Parameters of the Modified UNIFAC (Dortmund) Model
This page shows the published parameters for modified UNIFAC (Dortmund). Many new, updated and revised parameters can be obtained from UNIFAC Consortium.
[List of References]
[List of Interaction Parameters]
[List of Sub Groups and their Group Surfaces and Volumes]
[List of Main Groups]
[Interaction Parameters Matrix]
List of References
The parameters shown here have been published in the articles
- Weidlich,Gmehling, Ind.Eng.Chem.Res., 26, 1372 (1987)
- Gmehling, Li, Schiller, Ind.Eng.Chem.Res., 32, 178 (1993)
- Gmehling, Lohmann, Jakob, Li, Joh, Ind.Eng.Chem.Res., 37, 4876-4882 (1998)
- Gmehling, Wittig, Lohmann, Joh, Ind.Eng.Chem.Res., 41, 1678-1688 (2002)
- Wittig, Lohmann, Joh, Horstmann, Gmehling, Ind.Eng.Chem.Res., 40, 5831-5838 (2001)
- Lohmann, Joh, Gmehling, Ind.Eng.Chem.Res., 40, 957-964 (2001)
- Lohmann, Gmehling, J.Chem.Eng.Jpn., 34, 43-54 (2001)
- Wittig, Lohmann Gmehling, AIChE Journal 49, 2, 530-537 (2003)
- Jakob, Grensemann, Lohmann, Gmehling, Ind.Eng.Chem.Res. 45, 7924-7933 (2006)
- Hector, Gmehling, Fluid Phase Equilib. 371, 82-92 (2014)
- Constantinescu, Gmehling, J.Chem.Eng.Data, 61(8), 2738-2748 (2016)
List of Interaction Parameters
| i | j | Aij | Bij | Cij | Aji | Bji | Cji |
| 1 | 2 | 189.66 | -0.27232 | -95.41801 | 0.061708 | ||
| 1 | 3 | 114.2 | 0.0933 | 16.07 | -0.2998 | ||
| 1 | 4 | 7.339 | -0.4538 | 47.2 | 0.3575 | ||
| 1 | 5 | 2777 | -4.674 | 0.001551 | 1606 | -4.746 | 0.0009181 |
| 1 | 6 | 2409.4 | -3.0099 | 82.593 | -0.48575 | ||
| 1 | 7 | 1391.3 | -3.6156 | 0.001144 | -17.253 | 0.8389 | 0.0009021 |
| 1 | 8 | 1381 | -0.9977 | 1987 | -4.615 | ||
| 1 | 9 | 433.6 | 0.1473 | 199 | -0.8709 | ||
| 1 | 10 | 875.85 | 256.21 | ||||
| 1 | 11 | 98.65601 | 1.9294 | -0.0031331 | 632.22 | -3.3912 | 0.0039282 |
| 1 | 12 | 508.4 | -0.6215 | 238.5 | -0.5358 | ||
| 1 | 13 | 233.1 | -0.3155 | -9.654 | -0.03242 | ||
| 1 | 14 | -164.04 | 4.9683 | -0.010252 | 326.04 | -2.6348 | 0.0033576 |
| 1 | 15 | 350.58 | 0.066729 | 207.26 | -1.0916 | ||
| 1 | 16 | -175.7 | 1.857 | 205.65 | -1.4436 | ||
| 1 | 17 | 958.74 | -0.14836 | 2257.3 | -5.6676 | ||
| 1 | 18 | 1802.3 | -17.171 | 0.036 | -436.15 | 3.4225 | -0.0087 |
| 1 | 19 | 593.07 | 0.7335 | 293.81 | -1.3979 | ||
| 1 | 20 | 1182.2 | -3.2647 | 0.009198 | 2017.7 | -9.0933 | 0.010238 |
| 1 | 21 | 401 | -0.72772 | -65.68501 | 0.074091 | ||
| 1 | 22 | -233.66 | 1.2561 | 311.55 | -1.1856 | ||
| 1 | 23 | -653.74 | 4.5311 | -0.008735 | 1302.6 | -8.427 | 0.014417 |
| 1 | 24 | 267.51 | -1.7109 | 0.003388 | -148.07 | 1.0927 | -0.002416 |
| 1 | 25 | -1385 | 15.89 | -0.04831 | 3264 | -20.84 | 0.03317 |
| 1 | 26 | 2345 | -13.2 | 0.02156 | -396.5 | 3.092 | -0.006266 |
| 1 | 27 | 2383 | -2.693 | 1744 | -4.082 | ||
