255 c q EOK(K) b(cc/mol)Nd KAD EHB/RTc Nas Nds 1 1.0382 1.0728 178.082 10.863 1 0.00E+00 0 1 1 2 1.3552 1.6765 220.429 16.716 1 0.00E+00 0 1 1 3 1.5481 2.0441 241.433 22.921 1 0.00E+00 0 1 1 4 1.7025 2.3380 260.583 29.039 1 0.00E+00 0 1 1 5 1.6424 2.2236 255.998 29.196 1 0.00E+00 0 1 1 7 1.9117 2.7366 268.579 35.304 1 0.00E+00 0 1 1 8 1.8318 2.5843 269.865 34.806 1 0.00E+00 0 1 1 9 1.7148 2.3615 264.645 35.111 1 0.00E+00 0 1 1 11 2.1266 3.1458 274.049 41.588 1 0.00E+00 0 1 1 12 2.0243 2.9510 275.703 41.304 1 0.00E+00 0 1 1 13 2.0212 2.9452 279.771 40.372 1 0.00E+00 0 1 1 14 1.8560 2.6304 284.293 40.444 1 0.00E+00 0 1 1 15 1.9079 2.7294 286.246 40.516 1 0.00E+00 0 1 1 17 2.3002 3.4765 280.687 47.761 1 0.00E+00 0 1 1 18 2.2176 3.3192 280.478 47.387 1 0.00E+00 0 1 1 19 2.1919 3.2704 284.692 46.604 1 0.00E+00 0 1 1 20 2.1447 3.1804 290.724 46.073 1 0.00E+00 0 1 1 21 2.0619 3.0226 285.648 46.698 1 0.00E+00 0 1 1 22 2.0788 3.0548 293.635 45.881 1 0.00E+00 0 1 1 23 2.1154 3.1245 281.485 46.956 1 0.00E+00 0 1 1 24 1.9826 2.8716 300.62 45.738 1 0.00E+00 0 1 1 25 1.9182 2.7489 303.184 45.515 1 0.00E+00 0 1 1 27 2.4842 3.8270 285.211 54.157 1 0.00E+00 0 1 1 28 2.4080 3.6819 284.588 53.790 1 0.00E+00 0 1 1 29 2.3872 3.6422 287.788 52.999 1 0.00E+00 0 1 1 30 2.3852 3.6385 286.912 52.914 1 0.00E+00 0 1 1 31 2.3526 3.5764 290.636 52.069 1 0.00E+00 0 1 1 32 2.2549 3.3903 288.388 52.845 1 0.00E+00 0 1 1 33 2.2916 3.4601 293.233 51.866 1 0.00E+00 0 1 1 34 2.2775 3.4334 288.933 52.437 1 0.00E+00 0 1 1 35 2.3322 3.5376 283.877 53.224 1 0.00E+00 0 1 1 36 2.1842 3.2556 299.449 52.002 1 0.00E+00 0 1 1 37 2.2561 3.3925 298.279 51.407 1 0.00E+00 0 1 1 38 2.2277 3.3384 299.18 51.233 1 0.00E+00 0 1 1 40 2.0969 3.0893 306.542 51.147 1 0.00E+00 0 1 1 41 2.1204 3.1341 294.217 52.343 1 0.00E+00 0 1 1 42 2.0711 3.0402 313.997 50.547 1 0.00E+00 0 1 1 43 2.1706 3.2298 302.682 50.950 1 0.00E+00 0 1 1 46 2.6457 4.1347 290.575 60.032 1 0.00E+00 0 1 1 47 2.3287 3.5309 293.402 58.754 1 0.00E+00 0 1 1 50 2.2561 3.3925 319.91 55.444 1 0.00E+00 0 1 1 51 2.0316 2.9649 337.871 55.756 1 0.00E+00 0 1 1 52 2.1494 3.1893 318.075 56.874 1 0.00E+00 0 1 1 53 2.1699 3.2283 305.435 59.440 1 0.00E+00 0 1 1 56 2.8366 4.4982 293.152 66.281 1 0.00E+00 0 1 1 63 3.0487 4.9022 294.378 72.268 1 0.00E+00 0 1 1 64 3.2096 5.2088 297.587 78.929 1 0.00E+00 0 1 1 65 3.3907 5.5536 299.613 84.270 1 0.00E+00 0 1 1 66 3.1885 5.1685 315.824 106.251 1 0.00E+00 0 1 1 67 3.7712 6.2785 302.336 96.371 1 0.00E+00 0 1 1 68 3.9385 6.5970 304.006 103.706 1 0.00E+00 0 1 1 69 4.0140 6.7409 307.567 112.957 1 0.00E+00 