/usr/share/mpqc/3.0.0-alpha/basis/aug-ano-pv5z.kv is in mpqc3-data 0.0~git20170114-4ubuntu1.
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: "aug-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: "aug-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} = {
4785.0000000000 0.0000603202 0.0000888731 0.0001287054 -0.0002489594 0.0004237291 0.0000866188
717.0000000000 0.0004684960 0.0006940214 0.0011477678 -0.0007030487 -0.0000296884 -0.0053714186
163.2000000000 0.0024501467 0.0036433971 0.0050983801 -0.0137663097 0.0274003498 0.0150430764
46.2600000000 0.0101553835 0.0157462582 0.0306322873 -0.0185762765 0.0215248184 -0.2851492135
15.1000000000 0.0350340333 0.0614009646 0.1396159611 -0.5945112059 1.8146668459 -1.0223804408
5.4370000000 0.0992797341 0.2414755099 0.8577184034 -0.9840908081 -3.0979611106 3.4346986158
2.0880000000 0.2173871303 0.6119641323 0.0948064849 3.1172766756 1.8163549899 -5.5683783772
0.8297000000 0.3472682167 0.1961329442 -1.7250507963 -2.4240004919 0.8573834262 6.5312285184
0.3366000000 0.3445578174 -0.7241642195 0.6542597771 0.0021405025 -2.4327185306 -5.4105895572
0.1369000000 0.1180260053 -0.3382814814 0.5294200911 0.7707466645 1.5016822154 2.3276254435
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
0.3870000000 0.2887442887 -0.6544173279 1.0892573312 -1.2720283227 0.6916311759
0.9840000000 0.5361342449 -0.2752308724 -1.0748098626 2.4864927160 -1.7887170329
2.4980000000 0.2659020077 0.7993083208 -0.4123134143 -2.2892667003 2.7749221415
6.3420000000 0.0400702083 0.2671653126 0.9713673990 0.7039561237 -3.0675700847
16.1040000000 0.0090385832 0.0310059145 0.1050392237 0.5386846176 1.8716664771
})
(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} = {
0.7470000000 0.4658429191 -0.8956231766 1.0224239611 -0.6081095733
1.9100000000 0.5373435960 0.3730222552 -1.6203220362 1.4292898399
4.8860000000 0.1309421923 0.6577819063 0.8765420767 -1.9686570427
12.4980000000 0.0071350958 0.0498873120 0.3815063612 1.5114613981
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
1.2920000000 0.6769633751 -0.9286561151 0.6144702434
3.4620000000 0.4253291849 0.8946330462 -1.2535460615
9.2760000000 0.0278376149 0.2965461761 1.2687292571
})
(type: [ (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1} = {
2.2360000000 0.8827574696 -0.7045376451
6.5860000000 0.2134530687 1.1090860341
})
]
lithium: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
70681.0000000000 0.0000053236 0.0000008577 0.0000080423 0.0000113754 0.0000133726 -0.0000209168 0.0000307249 -0.0000136288
13594.0000000000 0.0000323747 0.0000052160 0.0000490032 0.0000711224 0.0000756946 -0.0000571933 0.0000413500 0.0004599155
3100.4000000000 0.0001879603 0.0000302866 0.0002842400 0.0004007287 0.0004841401 -0.0008459870 0.0013112041 -0.0012135250
826.4600000000 0.0008712219 0.0001404588 0.0013265029 0.0019573837 0.0020812427 -0.0013052049 0.0005694015 0.0156446677
253.7600000000 0.0033836700 0.0005463525 0.0052097294 0.0076139906 0.0100559267 -0.0202280140 0.0353168866 -0.0293954348
88.4510000000 0.0110494789 0.0017918661 0.0179882238 0.0317360413 0.0433918007 -0.0456523704 0.0920510596 0.5963085974
34.4930000000 0.0305955979 0.0050120074 0.0571974540 0.1342152644 0.3064786070 -0.7994118554 1.9405836032 1.4487309942
14.8310000000 0.0707341149 0.0118375809 0.1782581630 0.5842277718 1.0575659060 -0.7272323579 -3.4329193931 -7.2067757693
6.9299000000 0.1345557163 0.0233643106 0.4298970134 0.6806090172 -1.0991833942 4.0200032056 -0.1716390596 13.7579211943
3.4678000000 0.2069615916 0.0381867406 0.4508658275 -1.0050986104 -1.6674164866 -3.1561321027 7.3842000977 -16.0269330096
1.8316000000 0.2591085719 0.0536789047 -0.0371352880 -0.9446701880 1.4917681732 -1.5669083716 -10.5309581779 10.6084674272
1.0063000000 0.2468661567 0.0683347487 -0.4872120993 0.0956130540 1.0852292354 2.1790360368 5.7720939757 -1.7384047868
0.5667800000 0.1501162290 0.0749471861 -0.4627668553 0.6974621916 0.1520570200 1.8166726240 -0.3945773361 -1.4966348572
0.3225400000 0.0448272557 0.0592482250 -0.1601289845 0.3954658405 -1.5061905620 -2.1618556567 0.9447298037 -1.5432018901
0.1827700000 0.0035755287 -0.0260749945 -0.0116236967 0.0714809958 -0.0611003405 -0.2259841853 -2.4219434849 2.7599091391
0.1016400000 0.0003154609 -0.2220432444 0.0661103743 -0.0818978750 -0.0181349175 -0.0660830351 1.0094020147 -0.8701902127
0.0546660000 0.0005366220 -0.4734515860 0.1351321962 -0.1598815920 0.3021729801 0.3161466055 -0.2754822034 0.4271088173
0.0280250000 0.0004574244 -0.3620754465 0.1047064237 -0.1282750162 0.1814749968 0.1954713356 0.3772651552 -0.5186775371
0.0134970000 0.0000471593 -0.0407343934 0.0116751457 -0.0141083238 0.0273741137 0.0326628905 0.0020639629 -0.0361456500
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
28.5000000000 0.0189870192 0.0274718905 0.1124612751 0.3162589471 1.1280341361
6.6400000000 0.3141072757 0.3090978049 0.8015336710 0.6995794345 -1.1341546597
1.9200000000 0.6617276623 0.3225036171 -0.3594255253 -1.8642834564 0.6920532148
0.7700000000 0.0886066288 -0.3787691725 -0.7531033562 1.8134722403 0.2690132620
0.3200000000 0.1156570486 -0.4329780841 0.3499336264 -0.2765585174 -1.1913746458
0.1500000000 -0.0647171322 -0.2896095144 0.3670521392 -0.2623297591 0.8833536736
0.0660000000 0.0269408101 -0.1054598002 0.1710991422 -0.2974715581 -0.0850869764
0.0250000000 -0.0074775714 -0.0091887916 0.0076593782 0.0140593580 0.0686341132
})
(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: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
139330.0000000000 0.0000048137 0.0000008966 -0.0000013388 -0.0000023477 0.0000037276 -0.0000051278 -0.0000071915 0.0000074562
26774.0000000000 0.0000292950 0.0000054566 -0.0000081449 -0.0000141798 0.0000236440 -0.0000338900 -0.0000248050 0.0000389958
6112.0000000000 0.0001696534 0.0000316042 -0.0000472010 -0.0000829446 0.0001301583 -0.0001772468 -0.0002814196 0.0002730875
1632.9000000000 0.0007837988 0.0001460945 -0.0002181144 -0.0003795818 0.0006406107 -0.0009282333 -0.0005699577 0.0010276922
503.0300000000 0.0030296604 0.0005655948 -0.0008456379 -0.0014952726 0.0023250026 -0.0031554392 -0.0058672641 0.0053910240
176.0300000000 0.0098688962 0.0018504976 -0.0027700998 -0.0048605475 0.0086388333 -0.0132523782 -0.0054482094 0.0154120998
68.9390000000 0.0273158639 0.0051738207 -0.0078018669 -0.0144204026 0.0234898313 -0.0356672415 -0.0913142933 0.0963248572
29.7680000000 0.0638839975 0.0123588076 -0.0188623345 -0.0359876745 0.0814968762 -0.1609112603 -0.0880006167 0.3181154659
13.9630000000 0.1244755331 0.0250209252 -0.0393045895 -0.0871441173 0.1680416821 -0.2911917478 -0.9366100732 0.6903908414
7.0090000000 0.1997945143 0.0429921324 -0.0686639537 -0.1382935381 0.3377403999 -0.4600993341 1.6974428574 -1.8743594399
3.7094000000 0.2603024986 0.0640053839 -0.1016445025 -0.1829728831 -0.1638669536 1.0328625887 -4.1350297654 5.1577458052
2.0392000000 0.2561166821 0.0837309282 -0.1297877375 -0.0817135288 0.8274445094 -3.5414757242 9.4356801845 -18.7813988658
1.1472000000 0.1602238386 0.0886004427 -0.1780941635 -0.7363775005 -0.6558509371 11.8030339735 -7.6930117651 40.5550416056
0.6507000000 0.0479172446 0.0453339368 -0.0475153109 1.7380426984 -5.1807336336 -15.8742871237 -6.4187734764 -54.9595530784
0.3665900000 0.0040519380 -0.0774503499 0.7220485366 1.6466592777 8.1394228171 7.6224133390 21.0685747004 51.6451006261
0.2021100000 0.0000553253 -0.2769575079 0.9937821087 -2.5871369088 -2.4710505273 3.2819422486 -23.1512588907 -34.9796699514
0.1074200000 -0.0000146329 -0.4532396096 -0.3707388758 -0.8177852807 -2.5089872856 -5.7358032246 14.0607208250 16.4487655602
0.0542310000 0.0000054228 -0.3011584730 -0.9022620370 1.2514210442 1.4779107748 2.1040068560 -4.2397534901 -4.4596327112
0.0256190000 0.0000000000 -0.0331442139 -0.1163652246 0.1967978149 0.2506885901 0.1687443682 0.1575483897 0.2826188809
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
45.7000000000 0.0005598577 0.0008862347 -0.0037643606 0.0051849587 0.0770943415
10.6000000000 0.0049230936 0.0306619409 -0.0302839676 -0.0694753561 0.4689486878
3.0800000000 0.0198821499 0.0319215308 -0.1481770846 0.4880981140 0.9516501797
1.2300000000 0.0394518210 0.6318969865 -0.6822660906 0.9131865156 -1.7662091892
0.5100000000 0.1630602437 -0.7695651726 3.0328798318 -0.7282295666 1.1858181709
0.2300000000 0.4111578133 -1.1409907121 -3.3641540334 0.2856093748 0.1293865025
0.1060000000 0.4429347544 1.4919251865 1.1669505204 -0.0564985894 -1.0660273492
0.0400000000 0.0688676460 0.0091265087 0.2854324028 -0.3237785263 0.8537218269
})