| 1 | 28 | 24.33 | 1.521 | 72.12 | -1.126 | ||
| 1 | 29 | 465.9 | -0.8557 | -59.9 | -0.008313 | ||
| 1 | 30 | 577.7 | 0.9384 | 210.5 | -1.081 | ||
| 1 | 31 | 897.7 | 28.17 | ||||
| 1 | 32 | 559.9 | -0.3564 | 166 | -0.7116 | ||
| 1 | 33 | 527.7 | -0.499 | -62.08 | -0.3658 | ||
| 1 | 34 | 477.5 | -0.6581 | -22.04 | -0.1018 | ||
| 1 | 35 | -547.5 | 3.457 | 477.1 | -2.175 | ||
| 1 | 36 | 1662 | -291.9 | ||||
| 1 | 37 | 334.5 | 0.009102 | 3.202 | -0.6894 | ||
| 1 | 38 | 468.5 | -1.042 | -160.3 | -0.0108 | ||
| 1 | 39 | 406.2 | 0.6525 | 151 | -0.9023 | ||
| 1 | 40 | 342 | -1.679 | -484.3 | 2.467 | ||
| 1 | 41 | 1312 | -3.643 | -314.6 | 1.287 | ||
| 1 | 42 | -117.1 | 0.5481 | -0.00098 | 170.9 | -0.8062 | 0.001291 |
| 1 | 43 | 79.507 | 0.70892 | -0.0020983 | 186.71 | -1.3546 | 0.0024016 |
| 1 | 44 | 1935.7 | -21.23 | ||||
| 1 | 45 | 164.25 | -0.26834 | -44.069 | 0.027778 | ||
| 1 | 46 | 677.32 | -2.0066 | -249.85 | 1.7054 | ||
| 1 | 47 | 3150.86 | -3.1003 | 189.911 | -0.9413 | ||
| 1 | 48 | 1529.52 | -6.2025 | 0.00975 | 82.6 | -0.615 | -0.000623 |
| 1 | 49 | -923.282 | 7.80959 | -0.008808 | 183.02 | -1.22588 | 0.000583 |
| 1 | 52 | 24.432 | 0.2915 | -16.034 | -0.5337 | ||
| 1 | 53 | 269.67 | -41 | ||||
| 1 | 55 | 407.47 | -0.2037 | -0.00016 | -0.067 | -0.3935 | 4e-05 |
| 1 | 56 | 1058.31 | -1.1856 | 438.76 | -1.2256 | ||
| 1 | 61 | 860.51 | -1.96009 | -309.943 | 0.64856 | ||
| 1 | 84 | 70.38 | 0.24511 | 77.7793 | 0.83298 | ||
| 1 | 85 | 1260.02 | -4.55446 | 0.0067607 | 996.5333 | -5.48462 | 0.0095873 |
| 1 | 87 | 283.8202 | -3.9547 | 0.0103753 | 907.3842 | 0.46568 | -0.0055872 |
| 1 | 89 | 360.8016 | 2.05302 | -0.0166992 | 454.5569 | -1.47382 | 0.0010454 |
| 1 | 90 | 656.528 | -4.2237 | 0.0074475 | -307.8627 | 3.60996 | -0.0081757 |
| 1 | 91 | 1094.303 | -1.11888 | 243.462 | -1.03559 | ||
| 1 | 93 | 468.398 | -2.55668 | 2660.16 | -6.86512 | ||
| 1 | 98 | 1859.374 | 4.06308 | 1131.305 | -0.93175 | ||
| 1 | 99 | 4041.479 | -3.90698 | -0.0254482 | 3504.325 | 2.66288 | -0.0330202 |
| 2 | 3 | 174.1 | -0.5886 | -157.2 | 0.6166 | ||
| 2 | 4 | 117.3 | -0.8552 | -113.1 | 1.172 | ||
| 2 | 5 | 2649 | -6.508 | 0.004822 | 1566 | -5.809 | 0.005197 |
| 2 | 6 | -628.07 | 10 | -0.014972 | -96.297 | 0.6304 | -0.0018 |
| 2 | 7 | 778.3 | 0.1482 | -1301 | 4.072 | ||
| 2 | 8 | 1207 | -1.955 | 191.6 | 0.4936 | ||
| 2 | 9 | 179.8 | 0.69911 | 91.811 | -0.71715 | ||
| 2 | 10 | 476.25 | 202.49 | ||||
| 2 | 11 | 980.74 | -2.4224 | -582.82 | 1.6732 | ||
| 2 | 12 | 309.8 | -28.63 | ||||
| 2 | 13 | 733.3 | -2.509 | -844.3 | 2.945 | ||
| 2 | 14 | 1857 | -8.653001 | 0.01088 | 498.8 | -5.148 | 0.01039 |
| 2 | 15 | 224.8 | -124.32 | ||||
| 2 | 16 | 165.3 | -131.5 | ||||
| 2 | 17 | 2800 | -10.72 | 0.01339 | 3982 | -19.72 | 0.02783 |
| 2 | 18 | 13.502 | -13.317 | ||||
| 2 | 19 | 634.85 | -181.93 | ||||
