0472059608 0.0072463936
20.0800000000 0.1101297267 0.0248181605 0.0310943218 0.0416318863 0.0640128696 0.2590642982
9.5300000000 0.2185746699 0.0504241847 0.0607776749 0.1359243112 0.3184040413 -0.0877414992
4.6340000000 0.3174806034 0.0744168937 0.0978451850 0.0944419852 0.0021590931 1.0771118343
2.2800000000 0.3193308887 0.0817489341 0.0962138762 0.3177488798 0.8136898971 -1.9144370414
1.1160000000 0.1714145959 0.0308043509 0.1239530560 -0.2729942959 -2.7898873543 0.1928359176
0.4991000000 0.0272061913 -0.1781724925 -0.6357752212 -1.6466097242 2.4751646946 2.4202626917
0.2254000000 -0.0003246500 -0.4297428083 -0.6602065294 1.9401066733 -0.3192064050 -3.8836056243
0.1001000000 0.0008254369 -0.4115302182 0.7632107906 -0.0999669875 -1.2987258366 3.5117044309
0.0433200000 -0.0001201983 -0.1316751465 0.4370191772 -0.7318449301 1.0435997897 -1.6444953942
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
3.2386000000 0.0197751361 0.0047324796 0.1826697999 -0.3045303882
1.3767000000 0.0150954672 -0.0963416463 -0.2556745838 2.1030436739
0.5853000000 0.2572361186 0.8702035508 -1.2568462485 -2.3877144249
0.2488000000 0.5560472315 0.1002739841 2.1380574564 1.5758056804
0.1058000000 0.3081147567 -0.9214189416 -1.2919640141 -0.6476148127
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
1.3510000000 -0.0131724073 -0.1217142136 0.2314872032
0.6600000000 0.2474597385 1.0424299530 1.2189666613
0.3225000000 0.5293164377 -0.0608198030 -2.2556386924
0.1575000000 0.3562072296 -0.8151146153 1.4229734280
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
0.8528000000 0.1359398702 0.7726675764
0.4631000000 0.5530308051 0.3366840354
0.2515000000 0.4077749940 -0.9956000887
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
0.8557000000 0.3386853085
0.4231000000 0.7400001332
})
]
phosphorous: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
5384000.0000000000 0.0000016457 0.0000004469 0.0000001233 0.0000001526 0.0000002017 -0.0000003487 0.0000004516
806200.0000000000 0.0000127815 0.0000034695 0.0000009570 0.0000011946 0.0000015901 -0.0000023248 0.0000028765
183600.0000000000 0.0000672065 0.0000182569 0.0000050356 0.0000062114 0.0000081822 -0.0000151631 0.0000199557
52250.0000000000 0.0002797109 0.0000759386 0.0000209489 0.0000262588 0.0000350779 -0.0000466071 0.0000559284
17390.0000000000 0.0009766998 0.0002657236 0.0000732948 0.0000899315 0.0001179139 -0.0002397638 0.0003218581
6523.0000000000 0.0029683492 0.0008080453 0.0002229871 0.0002814550 0.0003782505 -0.0004210720 0.0004722209
2687.0000000000 0.0081239977 0.0022273283 0.0006147004 0.0007481310 0.0009740148 -0.0022627945 0.0031167633
1178.0000000000 0.0209200106 0.0057833199 0.0015982748 0.0020348735 0.0027560811 -0.0023966118 0.0023747485
536.2000000000 0.0505590328 0.0143437812 0.0039699165 0.0048018560 0.0062251053 -0.0161768744 0.0228231977
251.5000000000 0.1104791033 0.0327060584 0.0090937104 0.0117025222 0.0160328102 -0.0105739287 0.0088299263
121.3000000000 0.2069569123 0.0673715266 0.0188701405 0.0226723683 0.0293865348 -0.0899977549 0.1324114254
59.8800000000 0.3047373414 0.1176471371 0.0335159167 0.0443417480 0.0624183676 -0.0105759693 -0.0156006277
30.0500000000 0.2929523106 0.1572798118 0.0461471119 0.0542824195 0.0694862147 -0.3395797314 0.5507809622
15.1200000000 0.1355607116 0.0838541752 0.0256075836 0.0413471455 0.0623982686 0.3395149878 -0.8183687762