0 1 1 70 4.1454 6.9912 309.488 123.178 1 0.00E+00 0 1 1 71 4.2553 7.2005 311.468 134.502 1 0.00E+00 0 1 1 73 4.6667 7.9843 307.771 132.127 1 0.00E+00 0 1 1 74 999999 999999 337.771 999999 1 0.00E+00 0 1 1 75 9999.9 9999.9 200.00 999999 1 0.00E+00 0 1 1 80 5.5261 9.6209 315.341 191.961 1 0.00E+00 0 1 1 91 2.5854 4.0199 289.074 59.953 1 0.00E+00 0 1 1 92 2.5488 3.9502 292.558 59.236 1 0.00E+00 0 1 1 93 2.5508 3.9540 291.22 58.976 1 0.00E+00 0 1 1 94 3.1021 5.0041 278.967 65.725 1 0.00E+00 0 1 1 101 1.4862 1.9261 267.465 18.900 1 0.00E+00 0 1 1 102 1.6782 2.2918 284.473 23.989 1 0.00E+00 0 1 1 104 1.7070 2.3466 313.124 29.461 1 0.00E+00 0 1 1 105 1.8420 2.6038 311.262 35.942 1 0.00E+00 0 1 1 107 1.9990 2.9029 317.754 42.019 1 0.00E+00 0 1 1 109 1.9788 2.8643 317.067 41.223 1 0.00E+00 0 1 1 110 1.9925 2.8905 309.166 40.278 1 0.00E+00 0 1 1 114 2.0005 2.9058 336.295 50.376 1 0.00E+00 0 1 1 137 1.7843 2.4938 329.557 34.913 1 0.00E+00 0 1 1 138 1.8601 2.6383 332.377 41.993 1 0.00E+00 0 1 1 140 1.8999 2.7142 349.576 50.821 1 0.00E+00 0 1 1 141 1.8511 2.6210 344.367 51.312 1 0.00E+00 0 1 1 142 1.8503 2.6196 353.189 52.617 1 0.00E+00 0 1 1 143 1.8711 2.6593 345.118 51.629 1 0.00E+00 0 1 1 144 1.8662 2.6499 342.745 51.226 1 0.00E+00 0 1 1 145 1.8545 2.6275 347.986 51.881 1 0.00E+00 0 1 1 146 1.8454 2.6102 349.069 51.953 1 0.00E+00 0 1 1 147 1.8677 2.6528 342.005 51.125 1 0.00E+00 0 1 1 149 1.9532 2.8156 361.155 57.387 1 0.00E+00 0 1 1 152 2.0097 2.9233 371.071 64.969 1 0.00E+00 0 1 1 153 2.0861 3.0688 383.044 53.728 1 0.00E+00 0 1 1 154 1.9307 2.7728 390.727 61.192 1 0.00E+00 0 1 1 155 2.5854 4.0199 358.17 66.446 1 0.00E+00 0 1 1 157 4.5818 7.8224 300.47 119.638 1 0.00E+00 0 1 1 159 1.8905 2.6961 347.781 39.953 1 0.00E+00 0 1 1 201 1.3050 1.5810 210.275 15.013 1 0.00E+00 0 1 1 202 1.5142 1.9794 241.896 20.890 1 0.00E+00 0 1 1 204 1.6785 2.2925 259.485 27.137 1 0.00E+00 0 1 1 205 1.7395 2.4087 263.381 26.747 1 0.00E+00 0 1 1 206 1.7967 2.5175 254.128 26.813 1 0.00E+00 0 1 1 207 1.6883 2.3110 257.488 27.142 1 0.00E+00 0 1 1 209 1.8526 2.6239 270.624 33.585 1 0.00E+00 0 1 1 210 1.8814 2.6788 274.66 33.102 1 0.00E+00 0 1 1 211 1.8688 2.6549 275.39 33.109 1 0.00E+00 0 1 1 212 1.8363 2.5930 272.148 34.939 1 0.00E+00 0 1 1 213 1.8359 2.5922 263.618 32.725 1 0.00E+00 0 1 1 214 2.0189 2.9408 261.389 34.645 1 0.00E+00 0 1 1 216 2.0316 2.9649 278.787 40.084 1 0.00E+00 0 1 1 227 1.8950 2.7048 286.787 39.321 1 0.00E+00 0 1 1 228 1.9368 2.7844 284.418 39.290 1 0.00E+00 0 1 1 234 2.2285 3.3399 283.454 46.310 1 0.00E+00 0 1 1 250 2.3994 3.6654 288.605 53.120 