| 2 | 20 | -2026.1 | 8.1549 | -347.5 | 1.216 | ||
| 2 | 21 | 498.9 | -1.487 | -359.6 | 1.238 | ||
| 2 | 22 | -44.958 | 55.881 | ||||
| 2 | 23 | -204.51 | 255.41 | ||||
| 2 | 24 | 616.62 | -2.1164 | -663.45 | 2.3281 | ||
| 2 | 25 | -56.69 | 9.805 | 215.5 | -1.519 | ||
| 2 | 26 | 417.6 | 0.08726 | 452.2 | -1.997 | ||
| 2 | 28 | 46.06 | 1.545 | 70.88 | -1.09 | ||
| 2 | 30 | 470.4 | -146.1 | ||||
| 2 | 33 | -19.82 | 0.5941 | 160.4 | -0.5148 | ||
| 2 | 34 | 642.27 | -3.8641 | 0.0055 | -197.06 | 1.8723 | -0.0027 |
| 2 | 35 | -174.6 | 1.96 | 154 | -1.303 | ||
| 2 | 36 | 179.7 | -113.8 | ||||
| 2 | 37 | 967.9 | -0.03862 | -300.6 | -0.09576 | ||
| 2 | 38 | 141.1 | -0.3025 | -139.5 | 0.9076 | ||
| 2 | 39 | 388.4 | -152.2 | ||||
| 2 | 41 | -339.8 | 1.297 | 698.5 | -2.159 | ||
| 2 | 42 | 2.406 | -0.1882 | 60.2 | 0.1565 | ||
| 2 | 43 | -322.1 | -0.20367 | 0.004517 | 1182.6 | -5 | 0.0037455 |
| 2 | 45 | 389.28 | -174.41 | ||||
| 2 | 46 | 491.23 | -1.8285 | -734.87 | 3.3463 | ||
| 2 | 47 | 673.2271 | 1.9523 | 92.7 | -0.8135 | ||
| 2 | 48 | 249.18 | -81.79 | ||||
| 2 | 49 | 1171.32 | 3.92127 | 90.0134 | -0.920017 | ||
| 2 | 52 | -86.231 | -39.373 | ||||
| 2 | 53 | 9.389999 | 57.86 | ||||
| 2 | 55 | -456.08 | 2.4334 | 298.55 | -1.4153 | ||
| 2 | 56 | 775.56 | -65.66 | ||||
| 2 | 61 | 324.316 | -156.458 | ||||
| 2 | 84 | -44.3408 | -0.65212 | 1753.135 | -3.112 | ||
| 2 | 85 | 566.2915 | -0.14057 | -1213.93 | 5.14012 | ||
| 2 | 87 | -92.7302 | -0.25088 | -1151.296 | 4.7125 | ||
| 2 | 89 | 1230.781 | 0.17033 | 0.0141503 | 4896.219 | -1.86077 | -0.0254894 |
| 2 | 90 | 1625.909 | -2.40107 | 159.8103 | 1.85317 | ||
| 2 | 91 | 2979.973 | 4.82369 | -0.0272505 | 724.9113 | -4.79411 | 0.0056279 |
| 2 | 93 | -740.2421 | 232.905 | ||||
| 2 | 98 | 2487.632 | -3.28182 | 1804.025 | -5.18107 | ||
| 2 | 99 | -2399.738 | -0.27451 | 0.0329518 | 658.1962 | 0.57714 | -0.0078001 |
| 3 | 4 | 139.2 | -0.65 | -45.33 | 0.4223 | ||
| 3 | 5 | 3972 | -13.16 | 0.01208 | 3049 | -12.77 | 0.01435 |
| 3 | 6 | 1604.3 | -2.0299 | 13.733 | -0.11768 | ||
| 3 | 7 | 792 | -1.726 | 332.3 | 1.158 | ||
| 3 | 8 | 1356 | -2.118 | 2340 | -5.043 | ||
| 3 | 9 | 146.2 | -1.237 | 0.004237 | -57.53 | 1.212 | -0.003715 |
| 3 | 10 | -365.5 | 1.874 | 1011 | -2.167 | ||
| 3 | 11 | -274.54 | 0.91491 | 622.73 | -1.7605 | ||
| 3 | 12 | 170.5 | -0.02393 | 108.3 | -0.262 | ||
| 3 | 13 | -87.08 | -0.1859 | 179 | 0.05615 | ||
| 3 | 14 | 2036 | -8.729 | 0.008138 | -121 | -1.901 | 0.006999 |
| 3 | 15 | 139.67 | 0.037692 | 105.63 | -0.60667 | ||
| 3 | 16 | -71.4 | 0.7078 | 16.29 | -0.6022 | ||
| 3 | 17 | 1044.7 | -1.7112 | 154.39 | 1.2458 | ||
| 3 | 18 | -1553.9 | 0.1615 | 0.0082 | 1810.8 | -5.7594 | 0.0023 |
| 3 | 19 | -17.44 | 0.9437 | 111.8 | -0.5959 | ||
| 3 | 20 | 69.561 | 1.8881 | 613.32 | -1.595 | ||