7.0100000000 0.0173207816 -0.1997171854 -0.0673395749 -0.1274586979 -0.2222763088 -0.1528101726 0.8389700154
3.4410000000 -0.0000351698 -0.4986030336 -0.2038094414 -0.2161431174 -0.3277686050 2.0754864980 -5.3805150967
1.7120000000 0.0008032620 -0.3898171231 -0.2883032752 -0.5952197935 -1.2659961520 -1.9740350030 12.5600731183
0.8337000000 -0.0002438395 -0.0743425810 -0.0407361705 0.3712623750 3.3580397583 -2.9263787651 -15.2155529802
0.3912000000 0.0000987220 -0.0007367752 0.4713076887 1.7272055910 -1.0193956105 7.0501965798 12.1366860020
0.1777000000 -0.0000512279 -0.0009261894 0.5659660071 -0.8075089899 -2.4607237219 -6.3490572177 -6.7569830682
0.0793900000 0.0000100911 0.0000000000 0.1702693605 -0.8027687020 1.9996496274 2.5477771003 2.0875223450
})
(type: [ am = p am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
4552.0000000000 0.0000519530 0.0000125053 0.0000155755 0.0000299529 0.0000561663 -0.0000028536
1078.0000000000 0.0004604024 0.0001106415 0.0001422935 0.0001996742 0.0003082340 0.0009106254
350.1000000000 0.0026208164 0.0006324495 0.0007886088 0.0015148645 0.0028517349 0.0000071633
133.8000000000 0.0111872441 0.0027051340 0.0034835891 0.0049567751 0.0078827196 0.0228386338
56.5200000000 0.0378228974 0.0092564586 0.0115313768 0.0226188204 0.0443929003 0.0023516486
25.5800000000 0.1021163975 0.0254006335 0.0327400156 0.0452278279 0.0764746347 0.2584507587
12.1400000000 0.2103137453 0.0537628786 0.0676387623 0.1495691160 0.3087334849 -0.0995221699
5.9020000000 0.3173823797 0.0825945281 0.1100021755 0.1160589965 0.0828942509 1.1168940458
2.9100000000 0.3271640365 0.0926223095 0.1118379956 0.3290175161 0.6641373643 -2.0734160601
1.4350000000 0.1776869820 0.0309116256 0.1082446644 -0.3924085811 -2.8057807693 0.4251541318
0.6570000000 0.0293588218 -0.1930952447 -0.6884915103 -1.5315937173 2.7468974888 2.3420018914
0.3005000000 -0.0000752283 -0.4363625520 -0.5895119846 1.9633920738 -0.5912657300 -3.9438213549
0.1340000000 0.0006795891 -0.4008800592 0.7746977189 -0.1686624408 -1.1582810042 3.5800797747
0.0578300000 -0.0001259461 -0.1220492925 0.4128842454 -0.7134121876 1.0097718307 -1.6759567791
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
4.3008000000 0.0212636418 -0.0010126574 0.1662643841 -0.2223931346
1.8346000000 0.0188050678 -0.1034761325 -0.2628110281 2.0202642221
0.7826000000 0.2647976295 0.8914468081 -1.2405545362 -2.3578345980
0.3339000000 0.5535103472 0.0694034624 2.1430295520 1.5825697189
0.1424000000 0.3004340001 -0.9131456221 -1.2992715303 -0.6643129685
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
1.8160000000 -0.0126043063 -0.1293028215 0.1682587235
0.8806000000 0.2459544396 1.0375543791 1.2908459228
0.4270000000 0.5491262846 -0.0626232880 -2.2764449884
0.2070000000 0.3363334805 -0.8172580019 1.4290232905
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
1.0616000000 0.1652146006 0.8451682647
0.5791000000 0.5536664228 0.2026595228
0.3159000000 0.3814824084 -0.9435213218
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
1.0850000000 0.3637638832
0.5277000000 0.7214519500
})
]
sulfur: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
6297000.0000000000 0.0000015921 0.0000004382 0.0000001350 0.0000001515 0.0000002175 -0.0000003537 0.0000004239