1 0.00E+00 0 1 1 259 2.5671 3.9850 293.179 59.695 1 0.00E+00 0 1 1 260 2.7570 4.3466 295.886 65.306 1 0.00E+00 0 1 1 261 2.6942 4.2271 312.736 73.912 1 0.00E+00 0 1 1 262 2.8637 4.5500 314.489 79.923 1 0.00E+00 0 1 1 263 3.0150 4.8381 317.025 86.373 1 0.00E+00 0 1 1 264 3.0890 4.9790 322.841 93.915 1 0.00E+00 0 1 1 266 3.3664 5.5073 327.127 107.066 1 0.00E+00 0 1 1 267 3.5945 5.9419 331.576 119.943 1 0.00E+00 0 1 1 269 1.7081 2.3487 310.082 27.434 1 0.00E+00 0 1 1 270 1.7816 2.4888 333.939 33.120 1 0.00E+00 0 1 1 301 1.5770 2.0990 253.405 18.877 1 0.00E+00 0 1 1 302 1.9205 2.7533 253.26 24.964 1 0.00E+00 0 1 1 303 1.7028 2.3387 260.663 25.477 1 0.00E+00 0 1 1 305 1.5312 2.0117 328.305 35.193 1 0.00E+00 0 1 1 306 1.4180 1.7961 348.158 35.580 1 0.00E+00 0 1 1 309 1.5729 2.0913 312.516 33.030 1 0.00E+00 0 1 1 315 1.7726 2.4716 303.05 25.334 1 0.00E+00 0 1 1 316 2.0511 3.0021 363.204 53.735 1 0.00E+00 0 1 1 401 1.6808 2.2967 190.51 13.053 1 0.00E+00 0 1 1 402 1.7888 2.5024 239.203 18.366 1 0.00E+00 0 1 1 404 1.1781 1.3392 378.917 26.314 1 0.00E+00 0 1 1 405 1.4704 1.8960 330.714 25.478 1 0.00E+00 0 1 1 418 1.4253 1.8100 314.878 24.849 1 0.00E+00 0 1 1 424 2.4344 3.7322 420.987 68.303 1 0.00E+00 0 1 1 501 1.7688 2.4645 336.454 29.544 1 0.00E+00 0 1 1 502 1.9707 2.8490 332.752 36.227 1 0.00E+00 0 1 1 504 2.1223 3.1378 333.658 42.242 1 0.00E+00 0 1 1 505 2.1575 3.2047 337.96 41.522 1 0.00E+00 0 1 1 506 2.2090 3.3029 326.94 42.604 1 0.00E+00 0 1 1 507 2.2086 3.3022 326.549 42.920 1 0.00E+00 0 1 1 509 2.2877 3.4527 332.529 48.326 1 0.00E+00 0 1 1 510 2.2545 3.3896 331.086 47.827 1 0.00E+00 0 1 1 511 2.0823 3.0614 355.513 53.172 1 0.00E+00 0 1 1 512 2.1939 3.2741 338.742 55.006 1 0.00E+00 0 1 1 513 2.2020 3.2896 339.712 53.310 1 0.00E+00 0 1 1 514 2.3667 3.6033 340.638 46.170 1 0.00E+00 0 1 1 515 2.4171 3.6992 329.529 47.908 1 0.00E+00 0 1 1 516 2.4933 3.8444 319.05 48.194 1 0.00E+00 0 1 1 518 2.4664 3.7931 332.269 54.281 1 0.00E+00 0 1 1 519 2.4246 3.7134 329.58 50.979 1 0.00E+00 0 1 1 520 2.0147 2.9328 369.209 56.339 1 0.00E+00 0 1 1 521 1.9826 2.8716 369.891 55.807 1 0.00E+00 0 1 1 522 2.2526 3.3858 347.415 54.951 1 0.00E+00 0 1 1 523 2.2678 3.4148 343.671 54.437 1 0.00E+00 0 1 1 524 2.3895 3.6467 333.321 55.103 1 0.00E+00 0 1 1 525 2.2615 3.4029 349.89 56.354 1 0.00E+00 0 1 1 526 2.3013 3.4787 344.373 55.674 1 0.00E+00 0 1 1 527 2.5131 3.8821 328.207 55.383 1 0.00E+00 0 1 1 528 2.6501 4.1431 331.442 60.601 1 0.00E+00 0 1 1 529 2.8131 4.4535 331.967 66.891 1 0.00E+00 0 1 1 530 3.0462 4.8975 328.923 72.181 1 0.00E+00 0 1 1 531 3.2441 5.2745 