| 3 | 21 | 73.04601 | -0.21322 | -58.972 | 0.1046 | ||
| 3 | 22 | 133.66 | -0.46141 | -142.2 | 0.39662 | ||
| 3 | 23 | 66.214 | -0.63629 | -78.116 | 0.69975 | ||
| 3 | 24 | 269 | -1.776 | 0.002645 | -305.5 | 2.12 | -0.003239 |
| 3 | 25 | 595.2 | 3.309 | -0.02844 | 1885 | -10.98 | 0.01661 |
| 3 | 26 | 134.1 | -0.8156 | 0.00145 | -330 | 3.066 | -0.005376 |
| 3 | 27 | 936.3391 | -4.4141 | 0.012232 | 1866.23 | -9.28137 | 0.008299 |
| 3 | 28 | 3736 | -25 | 0.04593 | 574.6 | -3.702 | 0.003682 |
| 3 | 29 | 77.083 | -0.3094 | -2.1662 | 0.1196 | ||
| 3 | 30 | 331.6 | 0.3778 | 0.4086 | -0.4601 | ||
| 3 | 31 | -148.14 | 2.2658 | -0.00353 | -93.18999 | 1.5036 | -0.00141 |
| 3 | 32 | -82.28 | 0.5677 | 298.9 | -0.8374 | ||
| 3 | 33 | -248.2 | 1.214 | 187.5 | -0.9020001 | ||
| 3 | 35 | 347.6 | -1.43 | -345.6 | 1.545 | ||
| 3 | 37 | 602.1 | -7.798 | 0.01966 | 1887 | -8.707001 | 0.007813 |
| 3 | 38 | 808 | -5.331 | 0.006077 | -1367 | 7.883 | -0.007754 |
| 3 | 39 | -81.68999 | 1.1229 | -0.00105 | 58.76 | -0.6263 | 0.000668 |
| 3 | 40 | 123.26 | -0.6133 | 419.04 | -0.1703 | ||
| 3 | 41 | -126.2 | 0.386 | 670.8 | -1.807 | ||
| 3 | 42 | 134.6 | -1.231 | 0.001488 | -2.619 | 1.094 | -0.001557 |
| 3 | 43 | -26.852 | -0.44215 | 47.23 | 0.64039 | ||
| 3 | 44 | -1172 | 10.106 | -0.01428 | -1141.6 | 8.656199 | -0.015439 |
| 3 | 45 | 380.02 | -0.23326 | -201.52 | -0.068774 | ||
| 3 | 46 | 313.79 | -1.1552 | -258.12 | 1.4084 | ||
| 3 | 47 | 1083.63 | 0.9144 | -0.002141 | 160.13 | -1.3578 | 0.001331 |
| 3 | 48 | 92.5 | 1.4186 | 1.8e-05 | -14.89 | -0.8126 | 2e-06 |
| 3 | 49 | -103.146 | 2.6565 | -0.002819 | 45.4296 | -0.570848 | 0.000281 |
| 3 | 52 | 1412 | -3.9917 | -660.25 | 1.4602 | ||
| 3 | 53 | 392.56 | -260.22 | ||||
| 3 | 55 | 849.08 | -6.5044 | 0.01219 | -358.06 | 3.6831 | -0.00782 |
| 3 | 56 | -522.32 | 3.8856 | -0.004212 | 562.72 | -2.4316 | 0.00242 |
| 3 | 61 | 454.316 | -1.21943 | -388.19 | 1.04305 | ||
| 3 | 84 | 277.4415 | -0.1843 | -223.7499 | 0.2781 | ||
| 3 | 85 | 825.9189 | -4.35541 | 0.0085572 | 20.2719 | -0.33187 | 0.0025793 |
| 3 | 87 | -1304.107 | 3.87435 | 0.0039496 | 26.3894 | 0.38631 | -0.0027586 |
| 3 | 89 | 626.9603 | -4.30606 | 2116.398 | -2.11062 | ||
| 3 | 90 | 161.7745 | -0.56713 | 785.4488 | -3.09114 | ||
| 3 | 91 | 1690.065 | -3.38808 | 0.0202432 | -15.3556 | -0.15571 | -0.0001404 |
| 3 | 93 | -630.416 | -72.2694 | ||||
| 3 | 98 | 1014.686 | -1.73087 | 877.6001 | -1.96581 | ||
| 3 | 99 | 4899.846 | -3.53433 | -0.0358313 | -969.6266 | 3.81305 | 0.0028389 |
| 4 | 5 | 3989 | -14.09 | 0.0153 | 2673 | -5.765 | -0.000332 |
| 4 | 6 | 436.21 | 1.9094 | 145.54 | -0.48799 | ||
| 4 | 7 | 1050.2 | -1.9939 | 24.144 | 1.6504 | ||
| 4 | 8 | 1375 | -1.702 | 1825 | -3.743 | ||
| 4 | 9 | 1001 | -1.871 | 0.000239 | -146.6 | 0.2419 | 0.0001133 |