(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: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
210400.0000000000 0.0000058419 0.0000011280 -0.0000015351 -0.0000021841 -0.0000034313 -0.0000036753 -0.0000057447 -0.0000202005
31500.0000000000 0.0000454146 0.0000087607 -0.0000119591 -0.0000156486 -0.0000165650 -0.0000356254 -0.0000969234 0.0000239796
7169.0000000000 0.0002389029 0.0000461618 -0.0000627416 -0.0000925055 -0.0001642701 -0.0001339592 -0.0001129120 -0.0012552519
2030.0000000000 0.0010079000 0.0001945321 -0.0002659788 -0.0003342419 -0.0002650448 -0.0008667998 -0.0027041986 0.0023532387
662.5000000000 0.0036529523 0.0007082580 -0.0009617749 -0.0014757077 -0.0029385495 -0.0018094999 0.0001869577 -0.0270215113
239.2000000000 0.0117622375 0.0022868566 -0.0031373676 -0.0037751752 -0.0018059957 -0.0115654349 -0.0412446501 0.0469196822
93.2600000000 0.0338828343 0.0067020510 -0.0091280070 -0.0148890871 -0.0338745619 -0.0175463280 0.0069192909 -0.4161483479
38.6400000000 0.0857657026 0.0174065585 -0.0242286332 -0.0286407849 -0.0064035646 -0.1249642381 -0.5477804544 0.2090913713
16.7800000000 0.1830564860 0.0397538712 -0.0553385063 -0.1044732073 -0.2872664522 -0.1471585281 0.1440805521 -3.1632400588
7.5410000000 0.3066666848 0.0754768239 -0.1084827858 -0.1095604096 0.1881005838 -0.4530702707 -2.3417920777 8.6590956772
3.4820000000 0.3420305417 0.1190307837 -0.1748472341 -0.4185836888 -1.4944364811 -0.5434071167 7.1860213790 -10.9028216198
1.6180000000 0.1767395801 0.1092470410 -0.1931910158 0.1397561796 2.8349011974 4.2335247737 -8.4851725393 8.2871752209
0.6270000000 0.0161871420 -0.1137525839 0.7386485838 2.4048770835 -0.5146516720 -8.3448176958 7.6013202046 -5.5372446557
0.2934000000 -0.0072524426 -0.4401365807 0.9645338675 -2.2319225539 -3.4466118722 9.5853054683 -6.1574402006 3.9306917586
0.1310000000 -0.0045661166 -0.4644885380 -0.8678854847 -0.8640371769 4.8050158396 -6.4542764763 3.2834314225 -1.9214720992
0.0581500000 -0.0017393129 -0.1275880120 -0.5839131756 1.4552578987 -2.3584382381 2.2622350603 -0.9964828716 0.5521645899
})
(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} = {
192.5000000000 0.0001348580 0.0001038119 0.0003902960 0.0010432059 -0.0004745444 -0.0022978230
45.6400000000 0.0011483171 0.0010029799 0.0035872388 0.0044632512 -0.0125079161 0.0656933598
14.7500000000 0.0058428161 0.0044027503 0.0181614638 0.0536397550 -0.0322660121 -0.0326191252
5.5030000000 0.0210758283 0.0159590908 0.0780319375 0.1261613927 -0.3228209435 1.3674785441
2.2220000000 0.0611960100 0.0140866372 0.2455412103 0.9883454010 -1.2009482498 -1.9572648008
0.9590000000 0.1530710758 0.2036025057 0.8296400722 -0.3582380255 3.4493678505 0.8698728556
0.4314000000 0.2943241620 0.6405610720 -0.2884445870 -1.6849406258 -3.8503887841 1.1976019004
0.1969000000 0.3642704356 0.0138043328 -1.1575765444 2.1153985181 1.9924574009 -3.0559032713
0.0903300000 0.2585309237 -0.7239551491 0.5478083327 -0.6270340821 0.2158482623 3.3635251502
0.0406600000 0.0717053089 -0.2861547514 0.3678908853 -0.3782393192 -0.7195314073 -1.7311948671
})
(type: [ (am = d puream = 1) (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 coef:4} = {
2.8860000000 0.0124864080 -0.0449367119 0.0239872609 0.5114007942 1.7991082513
1.2670000000 0.0646166325 0.2536987512 1.0910574583 0.6936173357 -2.8142283350
0.5560000000 0.3523640343 0.8659247615 -0.5441996671 -2.0711740047 2.5895482781
0.2440000000 0.4918272179 -0.4512434011 -0.8762087198 2.3187251759 -1.7468009538
0.1070000000 0.2485231797 -0.5802493218 0.9725242151 -1.2837434837 0.7066428553
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
1.6510000000 0.0261389620 0.0986227066 0.8586208597 1.6513523183
0.8002000000 0.3045935590 0.9671825673 0.0325467975 -2.8218808784
0.3878000000 0.4978105649 -0.3135328458 -1.3776501444 2.5983744695
0.1880000000 0.3215186188 -0.6475087045 1.1589533737 -1.2691926794
})
(type: [ (am = g puream = 1) (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
1.6469000000 0.0446231359 0.4031538746 1.4962041528
0.7889000000 0.5027625427 0.8256684228 -1.8469383669
0.3779000000 0.5581657018 -1.0631117568 0.9805088846
})
(type: [ (am = h puream = 1) (am = h puream = 1) ]
{exp coef:0 coef:1} = {
1.3120000000 0.3025265529 1.2023555335
0.5806000000 0.7909350174 -0.9547790018
})
]
carbon: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
312100.0000000000 0.0000056888 0.0000011517 0.0000014615 -0.0000020729 -0.0000031477 -0.0000032996 -0.0000047748 -0.0000197687
46740.0000000000 0.0000442122 0.0000089401 0.0000113996 -0.0000152244 -0.0000156663 -0.0000334194 -0.0000909435 0.0000266412
10640.0000000000 0.0002324717 0.0000471067 0.0000596491 -0.0000868378 -0.0001494472 -0.0001167391 -0.0000692407 -0.0012348019
3013.0000000000 0.0009813983 0.0001985305 0.0002537561 -0.0003294248 -0.0002585570 -0.0008243816 -0.0025837975 0.0024068882
982.8000000000 0.0035604858 0.0007241159 0.0009151876 -0.0013722962 -0.0026575875 -0.0015100218 0.0009547468 -0.0266105367
354.8000000000 0.0114692478 0.0023373031 0.0029997075 -0.0037795404 -0.0018759069 -0.0110709337 -0.0396672300 0.0487658835
138.4000000000 0.0330825487 0.0068692727 0.0086902270 -0.0136469384 -0.0302307890 -0.0132108973 0.0202757260 -0.3980917263
57.3500000000 0.0842739202 0.0179514067 0.0233513200 -0.0290748718 -0.0061619247 -0.1142804976 -0.5080391922 0.2797015204
24.9200000000 0.1811835207 0.0414871653 0.0532963047 -0.0939954201 -0.2520314519 -0.1034115598 0.2449113051 -3.5159525078
11.2300000000 0.3058726609 0.0795916232 0.1071421338 -0.1270398885 0.1288034970 -0.5615180443 -2.8437840439 9.0406123538
5.2010000000 0.3428996624 0.1258249776 0.1715711640 -0.3903688653 -1.4325407433 -0.5737863671 7.9579018951 -11.0576236701
2.4260000000 0.1785203122 0.1068228241 0.1810506143 0.0967690209 2.6528636797 4.5498793600 -9.2158702333 8.3789883710
0.9673000000 0.0174929057 -0.1286390810 -0.6618969705 2.1831711797 -0.0348171778 -8.4613019809 7.9004211897 -5.4585925983
0.4456000000 -0.0069381856 -0.4398665406 -0.9413749900 -1.6380587319 -3.9353705417 9.2208285366 -6.0632430991 3.6842016648
0.1971000000 -0.0045895926 -0.4462025705 0.6896636760 -1.3661318212 4.9042834374 -6.0035420841 3.1649970777 -1.7713907305
0.0863500000 -0.0017787010 -0.1396137797 0.7079116403 1.6011180083 -2.2872025967 2.0430806823 -0.9458627853 0.5031511309
})
(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} = {
295.2000000000 0.0001429536 0.0001641191 0.0004063047 0.0009397883 0.0006002883 -0.0021478727
69.9800000000 0.0012248907 0.0015014551 0.0035967590 0.0040845244 0.0114355905 0.0499797781
22.6400000000 0.0063589239 0.0073769191 0.0197550020 0.0492238842 0.0411203149 -0.0500160430
8.4850000000 0.0235884808 0.0284317842 0.0825675839 0.1228405403 0.3290664070 1.2612475966
3.4590000000 0.0696777731 0.0674783713 0.2839301676 0.9228986017 1.2113348166 -1.6443709112
1.5040000000 0.1664464149 0.2857591239 0.7770202553 -0.2970067634 -3.3691504700 0.3265124567
0.6783000000 0.2933564994 0.5586074972 -0.4435648258 -1.7344708312 3.5592133501 1.8466197935
0.3087000000 0.3512017572 -0.0898519083 -1.0388445407 2.0684880734 -1.6108211241 -3.5626983144
0.1400000000 0.2563868868 -0.6546507650 0.5735322398 -0.4752113371 -0.4580909637 3.5950080601
0.0617800000 0.0762169165 -0.2604391448 0.3869815823 -0.4799768181 0.7847358941 -1.7839998763
})
(type: [ (am = d puream = 1) (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 coef:4} = {
4.5420000000 0.0143889048 -0.0007635462 0.0329025262 0.5433712254 1.7645829072
1.9790000000 0.0713989420 0.3071489206 1.0671262673 0.6109119456 -2.7664786112
0.8621000000 0.3570760522 0.7744199003 -0.5964927180 -2.0113874069 2.5477263190
0.3756000000 0.4803354126 -0.4242215167 -0.8310168604 2.2672346754 -1.7378334331
0.1636000000 0.2551176449 -0.5691046088 0.9849265660 -1.2369200642 0.7203124381
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
2.6310000000 0.0334914704 0.1476386115 0.8817952471 1.5718771270
1.2550000000 0.2983549101 0.8935983013 -0.0446942153 -2.7033458804
0.5988000000 0.5168396500 -0.2771601877 -1.2681112027 2.4997402275
0.2857000000 0.3061330041 -0.6534149141 1.1112168265 -1.2319910573
})
(type: [ (am = g puream = 1) (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
2.6520000000 0.0480375890 0.3987629426 1.3892501052
1.2040000000 0.5014664999 0.7936111063 -1.6281930662
0.5470000000 0.5708020365 -1.0097234824 0.8650576557
})
(type: [ (am = h puream = 1) (am = h puream = 1) ]
{exp coef:0 coef:1} = {
2.0300000000 0.3184734504 1.1554862315
0.8511000000 0.7884877152 -0.9026964566
})
]
nitrogen: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