327.87 78.038 1 0.00E+00 0 1 1 532 2.6381 4.1203 329.761 53.437 1 0.00E+00 0 1 1 557 2.7007 4.2393 354.502 58.775 1 0.00E+00 0 1 1 558 2.3648 3.5996 404.732 49.243 1 0.00E+00 0 1 1 559 3.0154 4.8389 428.518 62.177 1 0.00E+00 0 1 1 560 3.1397 5.0756 421.548 58.115 1 0.00E+00 0 1 1 561 2.7675 4.3666 426.561 52.358 1 0.00E+00 0 1 1 563 2.7433 4.3205 369.023 60.450 1 0.00E+00 0 1 1 564 2.8540 4.5314 368.822 66.838 1 0.00E+00 0 1 1 574 4.1121 6.9278 322.318 98.630 1 0.00E+00 0 1 1 601 1.8624 2.6427 376.147 41.266 1 0.00E+00 0 1 1 602 12.300 24.600 381.00 387.00 1 0.00E+00 0 1 1 613 2.1559 3.2018 352.364 48.113 1 0.00E+00 0 1 1 701 2.1158 3.1253 405.221 45.668 1 0.00E+00 0 1 1 702 2.0780 3.0534 421.963 52.529 1 0.00E+00 0 1 1 703 2.2865 3.4505 396.501 56.723 1 0.00E+00 0 1 1 706 2.0542 3.0080 395.994 54.345 1 0.00E+00 0 1 1 717 2.8609 4.5445 435.547 80.154 1 0.00E+00 0 1 1 735 2.7824 4.3950 361.635 63.230 1 0.00E+00 0 1 1 736 3.3944 5.5608 354.982 62.767 1 0.00E+00 0 1 1 738 2.2580 3.3962 456.039 44.992 1 0.00E+00 0 1 1 803 2.2448 3.3710 361.144 43.782 1 0.00E+00 0 1 1 804 3.2100 5.2096 392.877 56.900 1 0.00E+00 0 1 1 805 2.8430 4.5106 411.655 68.146 1 0.00E+00 0 1 1 806 3.3295 5.4372 436.827 88.519 1 0.00E+00 0 1 1 807 2.9366 4.6887 437.631 80.705 1 0.00E+00 0 1 1 808 2.4246 3.7134 407.141 61.751 1 0.00E+00 0 1 1 840 2.0553 3.0102 347.419 57.018 1 0.00E+00 0 1 1 841 2.2059 3.2970 340.926 56.979 1 0.00E+00 0 1 1 899 1.5120 1.9752 205.511 11.290 1 0.00E+00 0 1 1 900 4.3836 7.4449 176.186 8.3740 1 0.00E+00 0 1 1 901 1.0773 1.1473 138.542 8.1090 1 0.00E+00 0 1 1 902 1.0000 1.0000 32.494 6.6570 1 0.00E+00 0 1 1 905 1.1433 1.2730 106.155 9.9070 1 0.00E+00 0 1 1 906 1.0000 1.0000 421.349 11.050 1 0.00E+00 0 1 1 908 1.2367 1.4509 103.784 10.171 1 0.00E+00 0 1 1 909 1.8321 2.5850 178.269 10.534 1 0.00E+00 0 1 1 910 1.8984 2.7113 247.309 13.859 1 0.00E+00 0 1 1 911 2.5847 4.0184 241.859 13.995 1 0.00E+00 0 1 1 912 3.2487 5.2832 81.093 6.0520 1 0.00E+00 0 1 1 913 1.0000 1.0000 5.0820 5.9360 1 0.00E+00 0 1 1 914 1.0000 1.0000 147.431 7.9980 1 0.00E+00 0 1 1 915 1.0489 1.0931 122.319 9.1120 1 0.00E+00 0 1 1 917 1.2097 1.3994 114.998 7.4050 1 0.00E+00 0 1 1 918 1.2464 1.4694 323.405 14.486 1 0.00E+00 0 1 1 919 1.0000 1.0000 43.391 4.3460 1 0.00E+00 0 1 1 920 1.0046 1.0088 203.444 9.8960 1 0.00E+00 0 1 1 922 1.4278 1.8149 404.589 15.031 1 0.00E+00 0 1 1 923 1.0000 1.0000 3.2350 7.3470 1 0.00E+00 0 1 1 924 1.7085 2.3494 159.607 12.137 1 0.00E+00 0 1 1 959 1.0407 1.0776 269.993 13.026 1 0.00E+00 0 1 1 1001 1.2600 1.4952 292.100 16.590 2 0.015800 5.537 2 