| 4 | 10 | 683.6 | -1.02 | 0.000869 | 1963 | 2.656 | -0.01355 |
| 4 | 11 | -242.5 | 2.72 | -0.003449 | 1624 | -9.409 | 0.01338 |
| 4 | 12 | 136.98 | 377.26 | ||||
| 4 | 13 | -595.1 | 2.978 | 375 | -1.57 | ||
| 4 | 14 | 2977 | -19.16 | 0.03333 | -45.44 | 5.141 | -0.0142 |
| 4 | 15 | 1250 | -316.22 | ||||
| 4 | 16 | -2631 | 13.56 | -0.007036 | 978.3 | -6.481 | 0.007088 |
| 4 | 17 | 4000 | -16.68 | 0.02112 | 3969 | 8.497001 | -0.005945 |
| 4 | 18 | 135.3 | -2.369 | 0.0039 | 1698.1 | -9.8887 | 0.0153 |
| 4 | 19 | 208.1 | 1.333 | 170.1 | -0.8218 | ||
| 4 | 20 | 1352.5 | 29.747 | ||||
| 4 | 21 | -46.994 | 0.30443 | 113.07 | -0.59569 | ||
| 4 | 22 | 213.85 | 0.19998 | -75.01 | -0.42684 | ||
| 4 | 23 | 192.52 | -0.25363 | -38.939 | -0.19378 | ||
| 4 | 24 | -106.2 | 0.6081 | 107.8 | -0.6785 | ||
| 4 | 25 | -113.6 | 19.72 | -69.23 | -0.7359 | ||
| 4 | 26 | 1358 | -9.968 | 0.02093 | 1014 | -4.702 | 0.004381 |
| 4 | 27 | 391.044 | 0.196357 | 2.24992e-05 | 1931.39 | -5.15065 | 4.51638e-07 |
| 4 | 28 | 2586 | -9.5 | 0.008819 | -1494 | 7.679 | -0.01225 |
| 4 | 30 | 157.9 | 1.408 | 181.2 | -1.081 | ||
| 4 | 31 | 1856.45 | 5.9959 | -0.01862 | 1041.33 | -5.2068 | 0.00717 |
| 4 | 32 | 69 | 0.4317 | 448.8 | -0.9919 | ||
| 4 | 33 | 277 | -0.5955 | -156.7 | 0.1221 | ||
| 4 | 35 | 88.93 | 0.2236 | 178.6 | -0.7113 | ||
| 4 | 37 | 234.2 | -0.2311 | -115.9 | -0.02925 | ||
| 4 | 38 | -172.2 | 0.2257 | -13.15 | 0.001763 | ||
| 4 | 39 | 444.29 | 0.1947 | 64.28 | -0.5839 | ||
| 4 | 40 | 29.57 | 153.32 | ||||
| 4 | 41 | 2303 | -6.346 | -736.8 | 3.332 | ||
| 4 | 42 | -107.1 | 0.2564 | 191.5 | -0.5561 | ||
| 4 | 43 | -26.486 | -0.29519 | 199.48 | 0.033695 | ||
| 4 | 44 | -514.79 | 4.9372 | 291.65 | -1.2039 | ||
| 4 | 45 | 297.73 | -0.24204 | -248.3 | 0.25471 | ||
| 4 | 46 | 72.26 | -0.1919 | 763.57 | -1.3961 | ||
| 4 | 47 | 1696.96 | -0.7064 | 340.91 | -1.008 | ||
| 4 | 48 | 76.73 | 0.9394 | -0.00045 | 246.08 | -0.8198 | -0.000137 |
| 4 | 49 | -182.325 | 3.36729 | -0.004625 | 119.767 | -0.608934 | 0.000607 |
| 4 | 52 | 1000.8 | -2.5194 | -139.78 | 0.1146 | ||
| 4 | 53 | 164.05 | 102.04 | ||||
| 4 | 55 | 558.08 | 0.565 | -0.00331 | 562.34 | -3.4373 | 0.00633 |
| 4 | 56 | -307.42 | 4.1819 | -0.007723 | 1661.26 | -8.697001 | 0.01424 |
| 4 | 61 | 629.463 | -1.39039 | -305.273 | 0.669085 | ||
| 4 | 84 | 930.7075 | -4.30401 | 0.007841 | 365.3965 | -1.20387 | -0.0007792 |
| 4 | 85 | -313.9384 | 2.06128 | -134.6708 | 1.38462 | ||
| 4 | 87 | -935.3928 | 1.26386 | 0.0041351 | 4101.374 | -1.19824 | -0.0186009 |
| 4 | 89 | 524.3056 | -4.26859 | 1259.47 | -1.91791 | ||
| 4 | 90 | 453.4621 | -2.03845 | 3997.18 | -2.994 | ||
| 4 | 91 | 1077.47 | -2.43883 | -998.0735 | 4.48792 | ||
| 4 | 93 | -478.068 | 15.0501 | ||||
| 4 | 98 | 1113.436 | -0.428312 | -281.4692 | 1.00738 | ||