432300.0000000000 0.0000055936 0.0000012377 0.0000013948 -0.0000020720 -0.0000030819 -0.0000032165 -0.0000045523 -0.0000195031
64700.0000000000 0.0000435138 0.0000096146 0.0000109071 -0.0000153930 -0.0000160444 -0.0000338076 -0.0000860944 0.0000274360
14720.0000000000 0.0002289287 0.0000507014 0.0000569709 -0.0000865570 -0.0001449299 -0.0001111344 -0.0000676266 -0.0012226315
4170.0000000000 0.0009650171 0.0002132911 0.0002427563 -0.0003344672 -0.0002751497 -0.0008429306 -0.0024431867 0.0024213605
1361.0000000000 0.0035021904 0.0007784594 0.0008723951 -0.0013599801 -0.0025504308 -0.0013798125 0.0008711631 -0.0263358794
491.2000000000 0.0112921163 0.0025133634 0.0028758828 -0.0038661715 -0.0021954854 -0.0114235543 -0.0374286397 0.0490915043
191.6000000000 0.0326128265 0.0073972480 0.0082942767 -0.0134702049 -0.0287697195 -0.0113165958 0.0198211207 -0.3914445665
79.4100000000 0.0832972697 0.0193531475 0.0225053948 -0.0300266728 -0.0094239217 -0.1174824786 -0.4761102841 0.3005390506
34.5300000000 0.1799856581 0.0449446014 0.0512093507 -0.0925316587 -0.2382691478 -0.0856959751 0.2291012223 -3.6254125484
15.5800000000 0.3050035130 0.0862431945 0.1048497272 -0.1386151714 0.0832092990 -0.6528784300 -2.9173998736 9.2016937975
7.2320000000 0.3411593117 0.1342509759 0.1644290239 -0.3824931664 -1.3710428890 -0.4187276033 8.1774517120 -11.2182222002
3.3820000000 0.1774826966 0.1060138777 0.1710558715 0.0954870859 2.5810791286 4.4851289366 -9.5705174470 8.5439527523
1.3690000000 0.0198840957 -0.1384170918 -0.5974990638 2.0469664361 0.0968375206 -8.3391702761 8.1351772548 -5.5066230648
0.6248000000 -0.0012466348 -0.4391267599 -0.9102913983 -1.3008336658 -4.0287287838 8.9280058942 -6.1026419263 3.6135701270
0.2747000000 0.0010401039 -0.4313435809 0.5234527691 -1.6185133598 4.8372747145 -5.7454717061 3.1617584061 -1.7207217583
0.1192000000 -0.0001265860 -0.1507186091 0.8200521439 1.6426401236 -2.2039434874 1.9300932277 -0.9385489017 0.4852276204
})
(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} = {
415.9000000000 0.0001493515 0.0001951090 0.0004162692 0.0009016300 -0.0006249207 -0.0019685264
98.6100000000 0.0012852780 0.0017570195 0.0036425363 0.0040954053 -0.0118711775 0.0457892422
31.9200000000 0.0067482167 0.0089935233 0.0208775389 0.0480819490 -0.0457617977 -0.0443970554
12.0000000000 0.0254480843 0.0354017865 0.0869515693 0.1283088160 -0.3562368746 1.2206036747
4.9190000000 0.0755743643 0.0970144192 0.3019545646 0.9013030259 -1.1547650339 -1.5742160404
2.1480000000 0.1758280802 0.3245625207 0.7481924316 -0.3256054513 3.2831080289 0.2112522568
0.9696000000 0.2962195131 0.5070185471 -0.5366016092 -1.6891698959 -3.4280958539 1.9721593074
0.4399000000 0.3441099405 -0.1454680195 -0.9624028745 2.0246910129 1.4831621611 -3.6158304234
0.1978000000 0.2503615773 -0.6201309743 0.5979386882 -0.4243076847 0.5209446353 3.5698257300
0.0860300000 0.0763931220 -0.2427206584 0.3812822948 -0.5129473213 -0.7993514305 -1.7612418024
})
(type: [ (am = d puream = 1) (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 coef:4} = {
6.7170000000 0.0153532025 0.0133057296 0.0280163389 0.5086756817 1.7408013442
2.8960000000 0.0739377840 0.3124701443 1.0297739592 0.6662882420 -2.6720395884
1.2490000000 0.3611149183 0.7432037059 -0.5367096541 -2.0233933367 2.4115936487
0.5380000000 0.4784008261 -0.3999521968 -0.8723528615 2.2213626995 -1.6265311125
0.2320000000 0.2548775648 -0.5773663132 1.0053129855 -1.1937389538 0.6751441419
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
3.8290000000 0.0362155054 0.1665181516 0.8760985939 1.5079509019
1.7950000000 0.3001021670 0.8611596087 -0.0651467061 -2.5646168934
0.8410000000 0.5301475088 -0.2702897639 -1.2039170404 2.3669287403
0.3940000000 0.2930118022 -0.6479013550 1.0802470627 -1.1803492972
})
(type: [ (am = g puream = 1) (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
3.8560000000 0.0492267794 0.3952178799 1.3422050891
1.7020000000 0.5020196858 0.7803367978 -1.5274647503
0.7510000000 0.5770638437 -0.9848839528 0.8100566691
})
(type: [ (am = h puream = 1) (am = h puream = 1) ]
{exp coef:0 coef:1} = {
2.8750000000 0.3280540138 1.1322865936
1.1700000000 0.7867803891 -0.8778775458
})
]
oxygen: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
570800.0000000000 0.0000055477 0.0000012619 -0.0000014956 -0.0000021012 -0.0000029655 -0.0000029095 -0.0000037396 -0.0000198319
85480.0000000000 0.0000431114 0.0000097942 -0.0000116782 -0.0000153046 -0.0000147549 -0.0000336853 -0.0000838556 0.0000353572
19460.0000000000 0.0002266878 0.0000516082 -0.0000610049 -0.0000883188 -0.0001407929 -0.0000929766 -0.0000244064 -0.0012587457
5512.0000000000 0.0009564461 0.0002173760 -0.0002599662 -0.0003296065 -0.0002431714 -0.0008633138 -0.0024324732 0.0026988059
1798.0000000000 0.0034734806 0.0007936340 -0.0009359729 -0.0014011800 -0.0025028798 -0.0010088651 0.0017155858 -0.0272615502
648.9000000000 0.0111986722 0.0025636828 -0.0030816635 -0.0037697061 -0.0017543790 -0.0119513211 -0.0376334394 0.0544014416
253.1000000000 0.0323902914 0.0075540649 -0.0089188306 -0.0140318733 -0.0284097461 -0.0062262482 0.0328896082 -0.3984318603
104.9000000000 0.0828666917 0.0198252847 -0.0242145842 -0.0289525787 -0.0045223378 -0.1218457718 -0.4639793937 0.3984446226
45.6500000000 0.1795999151 0.0462226113 -0.0555592008 -0.0982062901 -0.2359277366 -0.0342438172 0.3601304508 -3.9161500686
20.6200000000 0.3052522946 0.0893623473 -0.1145275935 -0.1307408651 0.1015962191 -0.7677980771 -3.3485359032 9.4494309902
9.5870000000 0.3409416044 0.1383434619 -0.1828853636 -0.4339939687 -1.4572638531 -0.2753089004 8.7669703999 -11.2104615028
4.4930000000 0.1774628746 0.1051813067 -0.1753958431 0.1774273814 2.8423451082 4.3923045826 -10.0876422153 8.4267935656
1.8370000000 0.0204404056 -0.1491659047 0.7138602082 2.1865884409 -0.4290488202 -8.2627346783 8.4452057026 -5.3475911611
0.8349000000 -0.0011225476 -0.4435386388 0.8831041524 -1.8488602248 -3.5090199747 8.8803009927 -6.2467824736 3.4389351858
0.3658000000 0.0009015503 -0.4304217683 -0.7228450116 -1.0626335267 4.6357036614 -5.7952609875 3.2362562156 -1.6241282456
0.1570000000 -0.0001420890 -0.1392847630 -0.6629030498 1.4644411549 -2.2171415967 1.9811779654 -0.9650729208 0.4557269036
})
(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} = {
525.6000000000 0.0001676631 0.0002041327 0.0003397509 0.0006843904 0.0009935913 -0.0005457900
124.6000000000 0.0014434160 0.0017992162 0.0030597166 0.0038317526 0.0052915004 0.0245929873
40.3400000000 0.0075973289 0.0093549749 0.0166722601 0.0355035900 0.0554649162 -0.0039504135
15.1800000000 0.0288049894 0.0361612981 0.0691106710 0.1042174544 0.1791581245 0.7071733760
6.2450000000 0.0849419814 0.1047852150 0.2246739298 0.6142436051 1.1933633162 0.2194072056
2.7320000000 0.1899631174 0.3132249093 0.6387770416 0.3171424964 -2.0199001115 -2.6690093014
1.2270000000 0.2990478650 0.4464833129 -0.2244503728 -1.6688331268 0.5076005193 4.6041102472
0.5492000000 0.3320569965 -0.1162190220 -0.9381963502 0.8102833643 1.7331451013 -4.7953319404
0.2418000000 0.2419920846 -0.5398121590 0.1164759037 0.9250784484 -2.4389516044 3.3441776786
0.1025000000 0.0836337245 -0.3468451765 0.7366445524 -1.0382066053 1.2842763076 -1.2819193552
})
(type: [ (am = d puream = 1) (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 coef:4} = {
8.2530000000 0.0204005719 0.0253040956 0.0943618010 0.5481200762 1.7621355362
3.5970000000 0.0941369585 0.3693832197 0.9815184546 0.5686170604 -2.8043405390
1.5680000000 0.3964770909 0.6505508649 -0.5992759808 -2.0234530180 2.5780612971
0.6840000000 0.4553601610 -0.4116458521 -0.8182429901 2.2961931843 -1.7272546519
0.2980000000 0.2204057295 -0.5804977663 1.0088108958 -1.2343429139 0.6976296946
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
5.4300000000 0.0335228290 0.1564321424 0.6990216887 1.4426897612
2.4160000000 0.2884311646 0.7823313009 0.2321664477 -2.2187319772
1.0750000000 0.5272437798 -0.1129786260 -1.3229503122 1.9041726264
0.4780000000 0.3296607779 -0.7119434840 1.0652886078 -0.9174596342
})
(type: [ (am = g puream = 1) (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
5.2110000000 0.0591759242 0.3900279171 1.2722938861
2.1900000000 0.5015394495 0.7586244183 -1.3803264762
0.9200000000 0.5853240277 -0.9506697727 0.7259650378
})
(type: [ (am = h puream = 1) (am = h puream = 1) ]
{exp coef:0 coef:1} = {
3.8720000000 0.3158094938 1.1079367891
1.5050000000 0.8048772189 -0.8242767906
})
]
fluorine: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
723500.0000000000 0.0000055553 0.0000013026 -0.0000015812 -0.0000022138 -0.0000030341 0.0000025151 -0.0000035518 -0.0000199956