943100.0000000000 0.0000123599 0.0000034001 0.0000010473 0.0000011864 0.0000017014 -0.0000022186 0.0000029533
214900.0000000000 0.0000649159 0.0000178707 0.0000055054 0.0000061554 0.0000088365 -0.0000156897 0.0000180982
61250.0000000000 0.0002693326 0.0000741041 0.0000228258 0.0000259766 0.0000372408 -0.0000423991 0.0000605693
20450.0000000000 0.0009346034 0.0002576639 0.0000793897 0.0000882303 0.0001267345 -0.0002530285 0.0002782111
7719.0000000000 0.0028081493 0.0007746516 0.0002386496 0.0002737658 0.0003923294 -0.0003377330 0.0005665839
3198.0000000000 0.0076736278 0.0021312954 0.0006570998 0.0007237910 0.0010410141 -0.0024327681 0.0025253641
1402.0000000000 0.0198887182 0.0055689211 0.0017175837 0.0019883683 0.0028512138 -0.0016295615 0.0035969622
637.2000000000 0.0482561629 0.0138537158 0.0042826970 0.0046884897 0.0067679204 -0.0178221351 0.0179568714
298.9000000000 0.1057504175 0.0316453111 0.0098118258 0.0114963962 0.0165725289 -0.0049843994 0.0186732740
144.3000000000 0.2002096787 0.0656714009 0.0205253893 0.0223354902 0.0326736745 -0.1021067082 0.1014150904
71.2100000000 0.3007047557 0.1163667541 0.0368719010 0.0445622770 0.0651357654 0.0186567725 0.0497549609
35.7300000000 0.2986548787 0.1591288761 0.0519727886 0.0556857997 0.0850063621 -0.4099629591 0.4092649090
17.9700000000 0.1463267075 0.0941285220 0.0318049495 0.0465569275 0.0624786338 0.4578417433 -0.5273696195
8.3410000000 0.0201597202 -0.1869455747 -0.0692984997 -0.1262555207 -0.2344979072 -0.4628513460 0.2691559085
4.1120000000 -0.0001027048 -0.5017349200 -0.2299302040 -0.2175452587 -0.4090533612 2.9046910626 -4.4127379800
2.0450000000 0.0011010907 -0.3954799564 -0.3169482049 -0.6283016341 -1.2528100846 -3.5079811920 11.4989816413
0.9770000000 -0.0003101426 -0.0732558993 -0.0159749150 0.4241886575 3.9386872408 -1.2958829987 -15.4513801494
0.4766000000 -0.0001743228 -0.0061600338 0.4957998068 1.7450512169 -1.9634316309 6.1028742525 13.3555982564
0.2185000000 -0.0004191457 -0.0086419404 0.5502198982 -0.8970414287 -1.8355947721 -6.0642270602 -7.4995867074
0.0975900000 -0.0000912518 -0.0021011099 0.1581023881 -0.7683501822 1.7827651294 2.5373502024 2.3404983629
})
(type: [ am = p am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
5266.0000000000 0.0000522613 0.0000134501 0.0000154652 0.0000261265 0.0000472865 0.0000267334
1247.0000000000 0.0004635223 0.0001188809 0.0001408791 0.0001831142 0.0002300594 0.0006121052
405.0000000000 0.0026409857 0.0006815660 0.0007845892 0.0013237518 0.0023962232 0.0014371659
154.8000000000 0.0113168621 0.0029222411 0.0034675017 0.0045596034 0.0058935190 0.0154686053
65.3800000000 0.0384702429 0.0100822376 0.0116099085 0.0199287095 0.0370985605 0.0238100296
29.5900000000 0.1043389802 0.0277819341 0.0331206035 0.0428388835 0.0560642489 0.1714804908
14.0400000000 0.2156829406 0.0593004576 0.0693083831 0.1310204730 0.2682120361 0.1187946980
6.8240000000 0.3252583670 0.0911250782 0.1105846677 0.1141021004 0.0380989111 0.5822500551
3.3690000000 0.3261796946 0.1004947289 0.1084933001 0.2824872816 0.6181938317 -0.6567525787
1.6660000000 0.1631472917 0.0122559698 0.0773246928 -0.3619757334 -2.0645061533 -1.8054110160
0.7681000000 0.0238968197 -0.2376634453 -0.7015469162 -1.2922486103 1.1062650376 4.3245165854
0.3504000000 0.0004741483 -0.4374524061 -0.4723029029 1.4371629676 1.3088468043 -4.8587566697