| 4 | 99 | 335.1104 | 2.26653 | 0.0239277 | 3792.062 | -2.55407 | -0.0217293 |
| 5 | 6 | 346.31 | -2.4583 | 0.0029287 | -1218.2 | 9.7928 | -0.016158 |
| 5 | 7 | -801.9 | 3.824 | -0.007514 | 1460 | -8.673 | 0.01641 |
| 5 | 8 | 83.91 | -1.262 | 465.4 | -1.841 | ||
| 5 | 9 | -250 | 2.857 | -0.006022 | 653.3 | -1.412 | 0.000954 |
| 5 | 10 | -281.4 | 2.379 | -0.006668 | 1590 | -24.57 | 0.06212 |
| 5 | 11 | 973.8 | -5.633 | 0.00769 | 310.4 | 1.538 | -0.004885 |
| 5 | 12 | 235.9 | -0.5874 | 839.6 | -1.215 | ||
| 5 | 13 | 816.7 | -5.092 | 0.006065 | 650.9 | -0.7132 | 0.000815 |
| 5 | 14 | -923.7 | 2.468 | -75.63 | -0.1511 | ||
| 5 | 15 | -355.1 | 0.58 | -660.2 | 1.743 | ||
| 5 | 16 | 104.6 | -5.014 | 0.008854 | 1876 | 11.5 | 0.09 |
| 5 | 17 | -1114 | 5.916 | -0.007126 | 1325 | -6.263 | 0.007584 |
| 5 | 18 | -3061.2 | 9.5413 | 0.1842 | -643.09 | 2.9346 | -0.0055 |
| 5 | 19 | 123.5 | 0.8503 | -0.002478 | -46 | 4.415 | -0.00878 |
| 5 | 20 | -1295 | 4.3634 | 1525.8 | -4.9155 | ||
| 5 | 21 | 238.1 | -0.7077 | 2177 | -4.363 | ||
| 5 | 22 | -126 | 0.1322 | 2389 | -4.509 | ||
| 5 | 23 | 1314.8 | 963.37 | ||||
| 5 | 24 | 925.6 | -2.027 | 3139 | -5.964 | ||
| 5 | 25 | 1862 | 32.07 | -0.009397 | 3664 | 34.13 | 0.002987 |
| 5 | 26 | 741.8 | -2.098 | 1091 | -1.274 | ||
| 5 | 27 | 2100 | 316.6 | ||||
| 5 | 30 | 738.4 | -1.771 | 616.5 | -0.1457 | ||
| 5 | 31 | 499.8 | -2.41 | -468.8 | 2.421 | ||
| 5 | 32 | 838.8 | 774.7 | ||||
| 5 | 33 | 699.7 | -1.767 | 1439 | -1.673 | ||
| 5 | 34 | -148.9 | 1.034 | 1255 | -2.538 | ||
| 5 | 35 | 190.4 | -1.2 | -452.3 | 1.956 | ||
| 5 | 36 | 1117 | -2.196 | 1072 | -1.248 | ||
| 5 | 37 | 439.4 | 959.3 | ||||
| 5 | 38 | 848.6 | 1253 | ||||
| 5 | 39 | 1036 | -2.995 | -366.4 | 1.129 | ||
| 5 | 41 | 403.8 | -0.9346 | 703.4 | -1.383 | ||
| 5 | 42 | 3121 | -13.69 | 0.01446 | 2601 | -1.25 | -0.006309 |
| 5 | 43 | 401.89 | -0.43627 | -0.002004 | -238.36 | 5 | -0.008186501 |
| 5 | 45 | -32.643 | -0.010434 | 2985.8 | -6.227 | ||
| 5 | 46 | 1201.3 | -4.6803 | -516.99 | 2.1888 | ||
| 5 | 47 | 186.24 | -3.1349 | 0.007737 | 1460.82 | -5.962 | 0.004691 |
| 5 | 48 | 1627.81 | -5.8598 | 0.005497 | -808.4 | 3.8321 | -0.005877 |
| 5 | 49 | -150.961 | 0.527951 | 868.681 | -2.20103 | ||
| 5 | 52 | -3745 | 4.5137 | 0.0636 | 7712.2 | -7.6896 | -0.035 |
| 5 | 53 | 495.28 | -2.6496 | 0.00159 | 700.05 | 0.2237 | -0.00244 |
| 5 | 56 | 34.94 | 1.0075 | -0.002547 | 942.22 | -2.3183 | 0.001188 |
| 5 | 61 | 1105.94 | -1.68763 | 1343.95 | -2.16488 | ||
| 5 | 84 | 292.6468 | -1.59145 | 147.0663 | 2.08434 | ||
| 5 | 85 | 1026.29 | -3.17777 | -792.988 | 3.87681 | ||
| 5 | 87 | -348.7564 | 1.92474 | 1003.498 | -2.48421 | ||
| 5 | 89 | -2448.212 | -2.13997 | 0.0332832 | -234.3916 | 4.01945 | -0.0134709 |
| 5 | 90 | 1178.048 | 5.33766 | 1044.876 | -3.71273 | ||