108400.0000000000 0.0000431553 0.0000101077 -0.0000123348 -0.0000157194 -0.0000146552 0.0000367989 -0.0000797845 0.0000398709
24680.0000000000 0.0002268882 0.0000532435 -0.0000644826 -0.0000939462 -0.0001449991 0.0000622450 -0.0000227648 -0.0012782537
6990.0000000000 0.0009575524 0.0002243797 -0.0002745547 -0.0003342040 -0.0002344373 0.0009963313 -0.0023158069 0.0028625682
2282.0000000000 0.0034684130 0.0008168400 -0.0009873826 -0.0015031547 -0.0025901950 0.0002816193 0.0016638056 -0.0277708790
824.6000000000 0.0111796501 0.0026390477 -0.0032450794 -0.0037496030 -0.0015488021 0.0143688877 -0.0357134846 0.0574519543
321.8000000000 0.0323122990 0.0077680664 -0.0094085579 -0.0152245069 -0.0295179695 -0.0037610552 0.0326050683 -0.4017488179
133.5000000000 0.0827520288 0.0204244295 -0.0255267961 -0.0282133583 -0.0018664288 0.1493186379 -0.4351287344 0.4563924274
58.1100000000 0.1797788209 0.0477452371 -0.0590490461 -0.1087379605 -0.2467714274 -0.0610033962 0.3640164265 -4.0835403468
26.2800000000 0.3053815712 0.0924737947 -0.1218295932 -0.1214794589 0.1148438357 1.0323431424 -3.4321625306 9.6345091011
12.2400000000 0.3399668832 0.1419594377 -0.1971062346 -0.5124105037 -1.6055054380 -0.3005012328 8.9526899439 -11.3236765167
5.7470000000 0.1764600805 0.1040673447 -0.1743133493 0.3089446266 3.4154513477 -3.6938473969 -10.3943000143 8.5047218888
2.3650000000 0.0211818400 -0.1571528412 0.8011339277 2.3171309573 -1.5618842102 7.7504340882 8.7999766882 -5.3923585775
1.0710000000 0.0002018100 -0.4453843402 0.8433478026 -2.4398848768 -2.3284146617 -8.7496670172 -6.5851945694 3.4570440332
0.4681000000 0.0020122870 -0.4282969012 -0.8437666826 -0.4179981518 4.0351162515 6.0030240582 3.4934286473 -1.6460643452
0.1994000000 0.0001869180 -0.1334229001 -0.5565415269 1.2155567456 -2.1130982804 -2.1476393117 -1.0678852551 0.4665664179
})
(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} = {
660.0000000000 0.0001782292 0.0002343478 0.0003963333 0.0007833209 0.0008931184 -0.0008453994
156.4000000000 0.0015363519 0.0020724260 0.0033830461 0.0037763934 0.0066667209 0.0271039096
50.6400000000 0.0081228434 0.0108206813 0.0196902218 0.0408246377 0.0517357319 -0.0184876513
19.0800000000 0.0309453269 0.0423975838 0.0773666944 0.1079050538 0.2213078001 0.7946591293
7.8720000000 0.0908038263 0.1252617416 0.2753925619 0.7431426467 1.1774895748 -0.1246796672
3.4490000000 0.1976141799 0.3557554018 0.6855839940 -0.0132316154 -2.4221006342 -2.0975345680
1.5450000000 0.3005906180 0.4260597814 -0.4987901060 -1.6641378963 1.4327553236 4.0779322161
0.6864000000 0.3264224499 -0.1962653428 -0.8786594053 1.4008139337 0.7673602245 -4.5741772983
0.2986000000 0.2396685264 -0.5539365531 0.4221537048 0.2968198705 -1.9617562892 3.4370351122
0.1245000000 0.0812040964 -0.2621522640 0.5253050835 -0.8343002415 1.2492503793 -1.4281842941
})
(type: [ (am = d puream = 1) (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 coef:4} = {
10.5730000000 0.0227863167 0.0338687384 0.1167997625 0.6020249801 1.7462541600
4.6130000000 0.1014701669 0.3932523552 0.9968811648 0.4299077088 -2.8283639040
2.0130000000 0.4106536839 0.6202921281 -0.7120617591 -1.9118110935 2.6472682688
0.8780000000 0.4490885351 -0.4439737872 -0.7000934288 2.2752511402 -1.8071535186
0.3830000000 0.2033548260 -0.5562789681 0.9713848611 -1.2559828417 0.7435711999
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
7.5630000000 0.0256618573 0.1447303060 0.6341924326 1.4468642958
3.3300000000 0.2724334030 0.7549044535 0.3588685083 -2.1495949366
1.4660000000 0.5429625432 -0.0382875062 -1.3803801068 1.7850409105
0.6450000000 0.3335503239 -0.7482248408 1.0661961267 -0.8399569901
})
(type: [ (am = g puream = 1) (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
6.7350000000 0.0662405654 0.4041895021 1.2460680656
2.7830000000 0.5083148884 0.7301306369 -1.3456559136
1.1500000000 0.5794720560 -0.9364647793 0.7125538868
})
(type: [ (am = h puream = 1) (am = h puream = 1) ]
{exp coef:0 coef:1} = {
5.0880000000 0.3095639692 1.0984600886
1.9370000000 0.8133345845 -0.8005818329
})
]
neon: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
902400.0000000000 0.0000055071 0.0000012963 -0.0000016115 -0.0000022775 -0.0000031420 0.0000019547 -0.0000036920 -0.0000197319
135100.0000000000 0.0000428234 0.0000100690 -0.0000125800 -0.0000158878 -0.0000151680 0.0000424196 -0.0000713756 0.0000414791
30750.0000000000 0.0002251425 0.0000530405 -0.0000657939 -0.0000974546 -0.0001503810 0.0000159393 -0.0000509575 -0.0012677647
8710.0000000000 0.0009501602 0.0002235171 -0.0002799674 -0.0003344131 -0.0002422786 0.0012234004 -0.0020300982 0.0028952964
2842.0000000000 0.0034471885 0.0008150559 -0.0010092608 -0.0015728981 -0.0026892122 -0.0008231571 0.0008483656 -0.0275608499
1026.0000000000 0.0111254471 0.0026368822 -0.0033183047 -0.0037161454 -0.0016066023 0.0184875609 -0.0309317210 0.0580285191
400.1000000000 0.0322056752 0.0077760083 -0.0096483669 -0.0160993168 -0.0307228721 -0.0190594849 0.0215730593 -0.3969962095
165.9000000000 0.0825989133 0.0204887059 -0.0261882549 -0.0275130195 -0.0017462153 0.1972121998 -0.3774528713 0.4873666390
72.2100000000 0.1799056420 0.0480966546 -0.0609198166 -0.1165045331 -0.2580587577 -0.2078230108 0.2704570395 -4.1814198540
32.6600000000 0.3060520777 0.0935683962 -0.1260413906 -0.1142361471 0.1096407679 1.4607828808 -3.2869773234 9.7436228170
15.2200000000 0.3401255836 0.1433560718 -0.2054888974 -0.5766119902 -1.7523261573 -1.2516770885 8.8492512244 -11.4213217533
7.1490000000 0.1761682211 0.1021558762 -0.1719233603 0.4176357130 4.0496871089 -2.4914340355 -10.5334664324 8.6358019949
2.9570000000 0.0210152784 -0.1629347673 0.8489060997 2.3884096204 -2.8024524730 6.7702358098 9.1812414627 -5.5389224898
1.3350000000 -0.0005074379 -0.4466761688 0.8131694566 -2.8381924646 -0.9689744100 -8.2953675919 -7.0674770861 3.5863584439
0.5816000000 0.0010578574 -0.4258625122 -0.9018536884 0.0497789435 3.2186609348 6.0811694353 3.9011259787 -1.7455412129
0.2463000000 -0.0000598773 -0.1303062944 -0.4999251190 1.0151612410 -1.8922787526 -2.2975386617 -1.2414822288 0.5077246324
})
(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} = {
815.6000000000 0.0001847705 0.0002554864 0.0004493493 0.0009085852 0.0005664185 -0.0021894504
193.3000000000 0.0015941093 0.0022579163 0.0036446948 0.0039377448 0.0126400773 0.0443472358
62.6000000000 0.0084653531 0.0118809731 0.0225385482 0.0475825171 0.0409475271 -0.0746052733
23.6100000000 0.0324030611 0.0469683102 0.0842160085 0.1216311614 0.3949445387 1.3964711955
9.7620000000 0.0947184717 0.1409600178 0.3254115521 0.9231187595 1.0904688829 -1.9771893126
4.2810000000 0.2026241681 0.3822895707 0.7220346106 -0.4938976550 -3.2013952321 0.8054293503
1.9150000000 0.3017949700 0.4049571155 -0.7514143816 -1.4687792863 3.3871279253 1.2062131330
0.8476000000 0.3231669759 -0.2487725194 -0.7615446193 1.9234694877 -1.6136734573 -2.7604629003
0.3660000000 0.2371385895 -0.5505559893 0.6360693889 -0.4608925716 -0.2894865651 2.9161023752
0.1510000000 0.0791176295 -0.2146565483 0.3274811852 -0.4798695759 0.6890912493 -1.5331395306
})
(type: [ (am = d puream = 1) (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 coef:4} = {
13.3170000000 0.0247658998 0.0402982534 0.1267033604 0.6291442890 1.7315525634
5.8030000000 0.1068765548 0.4048604855 1.0068865761 0.3520054136 -2.8222868152
2.5290000000 0.4205406931 0.5998920244 -0.7763614794 -1.8421110240 2.6654303271
1.1020000000 0.4449468742 -0.4614427842 -0.6269674161 2.2530306618 -1.8407926624
0.4800000000 0.1908712837 -0.5440313566 0.9456243716 -1.2625428880 0.7668164244
})
(type: [ (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1) ]
{exp coef:0 coef:1 coef:2 coef:3} = {
10.3560000000 0.0150197139 0.1285912659 0.5620675666 1.4666331804
4.5380000000 0.2512426801 0.7272499164 0.5040345495 -2.1054809647
1.9890000000 0.5756220779 0.0355862089 -1.4489027550 1.6859381316
0.8710000000 0.3197084635 -0.7908397235 1.0765425205 -0.7705760940
})
(type: [ (am = g puream = 1) (am = g puream = 1) (am = g puream = 1) ]
{exp coef:0 coef:1 coef:2} = {
8.3450000000 0.0743091485 0.4250209850 1.2275501049
3.4170000000 0.5189613487 0.6945765111 -1.3356484494
1.3990000000 0.5671524305 -0.9265264958 0.7160396082
})
(type: [ (am = h puream = 1) (am = h puream = 1) ]
{exp coef:0 coef:1} = {
6.5190000000 0.3013062530 1.0935605954
2.4470000000 0.8218554485 -0.7818016729
})
]
sodium: "aug-ano-pV5Z": [
(type: [ am = s am = s 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 coef:7 coef:8} = {