0.1556000000 0.0007366333 -0.3652713498 0.6913382861 0.4007309084 -2.4272305524 3.5044846513
0.0668100000 0.0000198570 -0.1137546274 0.4658323810 -1.0014972170 1.4291669425 -1.3895622481
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
5.0755000000 0.0251450138 -0.0034219833 0.1815667387 -0.2682706357
2.1833000000 0.0247353053 -0.0685076016 -0.3647854360 2.0965275980
0.9392000000 0.2922763872 0.9010768772 -1.1055000987 -2.5329451178
0.4040000000 0.5461216262 -0.0118517043 2.1071503661 1.7501019074
0.1738000000 0.2745860461 -0.8849727408 -1.3200860708 -0.7379749347
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
1.3222000000 0.0748384273 0.3033489681 1.2232000689
0.7319000000 0.4165506000 0.8267740250 -0.5378047234
0.4051000000 0.3451685431 -0.3981182448 -1.4406020306
0.2243000000 0.3002791153 -0.6980296147 1.3765405549
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
1.3473000000 0.1454571995 0.6758497184
0.7009000000 0.5309339703 0.4442908437
0.3647000000 0.4370430927 -1.0136223313
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
1.2861000000 0.3512303568
0.6115000000 0.7368680124
})
]
chlorine: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
6410000.0000000000 0.0000018134 0.0000005314 0.0000000030 0.0000001698 -0.0000002454 0.0000002600 -0.0000002872
959600.0000000000 0.0000141111 0.0000041356 0.0000000242 0.0000013020 -0.0000017038 0.0000024949 -0.0000046759
218300.0000000000 0.0000742369 0.0000217541 0.0000001227 0.0000069960 -0.0000105333 0.0000095394 -0.0000060347
61810.0000000000 0.0003141152 0.0000921099 0.0000005444 0.0000288036 -0.0000358464 0.0000603692 -0.0001290009
20140.0000000000 0.0011463623 0.0003363575 0.0000018615 0.0001089500 -0.0001710464 0.0001289623 0.0000028591
7264.0000000000 0.0037386909 0.0011004694 0.0000064915 0.0003415483 -0.0003995626 0.0007878202 -0.0018846991
2832.0000000000 0.0110940777 0.0032848588 0.0000171666 0.0010740420 -0.0017689839 0.0010435252 0.0011586789
1175.0000000000 0.0301135997 0.0090573809 0.0000496124 0.0027892591 -0.0029990509 0.0071956118 -0.0191404289
512.6000000000 0.0739105226 0.0229428466 0.0000906845 0.0076251234 -0.0133610420 0.0053196412 0.0187610351
233.0000000000 0.1582493814 0.0525801453 0.0001672956 0.0161014859 -0.0149230657 0.0488209718 -0.1462607058
109.5000000000 0.2747350951 0.1042883588 -0.0001520201 0.0362533789 -0.0714207934 0.0066859406 0.1866940065
52.8600000000 0.3340364624 0.1654622541 -0.0011870140 0.0504717507 -0.0238172309 0.2274808947 -0.8238119058
25.8400000000 0.2175597801 0.1540218392 -0.0035702994 0.0667371854 -0.2061927692 -0.1682646033 1.3249211055
12.1700000000 0.0457431155 -0.0738403143 0.0044587752 -0.0617185781 0.3578970532 0.4917346127 -3.4450111510
6.0300000000 -0.0000293391 -0.4640154060 0.0423049009 -0.1249324583 -0.3577280432 -1.6897218253 10.6416289810
3.0120000000 0.0018350275 -0.5674793085 0.1729287178 -0.6046474562 2.6924701253 -0.7196676198 -17.2794314191
1.5110000000 -0.0004445327 -0.1905085616 0.0799121551 -0.1783077760 -3.9540969440 5.8577706280 15.5625663592
0.6604000000 -0.0000776684 0.1231404358 -0.4305627967 2.1890408950 0.6262331788 -8.2740591089 -9.6736346378
0.2926000000 -0.0004587124 0.1814151436 -0.5800768760 -0.8544231506 2.5843599682 6.5685251886 5.0095314691
0.1254000000 -0.0000940595 0.0572888245 -0.1833322170 -0.8253035227 -1.9044798894 -2.5271393034 -1.4807207749
})