| 5 | 91 | -159.8631 | 2.41804 | 662.1286 | -3.28127 | ||
| 5 | 93 | -367.321 | 34.7132 | ||||
| 5 | 98 | 225.0235 | -4.3271 | 0.0030855 | 448.381 | -1.61662 | 0.000518 |
| 5 | 99 | -352.184 | -1.58363 | 0.0090199 | 1751.43 | -1.09998 | -0.0148923 |
| 6 | 7 | -328.5 | 1.0823 | -0.0022 | -524.3 | 4.6065 | -0.004 |
| 6 | 8 | -867 | -1.258 | 0.02998 | 265.5 | -2.905 | 0.002283 |
| 6 | 9 | 86.439 | -0.46505 | 394.78 | -0.36048 | ||
| 6 | 10 | -392.5 | 2.256 | -158.4 | -0.6469 | ||
| 6 | 11 | 299.23 | -1.2702 | 294.76 | 0.3745 | ||
| 6 | 12 | 220.7 | -0.6402 | 444.7 | -0.06819 | ||
| 6 | 13 | -87.48 | -0.5522 | 475.2 | 0.1198 | ||
| 6 | 14 | -495.25 | 1.0807 | -467.95 | 0.65743 | ||
| 6 | 15 | -1508.5 | 4.4917 | -278.09 | -0.39888 | ||
| 6 | 16 | -1039 | 5.603 | -0.006551 | 39.33 | -3.354 | 0.006714 |
| 6 | 17 | -2012 | 13.46 | -0.02004 | 251.2 | -1.274 | 0.002214 |
| 6 | 18 | -341.34 | -5.8042 | 0.0141 | -230.38 | -0.3825 | 0.0023 |
| 6 | 19 | 97.97301 | -0.28666 | 615.01 | -0.9444399 | ||
| 6 | 20 | -733.07 | 2.3351 | 1075.5 | -3.4339 | ||
| 6 | 21 | -16.521 | -0.28137 | 1831.2 | -2.9694 | ||
| 6 | 22 | -85.926 | -0.26371 | 1904.4 | -2.7981 | ||
| 6 | 23 | -139.58 | 893.38 | ||||
| 6 | 24 | -40.13 | -0.06709 | 2150 | -2.813 | ||
| 6 | 25 | 3000 | -11.81 | 2955 | -6.383 | ||
| 6 | 26 | 374.2 | -2.212 | 0.002688 | 1079 | -1.766 | 0.001238 |
| 6 | 28 | -332.4 | 4.419 | -0.007797 | 2645 | -9.172001 | 0.01177 |
| 6 | 29 | 75.71 | -0.3753 | 1334 | -1.863 | ||
| 6 | 30 | -369.8 | 2.203 | 662 | -1.903 | ||
| 6 | 31 | 33.19 | -0.2074 | -3.428 | 0.483 | ||
| 6 | 32 | 180.5 | 0.3161 | 1965 | -3.858 | ||
| 6 | 33 | 28.95 | -0.3303 | 648.8 | 0.8050001 | ||
| 6 | 35 | -185.9 | 0.03906 | 145 | -0.6343 | ||
| 6 | 36 | 164 | 135.9 | ||||
| 6 | 37 | -43.88 | 2421 | ||||
| 6 | 38 | -99.57999 | 1235 | ||||
| 6 | 39 | 101.2 | -1.078 | -269.7 | 1.732 | ||
| 6 | 41 | 308.7 | -1.175 | 678.1 | -1.335 | ||
| 6 | 42 | 68.972 | -0.41997 | 2540.7 | -3.5236 | ||
| 6 | 43 | -308.7 | 1.7454 | -0.00335 | 952.24 | -3.3287 | 0.0053598 |
| 6 | 45 | -242.6 | 0.29562 | -9.0055e-05 | 4519.3 | -19.456 | 0.025981 |
| 6 | 47 | -119.08 | 0.9938 | -52.69 | -0.7465 | ||
| 6 | 48 | 210.91 | -2.4953 | 0.0048 | -132.93 | 0.6584 | -0.00208 |
| 6 | 49 | 197.395 | -0.985958 | -195.127 | 1.17652 | ||
| 6 | 52 | 673.72 | -2.3567 | 2676.7 | -5.4899 | ||
| 6 | 53 | 137.95 | -1.4112 | 0.00172 | 524.52 | 0.4314 | -0.00166 |
| 6 | 56 | 166.42 | 0.994 | -0.003346 | 1683.48 | -8.003099 | 0.01159 |
| 6 | 61 | 34.7884 | 641.041 | ||||
| 6 | 84 | -704.2285 | -1.26236 | 0.0149627 | 152.7192 | 2.17856 | -0.0098745 |
| 6 | 85 | -348.9494 | 1.41462 | 2127.895 | -4.14737 | ||
| 6 | 87 | -1230.497 | 3.91001 | 1142.897 | -2.92427 | ||