1918700.0000000000 0.0000027088 0.0000007485 0.0000001096 -0.0000009121 0.0000020318 0.0000033104 -0.0000031093 0.0000037487 0.0000041333
287270.0000000000 0.0000210578 0.0000058177 0.0000008513 -0.0000070597 0.0000161964 0.0000256365 -0.0000216309 0.0000302491 0.0000518195
65382.0000000000 0.0001107868 0.0000306178 0.0000044829 -0.0000373862 0.0000822300 0.0001358259 -0.0001334189 0.0001512748 0.0001238401
18523.0000000000 0.0004675326 0.0001292259 0.0000189095 -0.0001565746 0.0003647153 0.0005708687 -0.0004578485 0.0006903350 0.0013674862
6045.4000000000 0.0017013284 0.0004709708 0.0000689893 -0.0005770453 0.0012584616 0.0021220161 -0.0021958052 0.0023735706 0.0013086954
2184.2000000000 0.0055150746 0.0015307346 0.0002241299 -0.0018576772 0.0044759137 0.0070469285 -0.0055058525 0.0093463612 0.0213075233
853.1100000000 0.0162308700 0.0045412540 0.0006666895 -0.0056416232 0.0128756216 0.0234446589 -0.0269618618 0.0334727772 0.0298760068
354.6900000000 0.0431395655 0.0122699314 0.0018044493 -0.0153304856 0.0444201519 0.0817720804 -0.0807636628 0.1797929186 0.4575122486
155.3300000000 0.1014860232 0.0299593063 0.0044437500 -0.0400233925 0.1249910991 0.2854146311 -0.3800639019 0.5723750320 0.5787838054
71.2340000000 0.1993943053 0.0633214284 0.0094931411 -0.0843610950 0.2836318908 0.5009596172 -0.3287080998 0.1025924101 -0.5731817850
33.8350000000 0.3087288958 0.1142954747 0.0176175702 -0.1526565277 0.1687893908 0.0216342694 0.1943339680 -1.5655070058 -3.7437581972
16.3490000000 0.3067052305 0.1541637857 0.0247238067 -0.2121931436 0.1879554186 -0.8183593516 2.2520219876 -1.0802748646 8.7384967335
8.0082000000 0.1380881578 0.0893386546 0.0150685595 -0.1082608080 -0.8576041123 -1.2164771885 -2.2448534382 6.4163990752 -9.1168730632
3.6713000000 0.0228929786 -0.1659774106 -0.0326908857 0.9474074884 -1.2541324249 2.2502339785 -1.8846594262 -9.2642103965 5.4864600050
1.7118000000 0.0132950975 -0.4384235088 -0.0905675951 0.7691961289 1.9793554125 0.1357662428 5.5704754981 7.7709338894 -0.9777285085
0.7914700000 0.0136239139 -0.4291049529 -0.1275950087 -0.9537883808 0.4183235618 -2.4514089720 -5.0570794688 -3.4933856940 -2.4665241020
0.3547900000 0.0037386766 -0.1293167239 -0.1221995181 -0.5979001026 -1.2659024909 1.5866471852 1.6624092790 0.0170589026 3.0612237078
0.0906640000 0.0000744574 0.0004404906 0.2666159471 0.0463503976 -0.2173944226 0.5430686832 1.1160580952 1.7740623977 -3.2988491725
0.0443130000 -0.0000095217 -0.0024793949 0.5622463461 0.2186199667 0.4805607442 -0.7528198231 -1.2277114240 -1.6966755239 2.9557625881
0.0219480000 0.0000213706 0.0009626429 0.2797583349 0.0803942641 0.0010385908 0.1037431269 0.2944664223 0.6062152519 -1.2501735228
0.0108210000 -0.0000000000 -0.0004041010 0.0184296293 0.0098346670 0.0403416859 -0.0748371651 -0.1382660542 -0.2254866579 0.4402056337
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
3044.2000000000 0.0000281041 0.0000422160 0.0000810643 0.0001705498 0.0004261484
720.0200000000 0.0002565120 0.0003890985 0.0007599494 0.0018599012 0.0054581070
234.4200000000 0.0014177652 0.0022214108 0.0054132257 0.0144169183 0.0472556590
89.6660000000 0.0063916825 0.0103861947 0.0282309697 0.0840397550 0.2829475435
36.6950000000 0.0231537137 0.0369679527 0.0870027484 0.2033485416 0.4830181689
16.2560000000 0.0652632255 0.1020915363 0.1685283283 0.2884919316 0.2918476976
7.6593000000 0.1440680587 0.2601454501 0.4538962512 0.4535201994 -0.7504066354
3.7125000000 0.2426572379 0.4512333146 0.1284310951 -0.7009180576 -0.7301083653
1.7992000000 0.3066501458 0.1116118230 -0.7816244203 -0.7281775080 1.5800498259
0.8628800000 0.2855229241 -0.4765918702 -0.3019354624 1.0331128747 -0.4036084564
0.4010400000 0.1569049195 -0.4161525704 0.3966105069 0.2687574462 -0.7556783992
0.1775900000 0.0250223117 -0.0994949247 0.4222102677 -0.5603174688 0.3652765725
0.0807000000 0.0009795285 -0.0117309641 0.1529311136 -0.2954660717 0.2596841277
0.0367000000 0.0001433108 -0.0039101668 0.0385970841 -0.0625363874 0.0549477517
0.0167000000 0.0000382855 0.0002098260 -0.0009238694 -0.0004675888 0.0001917038
})
(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: "aug-ano-pV5Z": [
(type: [ am = s am = s 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 coef:7 coef:8} = {
3199100.0000000000 0.0000017950 0.0000004537 0.0000000875 0.0000000280 0.0000000647 0.0000001079 -0.0000002761 -0.0000002986 -0.0000010549
479000.0000000000 0.0000139619 0.0000035256 0.0000006788 0.0000002395 0.0000004376 0.0000010150 -0.0000013730 -0.0000048203 -0.0000010697
109010.0000000000 0.0000734120 0.0000185673 0.0000035808 0.0000010945 0.0000028009 0.0000039993 -0.0000131129 -0.0000063491 -0.0000599137
30878.0000000000 0.0003103614 0.0000783671 0.0000150794 0.0000055492 0.0000090621 0.0000243706 -0.0000226189 -0.0001327298 0.0000491343
10075.0000000000 0.0011295201 0.0002861870 0.0000552299 0.0000160017 0.0000457595 0.0000546379 -0.0002327859 0.0000012872 -0.0012069276
3637.9000000000 0.0036825151 0.0009325269 0.0001793639 0.0000691337 0.0000986988 0.0003149431 -0.0001605936 -0.0019323740 0.0015889442
1419.5000000000 0.0109059255 0.0027886571 0.0005388577 0.0001458382 0.0004763893 0.0004507351 -0.0026290311 0.0011733178 -0.0151241924
589.3500000000 0.0295927497 0.0076392459 0.0014701301 0.0005991665 0.0007145585 0.0028424267 -0.0001895250 -0.0195559418 0.0235698214
257.5300000000 0.0721890156 0.0193013967 0.0037442976 0.0009158278 0.0035949061 0.0023512994 -0.0216965460 0.0192385725 -0.1385120751
117.1700000000 0.1552649528 0.0438512116 0.0084806778 0.0037456039 0.0032847741 0.0187308234 0.0089402317 -0.1470860761 0.2338260432
54.7620000000 0.2727110821 0.0880107485 0.0173277526 0.0033686778 0.0191881365 0.0039131666 -0.1317144493 0.1907262690 -0.9773792479
26.2880000000 0.3344487713 0.1372739709 0.0271678567 0.0148488419 0.0022781446 0.0831753455 0.1289568226 -0.8294360366 1.8160612683
12.8600000000 0.2199168441 0.1369763624 0.0286523167 -0.0029418998 0.0566985070 -0.0623850426 -0.5304037430 1.3843680377 -5.3402433415
6.2604000000 0.0496777160 -0.0420379328 -0.0104754726 0.0203771606 -0.0772645697 0.1807160630 0.9164237824 -3.1337417310 10.7766111058
2.8514000000 0.0027601574 -0.3727875673 -0.0857137348 -0.0755531699 0.0766595026 -0.5093224705 -1.5952910598 7.8345384956 -11.8142362731
1.3058000000 0.0008143242 -0.5190147633 -0.1685480845 0.0331803053 -0.3929458012 0.5300559584 4.7995122417 -9.7822333958 8.2601270082
0.5833100000 0.0000760996 -0.2112102621 -0.1679893506 -0.2102622844 0.3208416733 -1.7492262740 -6.4244792807 6.1948821116 -3.8763427382
0.1684900000 0.0000236754 -0.0027817880 0.2258424187 0.8016900862 -2.1814872063 7.8950043647 7.4294153649 -4.2260329873 2.3426816255
0.0856460000 -0.0000206013 -0.0015874092 0.4543273830 -2.1344067866 8.0281545753 -12.3350302701 -8.0504744938 4.2357436031 -2.3413808338
0.0450770000 0.0000110197 0.0014257844 0.3902252847 4.2379493487 -8.9223905776 8.0314071207 4.4677722334 -2.3156645615 1.2877414460
0.0219340000 -0.0000027094 -0.0004188622 0.0848474620 -3.1742581236 3.1552746770 -2.0791489727 -1.0960111147 0.5720114887 -0.3204932562
})
(type: [ am = p am = p am = p am = p am = p ]
{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
4157.8000000000 0.0000236086 0.0000014167 0.0000039061 0.0000014520 0.0000163042
984.5300000000 0.0002172468 0.0000192918 0.0000156905 0.0000688093 0.0000009009
320.0900000000 0.0012060672 0.0000735564 0.0001961554 0.0000841286 0.0008076623
121.7300000000 0.0056165426 0.0004918818 0.0004329136 0.0017123351 0.0002168369
49.8920000000 0.0202158577 0.0012531758 0.0032640113 0.0015381739 0.0133340767
22.5420000000 0.0566094004 0.0051729321 0.0039187280 0.0188826703 -0.0014670357
10.7490000000 0.1300385273 0.0075510231 0.0236683494 0.0040796823 0.1050183896
5.2899000000 0.2291317315 0.0236912477 0.0089731778 0.0988265552 -0.0617605704
2.5996000000 0.3145207710 0.0120432758 0.0803719313 -0.0505301434 0.4347978918
1.2518000000 0.3051945012 0.0526499427 -0.0451687876 0.3132357791 -0.5678686169
0.5924600000 0.1535948983 -0.0400496777 0.2020922755 -0.4836112315 1.6390132456
0.2694100000 0.0225671416 0.0831726078 -0.4596326707 1.0870408401 -4.3516259970
0.1225000000 0.0011363648 -0.3817442098 0.7249486855 -3.4355394511 4.6882246710
0.0557000000 0.0002596972 0.3581759158 -2.3784454123 3.5419006518 -2.6915106230
0.0253000000 0.0000137661 -1.1158128170 1.7350264225 -1.3242744077 0.8061867006
})
(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: "aug-ano-pV5Z": [
(type: [ am = s am = s 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 coef:7 coef:8} = {