(type: [ am = p am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
2548.0000000000 0.0002357017 0.0000639499 0.0000792628 0.0001077266 0.0002197740 0.0003560992
603.7000000000 0.0020515799 0.0005569862 0.0007426379 0.0010272250 0.0007818433 0.0012849466
195.6000000000 0.0111543331 0.0030474869 0.0037825549 0.0051645255 0.0106383005 0.0173994246
74.1500000000 0.0439815972 0.0121470785 0.0163312278 0.0228840699 0.0172358419 0.0300889397
30.9400000000 0.1299942320 0.0368757425 0.0460944074 0.0651495253 0.1497687221 0.2648836699
13.6900000000 0.2729591832 0.0796346992 0.1119987183 0.1620792145 0.0781907272 0.1178873035
6.2290000000 0.3836904520 0.1179864705 0.1292753470 0.1608737681 0.6187884668 1.0850703267
2.8780000000 0.2918694533 0.0871432235 0.1725511490 0.2854448087 -0.9770086078 -3.7550924124
1.2820000000 0.0704461278 -0.1421012819 -0.4628884187 -1.7256993596 -0.8552528712 4.8514844912
0.5641000000 0.0012867770 -0.4276857233 -0.7987449671 1.1337070246 2.7354653623 -3.9871017433
0.2348000000 0.0018296711 -0.4434172620 0.6410531198 0.7415976309 -2.8289492517 2.3639827845
0.0931200000 0.0000163527 -0.1623961240 0.5328110609 -1.0475106715 1.4210421531 -0.8759901249
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
0.2500000000 0.3728907832 -1.0387870410 1.1200224961 -0.4198856467
0.6180000000 0.5736769106 0.4428723678 -2.0619795413 1.0345516040
1.5290000000 0.1719760944 0.6549212715 1.5558396105 -1.7220970076
3.7810000000 0.0371180574 -0.0895377154 -0.0919624110 1.6215131733
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
0.3200000000 0.3304730660 -0.9141133031 1.4867964212
0.6560000000 0.5388098289 0.1140351621 -2.4749820261
1.3450000000 0.2567793816 0.8270567821 1.5506352314
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
0.5560000000 0.6985891062 -1.0609405258
1.3020000000 0.4044038399 1.2041922906
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
1.0530000000 1.0000000000
})
]
argon: "ano-pV5Z": [
(type: [ am = s am = s am = s am = s am = s am = s am = s ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
9149000.0000000000 0.0000013427 0.0000003813 0.0000001196 -0.0000001367 0.0000002027 -0.0000003293 0.0000003452
1370000.0000000000 0.0000104386 0.0000029633 0.0000009295 -0.0000010740 0.0000015917 -0.0000018877 0.0000026058
311900.0000000000 0.0000548567 0.0000155803 0.0000048884 -0.0000055565 0.0000082454 -0.0000150571 0.0000142904
88650.0000000000 0.0002295828 0.0000651880 0.0000204455 -0.0000237565 0.0000351960 -0.0000341674 0.0000564905
29330.0000000000 0.0008103338 0.0002304322 0.0000723150 -0.0000816261 0.0001212004 -0.0002550029 0.0002151918
10930.0000000000 0.0024853413 0.0007074586 0.0002219097 -0.0002602096 0.0003853461 -0.0002409141 0.0005990865
4480.0000000000 0.0068369173 0.0019572963 0.0006147545 -0.0006861311 0.0010202625 -0.0026145930 0.0018866047
1962.0000000000 0.0176198815 0.0050856225 0.0015970984 -0.0018950399 0.0028076686 -0.0005645308 0.0042078267
894.1000000000 0.0428751718 0.0126528350 0.0039865334 -0.0044077494 0.0065790981 -0.0196857873 0.0127715126
419.6000000000 0.0954852872 0.0293064513 0.0092577792 -0.0111231815 0.0165651285 0.0024650308 0.0245476328
202.3000000000 0.1850640043 0.0617712186 0.0197068769 -0.0215812668 0.0326566656 -0.1171495345 0.0703815446
99.8400000000 0.2890415368 0.1125407214 0.0364106866 -0.0450890638 0.0682935031 0.0567279069 0.0980188586