2 1002 1.1202 1.2290 326.061 20.359 1 2.26E-02 5.17 1 1 1003 1.1202 1.2290 326.061 20.359 1 2.26E-02 5.17 1 1 1005 1.1202 1.2290 326.061 20.359 1 2.26E-02 5.17 1 1 1034 1.1202 1.2290 326.061 20.359 1 2.26E-02 5.17 1 1 1040 2.3002 3.4765 280.687 47.761 2 1.00E-04 5.75 2 2 1041 2.3950 3.6571 333.360 32.205 2 1.04E-02 0.915 2 2 1051 2.1001 3.0954 274.703 26.965 1 1.00E-01 0.51 1 1 1052 2.2016 3.2889 284.201 31.545 1 0.00E+00 0 1 1 1101 1.1202 1.2290 326.061 20.359 1 2.26E-02 5.17 1 1 1102 1.5655 2.0771 270.142 23.574 1 2.83E-02 4.86 1 1 1103 2.7681 4.3678 242.515 25.119 1 1.00E-01 2.50 1 1 1104 2.3148 3.5044 236.544 27.699 1 5.00E-02 3.75 1 1 1105 1.5086 1.9688 341.11 37.348 1 6.48E-03 5.05 1 1 1106 1.9352 2.7814 292.591 33.302 1 6.05E-03 4.50 1 1 1107 1.9352 2.7814 292.591 33.302 1 6.05E-03 4.50 1 1 1108 1.9352 2.7814 292.591 33.302 1 6.05E-03 4.50 1 1 1109 3.0401 4.8859 267.844 34.036 1 1.58E-02 2.45 1 1 1110 3.2308 5.2491 275.746 38.015 1 0.00E+00 0.00 1 1 1115 2.5819 4.0131 310.818 55.570 1 1.80E-03 5.74 1 1 1120 3.1573 5.1091 312.769 64.299 1 1.40E-03 3.80 1 1 1125 3.2055 5.2009 324.746 82.260 1 1.60E-03 3.90 1 1 1181 2.0972 3.0899 354.336 29.989 1 1.22E-01 2.14 1 1 1182 2.0972 3.0899 354.336 29.989 2 1.22E-02 2.67 1 1 1183 2.0972 3.0899 354.336 29.989 3 1.22E-02 2.67 1 1 1200 5.7083 9.9682 245.652 15.005 1 0.00E+00 0.00 1 1 1251 2.7485 4.3305 284.574 23.535 1 0.00E+00 0.00 1 1 1253 3.0610 4.9257 281.615 25.310 1 0.00E+00 0.00 1 1 1321 2.2573 3.3948 274.817 29.955 1 0.00E+00 0.00 1 1 1401 1.7283 2.3873 242.914 19.645 1 2.26E-02 5.17 1 1 1407 1.8943 2.7034 251.749 25.156 1 2.26E-02 5.17 1 1 1402 2.0354 2.9722 257.965 31.900 1 2.26E-02 5.17 1 1 1405 1.9895 2.8847 277.769 36.842 1 2.26E-02 5.17 1 1 1400 2.2908 3.4587 284.588 43.418 1 2.26E-02 5.17 1 1 1450 5.6277 9.8148 268.895 59.193 1 0.00E+00 0.00 1 1 1451 9999.9 9999.9 200.00 999999 1 0.00E+00 0 1 1 1452 9999.9 9999.9 200.00 999999 1 0.00E+00 0 1 1 1475 1.7621 2.4516 294.116 22.858 1 2.26E-02 5.17 1 1 1478 1.7922 2.5089 320.796 26.722 1 0.0000 5.17 0 0 1479 1.7922 2.5089 320.796 26.722 1 2.26E-02 5.17 1 0 1501 1.6996 2.3327 341.430 31.657 1 0.0000 5.17 0 0 1521 1.7949 2.5140 318.313 25.643 1 0.0000 5.17 0 0 1772 2.9600 4.7333 176.990 9.4380 1 9.80E+01 0.796 1 1 1773 2.3017 3.4795 277.864 28.878 1 9.80E+01 0.757 1 1 1904 1.0000 1.0000 285.111 8.746 1 0.6919E+00 1.297 1 1 1905 2.4305 3.7247 233.511 16.940 1 0.00E+00 0.00 1 1 1911 1.9254 2.7627 231.575 9.1230 1 1.00E-04 1.00 1 1 1921 1.0053 1.0101 427.254 9.4110 1 1.00E-01 4.00 1 1 1922 1.0416 1.0792 333.837 11.678 1 4.42E-02 2.00 1 1