3652000.0000000000 0.0000018637 0.0000004848 0.0000001107 0.0000001496 0.0000002061 -0.0000003363 0.0000005214 0.0000006581 -0.0000016976
546800.0000000000 0.0000144635 0.0000037607 0.0000008591 0.0000011735 0.0000017153 -0.0000022639 0.0000030180 0.0000085715 -0.0000075385
124500.0000000000 0.0000761824 0.0000198230 0.0000045255 0.0000060873 0.0000081490 -0.0000145803 0.0000237840 0.0000186085 -0.0000829681
35440.0000000000 0.0003158235 0.0000821362 0.0000187694 0.0000257771 0.0000387797 -0.0000455533 0.0000543386 0.0002264326 -0.0001013841
11840.0000000000 0.0010973874 0.0002859936 0.0000652773 0.0000871996 0.0001118472 -0.0002274899 0.0003940892 0.0000981428 -0.0014793527
4434.0000000000 0.0033697098 0.0008789728 0.0002009878 0.0002783642 0.0004371204 -0.0004231901 0.0003900264 0.0030820444 -0.0000609606
1812.0000000000 0.0093221881 0.0024496839 0.0005592223 0.0007395216 0.0008870741 -0.0021680090 0.0040275471 -0.0012614076 -0.0164383137
791.5000000000 0.0237993006 0.0063137218 0.0014463830 0.0020256318 0.0033529949 -0.0024625545 0.0010791241 0.0285482438 0.0073177259
361.0000000000 0.0568193211 0.0154946400 0.0035455988 0.0046422363 0.0051703822 -0.0153280862 0.0302884759 -0.0202526951 -0.1400150239
169.5000000000 0.1224688474 0.0349794080 0.0080644174 0.0114436286 0.0200182998 -0.0108183653 -0.0025239503 0.2036470855 0.0392812528
81.6800000000 0.2238975904 0.0708150170 0.0163827254 0.0211580673 0.0208212154 -0.0832372229 0.1771019040 -0.1794672682 -0.7907814187
40.2800000000 0.3134446769 0.1194903762 0.0282463510 0.0414650571 0.0817328395 -0.0064290717 -0.1098458240 0.9986951792 0.8322038831
20.2500000000 0.2749772585 0.1489285897 0.0359202031 0.0435211688 0.0153743546 -0.2924930770 0.7296308630 -1.1737653296 -2.9900768241
10.2300000000 0.1105733913 0.0590936008 0.0151042507 0.0324891435 0.1376098151 0.3148888831 -1.1663428270 2.0744947898 9.6013340652
4.8020000000 0.0119196229 -0.2167547776 -0.0605797083 -0.1196504024 -0.4141414401 -0.1844575591 1.4431539151 -8.2809244225 -15.3748244262
2.3390000000 0.0006369322 -0.4769006098 -0.1508458697 -0.1600031964 0.2147209157 1.7412863330 -6.1808452623 15.2293387930 16.0842358075
1.1630000000 0.0004487692 -0.3764545105 -0.2197750427 -0.5198351326 -2.0927076649 -1.0568114048 12.6988673829 -15.8146763325 -12.0192212147
0.5882000000 -0.0000380120 -0.0870507052 -0.0945734630 0.1665990524 3.5139060536 -2.9456892236 -12.2612551247 9.8744207877 6.2071356677
0.2311000000 0.0000593791 -0.0012553997 0.4009096114 1.8438321393 -0.8395895195 6.1140050797 8.2825106589 -4.5305696534 -2.4927761063
0.1027000000 0.0000587612 0.0022755184 0.6098385480 -0.8377239912 -2.1906843624 -5.8986517845 -5.2409286023 2.2997263550 1.1956226374
0.0452100000 0.0000261452 0.0005978034 0.1812425049 -0.7637343604 1.8376241172 2.4830074680 1.7437331181 -0.6566819652 -0.3300884337
})
(type: [ am = p 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 coef:6} = {
2884.0000000000 0.0000638513 0.0000120316 0.0000142841 0.0000238482 0.0000678979 0.0000269578 -0.0000017597
683.2000000000 0.0005636181 0.0001068310 0.0001360566 0.0001942814 0.0001351730 0.0008112307 0.0017238451
222.0000000000 0.0031720969 0.0005990995 0.0007115502 0.0011880114 0.0033735428 0.0014171090 0.0001229862
84.8200000000 0.0132523750 0.0025255848 0.0032161490 0.0045989411 0.0032684875 0.0198442819 0.0427165302
35.8100000000 0.0433836653 0.0082911461 0.0097360249 0.0163337058 0.0496465827 0.0218001119 0.0097124159
16.2200000000 0.1120603104 0.0218958429 0.0278786993 0.0382089444 0.0125441898 0.2066852102 0.4915093566
7.7020000000 0.2180142757 0.0430126547 0.0498714840 0.0942740455 0.3550965184 0.0340093803 -0.3512482931
3.7410000000 0.3119431736 0.0633327606 0.0877150859 0.1110426891 -0.2245376033 0.7361831901 1.9839838263
1.8310000000 0.3169439761 0.0677298350 0.0707128658 0.1908934527 1.2594290015 -0.9242289136 -5.2632257380
0.8878000000 0.1789251325 0.0417050279 0.1575376271 0.1369332131 -2.8090222248 -1.2241996062 6.2784388427
0.3989000000 0.0309903761 -0.1302636002 -0.4809779769 -1.8722530557 1.6948368887 3.2564754944 -5.0407428286
0.1718000000 0.0001206735 -0.4202655134 -0.8348210970 1.6516107117 0.5752445478 -3.8465484098 3.5293457919
0.0729800000 0.0006689449 -0.4498469253 0.7149805981 0.2220423910 -1.7338125203 3.1445158973 -2.1440126202
0.0306900000 -0.0001263149 -0.1544401658 0.4861292394 -0.8236450391 1.1454069900 -1.4415536697 0.8295227636
})
(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: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
4465000.0000000000 0.0000017473 0.0000004656 0.0000001174 0.0000001544 0.0000002050 -0.0000003457 0.0000004738 0.0000006157
668500.0000000000 0.0000135737 0.0000036154 0.0000009117 0.0000012097 0.0000016473 -0.0000023141 0.0000029353 0.0000080285
152200.0000000000 0.0000714074 0.0000190351 0.0000047979 0.0000062868 0.0000082479 -0.0000150206 0.0000211525 0.0000174098
43300.0000000000 0.0002972583 0.0000791894 0.0000199725 0.0000266189 0.0000367054 -0.0000465539 0.0000559903 0.0002122198
14410.0000000000 0.0010382833 0.0002772083 0.0000698666 0.0000910384 0.0001174087 -0.0002370515 0.0003448376 0.0000945251
5394.0000000000 0.0031746754 0.0008481095 0.0002140131 0.0002872714 0.0004040679 -0.0004276750 0.0004573102 0.0029058009
2212.0000000000 0.0087324958 0.0023503240 0.0005925740 0.0007656291 0.0009612055 -0.0022524769 0.0034126648 -0.0012424918
968.1000000000 0.0223831560 0.0060769746 0.0015361117 0.0020810559 0.0030005173 -0.0024477229 0.0020435991 0.0267166987
441.2000000000 0.0537277388 0.0149870123 0.0037888605 0.0048593425 0.0059515591 -0.0160183300 0.0251655648 -0.0193379414
207.1000000000 0.1166496266 0.0340090641 0.0086522181 0.0118522651 0.0175729444 -0.0107202959 0.0056352762 0.1893239628
99.8000000000 0.2159801909 0.0695329490 0.0177881630 0.0226106642 0.0267914016 -0.0881864960 0.1458693476 -0.1668544193
49.2400000000 0.3095683722 0.1191292035 0.0310894097 0.0438278795 0.0691625792 -0.0080984289 -0.0443629792 0.9698027678
24.7400000000 0.2839493584 0.1538141850 0.0411817036 0.0504887020 0.0504674095 -0.3220368958 0.5983403530 -1.0446016696
12.4700000000 0.1222386085 0.0705550699 0.0198252138 0.0362050687 0.0844721410 0.3384022838 -0.9238805279 1.8329771776
5.7950000000 0.0141879507 -0.2133828413 -0.0661548777 -0.1270928643 -0.2942164003 -0.1669423517 1.0310610659 -8.1108542675
2.8300000000 0.0002860923 -0.4923372859 -0.1800558890 -0.2001256711 -0.1272357349 1.9646361142 -5.6520587428 15.4957487788
1.4070000000 0.0005809654 -0.3795188177 -0.2586501325 -0.5742179324 -1.5982515759 -1.7004680150 12.7286263638 -16.7042825028
0.6995000000 -0.0001362624 -0.0760495636 -0.0634512383 0.3055779655 3.5088049039 -2.8361090797 -14.1382867718 11.5759285273
0.3083000000 0.0001132324 0.0002918897 0.4458147628 1.7987083339 -1.0992028759 6.6175217647 10.5710586131 -5.9915409509
0.1385000000 0.0000583027 0.0022699407 0.5867135228 -0.8746987215 -2.2412805449 -6.1480922278 -6.1628328409 2.7376791546
0.0614500000 0.0000334760 0.0007920933 0.1713355928 -0.7519397942 1.9071138893 2.5299605620 1.9647977342 -0.7357170929
})
(type: [ am = p 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 coef:6} = {
3572.0000000000 0.0000598101 0.0000130489 0.0000157401 0.0000300647 0.0000622747 0.0000055239 0.0000131603
846.0000000000 0.0005290197 0.0001153341 0.0001447401 0.0002019631 0.0002981073 0.0009566555 0.0014399706
274.8000000000 0.0029927264 0.0006545621 0.0007900959 0.0015081670 0.0031335729 0.0004046009 0.0009258143
105.0000000000 0.0126203482 0.0027679638 0.0034753084 0.0048865849 0.0074308334 0.0237323244 0.0366668677
44.3500000000 0.0418585003 0.0092817285 0.0111422064 0.0217118781 0.0472059608 0.0072463936 0.0218232759
20.0800000000 0.1101297267 0.0248181605 0.0310943218 0.0416318863 0.0640128696 0.2590642982 0.4353276237
9.5300000000 0.2185746699 0.0504241847 0.0607776749 0.1359243112 0.3184040413 -0.0877414992 -0.2256549786
4.6340000000 0.3174806034 0.0744168937 0.0978451850 0.0944419852 0.0021590931 1.0771118343 1.6401694857
2.2800000000 0.3193308887 0.0817489341 0.0962138762 0.3177488798 0.8136898971 -1.9144370414 -4.9959531833
1.1160000000 0.1714145959 0.0308043509 0.1239530560 -0.2729942959 -2.7898873543 0.1928359176 6.5180991972
0.4991000000 0.0272061913 -0.1781724925 -0.6357752212 -1.6466097242 2.4751646946 2.4202626917 -5.8889281592
0.2254000000 -0.0003246500 -0.4297428083 -0.6602065294 1.9401066733 -0.3192064050 -3.8836056243 4.6189523181
0.1001000000 0.0008254369 -0.4115302182 0.7632107906 -0.0999669875 -1.2987258366 3.5117044309 -2.8774990022
0.0433200000 -0.0001201983 -0.1316751465 0.4370191772 -0.7318449301 1.0435997897 -1.6444953942 1.0904593482