50.0700000000 0.3101655965 0.1622931602 0.0543600462 -0.0582069373 0.0931850677 -0.5085459238 0.2878674750
25.1400000000 0.1721832194 0.1184119757 0.0412101400 -0.0607658119 0.0892905674 0.6075583185 -0.2201499979
11.8100000000 0.0285227179 -0.1461475119 -0.0557198596 0.1167192188 -0.2510363395 -0.9040757906 -0.1275869717
5.8820000000 -0.0005757381 -0.4977515049 -0.2389790991 0.2034650119 -0.3897714652 3.9348718301 -4.0555237790
2.9390000000 0.0011812150 -0.4342396429 -0.3480660572 0.7215300226 -1.5121815194 -4.9930331276 11.2889364476
1.4050000000 -0.0004805349 -0.0890745104 -0.0114046784 -0.4385972721 4.5898285938 0.2529061904 -15.7662048897
0.6963000000 0.0001888494 -0.0005380500 0.5088914666 -1.8449057279 -2.7289064028 4.9468763592 13.9540130720
0.3188000000 -0.0000972509 -0.0020403603 0.5484078881 1.0202646083 -1.3248076648 -5.5081469231 -7.8700116705
0.1410000000 0.0000174327 0.0000280176 0.1564441373 0.7094666949 1.5940922166 2.4081698078 2.4930828604
})
(type: [ am = p am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
7050.0000000000 0.0000501843 0.0000141163 0.0000181269 0.0000343626 0.0000431562 -0.0000168312
1669.0000000000 0.0004453650 0.0001249327 0.0001604674 0.0002030576 0.0003915534 0.0010468239
542.1000000000 0.0025479973 0.0007189150 0.0009241383 0.0017464185 0.0022272548 -0.0006566252
207.1000000000 0.0110155237 0.0031134821 0.0040094773 0.0051788717 0.0100621568 0.0263999920
87.5200000000 0.0378489764 0.0108614712 0.0140247320 0.0270262790 0.0358198284 -0.0074028644
39.6100000000 0.1043551933 0.0305213102 0.0396644574 0.0507693530 0.1103683120 0.3136204422
18.7800000000 0.2193351507 0.0664087472 0.0883804352 0.1933756399 0.2543344739 -0.1654503349
9.1300000000 0.3346153067 0.1043355196 0.1325313304 0.1015726509 0.2443973897 1.4001683062
4.5160000000 0.3267710198 0.1104812265 0.1419961135 0.4355928575 0.2358457918 -3.2086471959
2.2450000000 0.1481530147 -0.0132896226 -0.0015187742 -0.9855080991 -2.7521614546 2.3807653248
1.0650000000 0.0192586150 -0.2782215414 -0.8792271203 -0.8432102702 3.6399411687 0.3934685502
0.4885000000 0.0005519368 -0.4348655739 -0.2138306098 2.0212689369 -1.8330864728 -2.6009069031
0.2166000000 0.0001769246 -0.3375752082 0.7842254682 -0.6689038659 -0.3384327962 3.0085629067
0.0925500000 -0.0000168555 -0.0952338864 0.2866213418 -0.4774954241 0.7948349959 -1.6036842506
})
(type: [ (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
7.6327000000 0.0279057812 -0.0032892550 0.1676810338 -0.3057159963
3.2876000000 0.0293683713 -0.0701912500 -0.3544373832 2.1425138225
1.4160000000 0.3030943731 0.9235793714 -1.0971993323 -2.5756255466
0.6099000000 0.5422799268 -0.0616176285 2.1174743786 1.7790133133
0.2627000000 0.2640015406 -0.8648720787 -1.3378829097 -0.7536399250
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
3.0582000000 -0.0106008451 -0.0650931608 0.1951425226
1.5292000000 0.3045834586 1.0317176744 1.2956483139
0.7647000000 0.5423443185 -0.1626238111 -2.4275851350
0.3824000000 0.2771750082 -0.8090098164 1.5515857363
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
1.8450000000 0.2029520512 0.8130394152
0.9657000000 0.5299781751 0.1918023911
0.5055000000 0.3891674581 -0.9147568308
})
(type: [ (am = h puream = 1) ]
{exp coef:0} = {
1.8743000000 0.3556937017
0.8871000000 0.7339578718
})
]
)
|