})
(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: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
5384000.0000000000 0.0000016457 0.0000004469 0.0000001233 0.0000001526 0.0000002017 -0.0000003487 0.0000004516 0.0000005752
806200.0000000000 0.0000127815 0.0000034695 0.0000009570 0.0000011946 0.0000015901 -0.0000023248 0.0000028765 0.0000078185
183600.0000000000 0.0000672065 0.0000182569 0.0000050356 0.0000062114 0.0000081822 -0.0000151631 0.0000199557 0.0000154776
52250.0000000000 0.0002797109 0.0000759386 0.0000209489 0.0000262588 0.0000350779 -0.0000466071 0.0000559284 0.0002087448
17390.0000000000 0.0009766998 0.0002657236 0.0000732948 0.0000899315 0.0001179139 -0.0002397638 0.0003218581 0.0000595546
6523.0000000000 0.0029683492 0.0008080453 0.0002229871 0.0002814550 0.0003782505 -0.0004210720 0.0004722209 0.0028879224
2687.0000000000 0.0081239977 0.0022273283 0.0006147004 0.0007481310 0.0009740148 -0.0022627945 0.0031167633 -0.0016417375
1178.0000000000 0.0209200106 0.0057833199 0.0015982748 0.0020348735 0.0027560811 -0.0023966118 0.0023747485 0.0265213845
536.2000000000 0.0505590328 0.0143437812 0.0039699165 0.0048018560 0.0062251053 -0.0161768744 0.0228231977 -0.0218241056
251.5000000000 0.1104791033 0.0327060584 0.0090937104 0.0117025222 0.0160328102 -0.0105739287 0.0088299263 0.1886630349
121.3000000000 0.2069569123 0.0673715266 0.0188701405 0.0226723683 0.0293865348 -0.0899977549 0.1324114254 -0.1794735652
59.8800000000 0.3047373414 0.1176471371 0.0335159167 0.0443417480 0.0624183676 -0.0105759693 -0.0156006277 0.9923746460
30.0500000000 0.2929523106 0.1572798118 0.0461471119 0.0542824195 0.0694862147 -0.3395797314 0.5507809622 -1.0563507063
15.1200000000 0.1355607116 0.0838541752 0.0256075836 0.0413471455 0.0623982686 0.3395149878 -0.8183687762 1.8958715377
7.0100000000 0.0173207816 -0.1997171854 -0.0673395749 -0.1274586979 -0.2222763088 -0.1528101726 0.8389700154 -8.3341200374
3.4410000000 -0.0000351698 -0.4986030336 -0.2038094414 -0.2161431174 -0.3277686050 2.0754864980 -5.3805150967 15.8984937559
1.7120000000 0.0008032620 -0.3898171231 -0.2883032752 -0.5952197935 -1.2659961520 -1.9740350030 12.5600731183 -17.1640446192
0.8337000000 -0.0002438395 -0.0743425810 -0.0407361705 0.3712623750 3.3580397583 -2.9263787651 -15.2155529802 12.6328444723
0.3912000000 0.0000987220 -0.0007367752 0.4713076887 1.7272055910 -1.0193956105 7.0501965798 12.1366860020 -7.1013403262
0.1777000000 -0.0000512279 -0.0009261894 0.5659660071 -0.8075089899 -2.4607237219 -6.3490572177 -6.7569830682 3.0798066650
0.0793900000 0.0000100911 0.0000000000 0.1702693605 -0.8027687020 1.9996496274 2.5477771003 2.0875223450 -0.7985324261
})
(type: [ am = p 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 coef:6} = {
4552.0000000000 0.0000519530 0.0000125053 0.0000155755 0.0000299529 0.0000561663 -0.0000028536 0.0000163239
1078.0000000000 0.0004604024 0.0001106415 0.0001422935 0.0001996742 0.0003082340 0.0009106254 0.0013378940
350.1000000000 0.0026208164 0.0006324495 0.0007886088 0.0015148645 0.0028517349 0.0000071633 0.0011394694
133.8000000000 0.0111872441 0.0027051340 0.0034835891 0.0049567751 0.0078827196 0.0228386338 0.0348976887
56.5200000000 0.0378228974 0.0092564586 0.0115313768 0.0226188204 0.0443929003 0.0023516486 0.0271084027
25.5800000000 0.1021163975 0.0254006335 0.0327400156 0.0452278279 0.0764746347 0.2584507587 0.4316429351
12.1400000000 0.2103137453 0.0537628786 0.0676387623 0.1495691160 0.3087334849 -0.0995221699 -0.1430210775
5.9020000000 0.3173823797 0.0825945281 0.1100021755 0.1160589965 0.0828942509 1.1168940458 1.4523579784
2.9100000000 0.3271640365 0.0926223095 0.1118379956 0.3290175161 0.6641373643 -2.0734160601 -4.9122514800
1.4350000000 0.1776869820 0.0309116256 0.1082446644 -0.3924085811 -2.8057807693 0.4251541318 6.7676552964
0.6570000000 0.0293588218 -0.1930952447 -0.6884915103 -1.5315937173 2.7468974888 2.3420018914 -6.2666397339
0.3005000000 -0.0000752283 -0.4363625520 -0.5895119846 1.9633920738 -0.5912657300 -3.9438213549 4.8415805514
0.1340000000 0.0006795891 -0.4008800592 0.7746977189 -0.1686624408 -1.1582810042 3.5800797747 -2.9466501354
0.0578300000 -0.0001259461 -0.1220492925 0.4128842454 -0.7134121876 1.0097718307 -1.6759567791 1.0981241428
})
(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: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
6297000.0000000000 0.0000015921 0.0000004382 0.0000001350 0.0000001515 0.0000002175 -0.0000003537 0.0000004239 0.0000005565
943100.0000000000 0.0000123599 0.0000034001 0.0000010473 0.0000011864 0.0000017014 -0.0000022186 0.0000029533 0.0000076469
214900.0000000000 0.0000649159 0.0000178707 0.0000055054 0.0000061554 0.0000088365 -0.0000156897 0.0000180982 0.0000147082
61250.0000000000 0.0002693326 0.0000741041 0.0000228258 0.0000259766 0.0000372408 -0.0000423991 0.0000605693 0.0002044438
20450.0000000000 0.0009346034 0.0002576639 0.0000793897 0.0000882303 0.0001267345 -0.0002530285 0.0002782111 0.0000435799
7719.0000000000 0.0028081493 0.0007746516 0.0002386496 0.0002737658 0.0003923294 -0.0003377330 0.0005665839 0.0028130410
3198.0000000000 0.0076736278 0.0021312954 0.0006570998 0.0007237910 0.0010410141 -0.0024327681 0.0025253641 -0.0017286261
1402.0000000000 0.0198887182 0.0055689211 0.0017175837 0.0019883683 0.0028512138 -0.0016295615 0.0035969622 0.0256238042
637.2000000000 0.0482561629 0.0138537158 0.0042826970 0.0046884897 0.0067679204 -0.0178221351 0.0179568714 -0.0217036815
298.9000000000 0.1057504175 0.0316453111 0.0098118258 0.0114963962 0.0165725289 -0.0049843994 0.0186732740 0.1826938501
144.3000000000 0.2002096787 0.0656714009 0.0205253893 0.0223354902 0.0326736745 -0.1021067082 0.1014150904 -0.1759466706
71.2100000000 0.3007047557 0.1163667541 0.0368719010 0.0445622770 0.0651357654 0.0186567725 0.0497549609 0.9743879638
35.7300000000 0.2986548787 0.1591288761 0.0519727886 0.0556857997 0.0850063621 -0.4099629591 0.4092649090 -1.0156166417
17.9700000000 0.1463267075 0.0941285220 0.0318049495 0.0465569275 0.0624786338 0.4578417433 -0.5273696195 1.9212534912
8.3410000000 0.0201597202 -0.1869455747 -0.0692984997 -0.1262555207 -0.2344979072 -0.4628513460 0.2691559085 -8.4976725613
4.1120000000 -0.0001027048 -0.5017349200 -0.2299302040 -0.2175452587 -0.4090533612 2.9046910626 -4.4127379800 16.1551723002
2.0450000000 0.0011010907 -0.3954799564 -0.3169482049 -0.6283016341 -1.2528100846 -3.5079811920 11.4989816413 -17.4705083231
0.9770000000 -0.0003101426 -0.0732558993 -0.0159749150 0.4241886575 3.9386872408 -1.2958829987 -15.4513801494 13.6517240192
0.4766000000 -0.0001743228 -0.0061600338 0.4957998068 1.7450512169 -1.9634316309 6.1028742525 13.3555982564 -8.3811668069
0.2185000000 -0.0004191457 -0.0086419404 0.5502198982 -0.8970414287 -1.8355947721 -6.0642270602 -7.4995867074 3.6722811690
0.0975900000 -0.0000912518 -0.0021011099 0.1581023881 -0.7683501822 1.7827651294 2.5373502024 2.3404983629 -0.9687248617
})
(type: [ am = p 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 coef:6} = {
5266.0000000000 0.0000522613 0.0000134501 0.0000154652 0.0000261265 0.0000472865 0.0000267334 -0.0000122693
1247.0000000000 0.0004635223 0.0001188809 0.0001408791 0.0001831142 0.0002300594 0.0006121052 0.0015406921
405.0000000000 0.0026409857 0.0006815660 0.0007845892 0.0013237518 0.0023962232 0.0014371659 -0.0002948726
154.8000000000 0.0113168621 0.0029222411 0.0034675017 0.0045596034 0.0058935190 0.0154686053 0.0394244898
65.3800000000 0.0384702429 0.0100822376 0.0116099085 0.0199287095 0.0370985605 0.0238100296 0.0024519436
29.5900000000 0.1043389802 0.0277819341 0.0331206035 0.0428388835 0.0560642489 0.1714804908 0.4812776880
14.0400000000 0.2156829406 0.0593004576 0.0693083831 0.1310204730 0.2682120361 0.1187946980 -0.2718990230
6.8240000000 0.3252583670 0.0911250782 0.1105846677 0.1141021004 0.0380989111 0.5822500551 1.9062815566
3.3690000000 0.3261796946 0.1004947289 0.1084933001 0.2824872816 0.6181938317 -0.6567525787 -5.6195848634
1.6660000000 0.1631472917 0.0122559698 0.0773246928 -0.3619757334 -2.0645061533 -1.8054110160 7.1967949121
0.7681000000 0.0238968197 -0.2376634453 -0.7015469162 -1.2922486103 1.1062650376 4.3245165854 -6.0407366708
0.3504000000 0.0004741483 -0.4374524061 -0.4723029029 1.4371629676 1.3088468043 -4.8587566697 4.0991196636
0.1556000000 0.0007366333 -0.3652713498 0.6913382861 0.4007309084 -2.4272305524 3.5044846513 -2.1612106792
0.0668100000 0.0000198570 -0.1137546274 0.4658323810 -1.0014972170 1.4291669425 -1.3895622481 0.6995892705
})
(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: "aug-ano-pV5Z": [
(type: [ am = s am = s 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 coef:7 coef:8} = {
6410000.0000000000 0.0000018134 0.0000005314 0.0000000030 0.0000001698 -0.0000002454 0.0000002600 -0.0000002872 -0.0000011588 0.0000002660
959600.0000000000 0.0000141111 0.0000041356 0.0000000242 0.0000013020 -0.0000017038 0.0000024949 -0.0000046759 0.0000011954 -0.0000222115
218300.0000000000 0.0000742369 0.0000217541 0.0000001227 0.0000069960 -0.0000105333 0.0000095394 -0.0000060347 -0.0000714580 0.0000681622
61810.0000000000 0.0003141152 0.0000921099 0.0000005444 0.0000288036 -0.0000358464 0.0000603692 -0.0001290009 0.0001306794 -0.0007424635
20140.0000000000 0.0011463623 0.0003363575 0.0000018615 0.0001089500 -0.0001710464 0.0001289623 0.0000028591 -0.0015082994 0.0020127846
7264.0000000000 0.0037386909 0.0011004694 0.0000064915 0.0003415483 -0.0003995626 0.0007878202 -0.0018846991 0.0029918801 -0.0122818456
2832.0000000000 0.0110940777 0.0032848588 0.0000171666 0.0010740420 -0.0017689839 0.0010435252 0.0011586789 -0.0195036696 0.0309383988
1175.0000000000 0.0301135997 0.0090573809 0.0000496124 0.0027892591 -0.0029990509 0.0071956118 -0.0191404289 0.0394192234 -0.1364613440
512.6000000000 0.0739105226 0.0229428466 0.0000906845 0.0076251234 -0.0133610420 0.0053196412 0.0187610351 -0.1820704336 0.3235674469
233.0000000000 0.1582493814 0.0525801453 0.0001672956 0.0161014859 -0.0149230657 0.0488209718 -0.1462607058 0.3647817935 -1.1054296191
109.5000000000 0.2747350951 0.1042883588 -0.0001520201 0.0362533789 -0.0714207934 0.0066859406 0.1866940065 -1.2715666140 2.4850327178
52.8600000000 0.3340364624 0.1654622541 -0.0011870140 0.0504717507 -0.0238172309 0.2274808947 -0.8238119058 2.3807598827 -7.9916138222
25.8400000000 0.2175597801 0.1540218392 -0.0035702994 0.0667371854 -0.2061927692 -0.1682646033 1.3249211055 -6.2792168085 15.3073190550
12.1700000000 0.0457431155 -0.0738403143 0.0044587752 -0.0617185781 0.3578970532 0.4917346127 -3.4450111510 14.7349027082 -17.9825573891
6.0300000000 -0.0000293391 -0.4640154060 0.0423049009 -0.1249324583 -0.3577280432 -1.6897218253 10.6416289810 -20.1811796151 15.3785751978
3.0120000000 0.0018350275 -0.5674793085 0.1729287178 -0.6046474562 2.6924701253 -0.7196676198 -17.2794314191 17.5968759426 -10.1683370584
1.5110000000 -0.0004445327 -0.1905085616 0.0799121551 -0.1783077760 -3.9540969440 5.8577706280 15.5625663592 -10.5230168480 5.2777886347
0.6604000000 -0.0000776684 0.1231404358 -0.4305627967 2.1890408950 0.6262331788 -8.2740591089 -9.6736346378 4.8350750560 -2.2408291418
0.2926000000 -0.0004587124 0.1814151436 -0.5800768760 -0.8544231506 2.5843599682 6.5685251886 5.0095314691 -2.0981796629 0.9317231014
0.1254000000 -0.0000940595 0.0572888245 -0.1833322170 -0.8253035227 -1.9044798894 -2.5271393034 -1.4807207749 0.5551115060 -0.2386114278
})
(type: [ am = p 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 coef:6} = {
2548.0000000000 0.0002357017 0.0000639499 0.0000792628 0.0001077266 0.0002197740 0.0003560992 -0.0001499737
603.7000000000 0.0020515799 0.0005569862 0.0007426379 0.0010272250 0.0007818433 0.0012849466 0.0094617482
195.6000000000 0.0111543331 0.0030474869 0.0037825549 0.0051645255 0.0106383005 0.0173994246 -0.0064063870
74.1500000000 0.0439815972 0.0121470785 0.0163312278 0.0228840699 0.0172358419 0.0300889397 0.2310669531
30.9400000000 0.1299942320 0.0368757425 0.0460944074 0.0651495253 0.1497687221 0.2648836699 0.0148019439
13.6900000000 0.2729591832 0.0796346992 0.1119987183 0.1620792145 0.0781907272 0.1178873035 1.9980911828
6.2290000000 0.3836904520 0.1179864705 0.1292753470 0.1608737681 0.6187884668 1.0850703267 -4.7992874999
2.8780000000 0.2918694533 0.0871432235 0.1725511490 0.2854448087 -0.9770086078 -3.7550924124 5.1579298081
1.2820000000 0.0704461278 -0.1421012819 -0.4628884187 -1.7256993596 -0.8552528712 4.8514844912 -3.7100803179
0.5641000000 0.0012867770 -0.4276857233 -0.7987449671 1.1337070246 2.7354653623 -3.9871017433 2.1462131157
0.2348000000 0.0018296711 -0.4434172620 0.6410531198 0.7415976309 -2.8289492517 2.3639827845 -0.9964693334
0.0931200000 0.0000163527 -0.1623961240 0.5328110609 -1.0475106715 1.4210421531 -0.8759901249 0.3101012003
})
(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: "aug-ano-pV5Z": [
(type: [ am = s 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 coef:7} = {
9149000.0000000000 0.0000013427 0.0000003813 0.0000001196 -0.0000001367 0.0000002027 -0.0000003293 0.0000003452 0.0000004561
1370000.0000000000 0.0000104386 0.0000029633 0.0000009295 -0.0000010740 0.0000015917 -0.0000018877 0.0000026058 0.0000069702
311900.0000000000 0.0000548567 0.0000155803 0.0000048884 -0.0000055565 0.0000082454 -0.0000150571 0.0000142904 0.0000104830
88650.0000000000 0.0002295828 0.0000651880 0.0000204455 -0.0000237565 0.0000351960 -0.0000341674 0.0000564905 0.0001909327
29330.0000000000 0.0008103338 0.0002304322 0.0000723150 -0.0000816261 0.0001212004 -0.0002550029 0.0002151918 -0.0000088430
10930.0000000000 0.0024853413 0.0007074586 0.0002219097 -0.0002602096 0.0003853461 -0.0002409141 0.0005990865 0.0027408614
4480.0000000000 0.0068369173 0.0019572963 0.0006147545 -0.0006861311 0.0010202625 -0.0026145930 0.0018866047 -0.0023148855
1962.0000000000 0.0176198815 0.0050856225 0.0015970984 -0.0018950399 0.0028076686 -0.0005645308 0.0042078267 0.0259125894
894.1000000000 0.0428751718 0.0126528350 0.0039865334 -0.0044077494 0.0065790981 -0.0196857873 0.0127715126 -0.0274925753
419.6000000000 0.0954852872 0.0293064513 0.0092577792 -0.0111231815 0.0165651285 0.0024650308 0.0245476328 0.1858630074
202.3000000000 0.1850640043 0.0617712186 0.0197068769 -0.0215812668 0.0326566656 -0.1171495345 0.0703815446 -0.2084275083
99.8400000000 0.2890415368 0.1125407214 0.0364106866 -0.0450890638 0.0682935031 0.0567279069 0.0980188586 1.0333533404
50.0700000000 0.3101655965 0.1622931602 0.0543600462 -0.0582069373 0.0931850677 -0.5085459238 0.2878674750 -1.1234243716
25.1400000000 0.1721832194 0.1184119757 0.0412101400 -0.0607658119 0.0892905674 0.6075583185 -0.2201499979 2.3951790458
11.8100000000 0.0285227179 -0.1461475119 -0.0557198596 0.1167192188 -0.2510363395 -0.9040757906 -0.1275869717 -9.5206498981
5.8820000000 -0.0005757381 -0.4977515049 -0.2389790991 0.2034650119 -0.3897714652 3.9348718301 -4.0555237790 17.3194339583
2.9390000000 0.0011812150 -0.4342396429 -0.3480660572 0.7215300226 -1.5121815194 -4.9930331276 11.2889364476 -18.3576229032
1.4050000000 -0.0004805349 -0.0890745104 -0.0114046784 -0.4385972721 4.5898285938 0.2529061904 -15.7662048897 14.4784224309
0.6963000000 0.0001888494 -0.0005380500 0.5088914666 -1.8449057279 -2.7289064028 4.9468763592 13.9540130720 -9.0488920416
0.3188000000 -0.0000972509 -0.0020403603 0.5484078881 1.0202646083 -1.3248076648 -5.5081469231 -7.8700116705 3.9599970510
0.1410000000 0.0000174327 0.0000280176 0.1564441373 0.7094666949 1.5940922166 2.4081698078 2.4930828604 -1.0609623973
})
(type: [ am = p 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 coef:6} = {
7050.0000000000 0.0000501843 0.0000141163 0.0000181269 0.0000343626 0.0000431562 -0.0000168312 0.0000546355
1669.0000000000 0.0004453650 0.0001249327 0.0001604674 0.0002030576 0.0003915534 0.0010468239 0.0008043173
542.1000000000 0.0025479973 0.0007189150 0.0009241383 0.0017464185 0.0022272548 -0.0006566252 0.0029637669
207.1000000000 0.0110155237 0.0031134821 0.0040094773 0.0051788717 0.0100621568 0.0263999920 0.0217675375
87.5200000000 0.0378489764 0.0108614712 0.0140247320 0.0270262790 0.0358198284 -0.0074028644 0.0546574203
39.6100000000 0.1043551933 0.0305213102 0.0396644574 0.0507693530 0.1103683120 0.3136204422 0.3102739762
18.7800000000 0.2193351507 0.0664087472 0.0883804352 0.1933756399 0.2543344739 -0.1654503349 0.1588948073
9.1300000000 0.3346153067 0.1043355196 0.1325313304 0.1015726509 0.2443973897 1.4001683062 0.7242118126
4.5160000000 0.3267710198 0.1104812265 0.1419961135 0.4355928575 0.2358457918 -3.2086471959 -4.0243113103
2.2450000000 0.1481530147 -0.0132896226 -0.0015187742 -0.9855080991 -2.7521614546 2.3807653248 6.5252363948
1.0650000000 0.0192586150 -0.2782215414 -0.8792271203 -0.8432102702 3.6399411687 0.3934685502 -6.6383428657
0.4885000000 0.0005519368 -0.4348655739 -0.2138306098 2.0212689369 -1.8330864728 -2.6009069031 5.3744381464
0.2166000000 0.0001769246 -0.3375752082 0.7842254682 -0.6689038659 -0.3384327962 3.0085629067 -3.4935222661
0.0925500000 -0.0000168555 -0.0952338864 0.2866213418 -0.4774954241 0.7948349959 -1.6036842506 1.4000514687
})
(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
})
]
)
|