| 6 | 89 | -671.2604 | 1.58636 | -0.0048637 | 985.4429 | -2.42145 | -0.0062036 |
| 6 | 90 | 53.7776 | -0.9791 | 94.629 | 0.30192 | ||
| 6 | 91 | 1741.061 | -4.73718 | -558.6751 | 1.11398 | ||
| 6 | 93 | 1216.71 | -5.44835 | -386.355 | 3.77874 | ||
| 6 | 98 | 1037.56 | -5.46099 | 1421.557 | 0.34143 | ||
| 7 | 8 | -2686 | 19.44 | -0.02702 | 148.4 | -2.757 | 0.002329 |
| 7 | 9 | 190.5 | -3.669 | 0.008838 | 770.6 | -0.5873 | -0.003252 |
| 7 | 10 | -1545 | 6.512 | 512.6 | -2.145 | ||
| 7 | 11 | -433.288 | 3.0862 | -0.002012 | 311.974 | -1.3412 | 0.001074 |
| 7 | 12 | 140.71 | 53.28 | ||||
| 7 | 13 | 177.665 | -3.72906 | 0.010763 | 433.207 | -0.605276 | -0.000914 |
| 7 | 14 | 798.5 | -5.869 | 0.01032 | -980.6 | 3.671 | -0.005908 |
| 7 | 15 | 1524 | -2.531 | -851 | 1.034 | ||
| 7 | 16 | 274.5 | -0.5905 | 0.002205 | -446 | -0.7738 | 0.002634 |
| 7 | 17 | 158.4 | 0.5246 | -131 | -0.7957 | ||
| 7 | 18 | -3178.5 | 9.8213 | -0.0034 | -393.18 | 0.5546 | -0.0029 |
| 7 | 19 | -634.1 | 3.59 | 509.6 | -1.916 | ||
| 7 | 20 | -1795.2 | 12.708 | -0.015455 | 624.97 | -4.6878 | 0.0052371 |
| 7 | 21 | 86.68999 | 1.592 | 313.3 | -0.5041 | ||
| 7 | 22 | 134.1 | 0.9495 | 748.2 | -1.319 | ||
| 7 | 24 | 1008 | -1.795 | 1282 | -2.815 | ||
| 7 | 25 | -1895 | 9.303 | 591.6 | -3.08 | ||
| 7 | 26 | -595.7 | 2.634 | 882.6 | -2.606 | ||
| 7 | 30 | -123.8 | 3.847 | 501.4 | -1.939 | ||
| 7 | 31 | 372.5 | -0.9091 | -368.8 | 0.7775 | ||
| 7 | 33 | 822.2 | -17.99 | ||||
| 7 | 35 | 117 | -0.611 | -370.8 | 0.1043 | ||
| 7 | 36 | 419.8 | 2.436 | 276.9 | -0.9948 | ||
| 7 | 39 | -494.2 | 2.826 | -121.8 | -0.6029 | ||
| 7 | 41 | 676 | -0.9909 | 808.4 | -2.929 | ||
| 7 | 42 | 274.37 | -0.5861 | -0.00030011 | 1632.9 | -2.8719 | 0.003455 |
| 7 | 43 | -75.7467 | -0.98514 | 0.0033318 | 717.485 | -1.48515 | -7.437899e-14 |
| 7 | 44 | -804.28 | 2.828 | 594.45 | -2.2535 | ||
| 7 | 45 | 509.3 | -0.29 | -523.8 | 3.158 | ||
| 7 | 46 | 659.22 | -1.8841 | -588.21 | 0.9707 | ||
| 7 | 47 | 934.67 | -4.4232 | 0.006054 | -649.31 | 1.3487 | -0.001586 |
| 7 | 48 | 64.43999 | -0.0094 | -439.58 | 0.3142 | ||
| 7 | 49 | -1119.8 | 7.95909 | -0.008555 | -128.903 | -0.468519 | -0.000916 |
| 7 | 53 | 499.44 | -6.6553 | 0.01656 | 952.57 | -0.8437 | -0.0048 |
| 7 | 56 | -302.93 | 0.5975 | 652.86 | -1.8013 | ||
| 7 | 61 | 1038.3 | -270.53 | ||||
| 7 | 84 | 659.2109 | -0.59252 | 0.0451602 | 151.31 | -3.00895 | 0.0019814 |
| 7 | 85 | 2770.851 | -2.00944 | 1996.724 | -5.47448 | ||
| 7 | 89 | 2707.161 | -2.51124 | -0.0022558 | -399.1902 | 0.16195 | -0.0067585 |
| 7 | 90 | -1616.174 | 5.32305 | 275.7479 | -1.97057 | ||
| 7 | 91 | 318.2128 | -1.42376 | 385.0068 | -2.49001 | ||
| 7 | 93 | 4878.28 | -6.38758 | -444.615 | -0.776483 | ||
| 7 | 98 | 206.2641 | -2.57259 | 0.0032526 | -371.2031 | 0.99046 | -0.000807 |
| 8 | 9 | -145.2 | -0.738 | -666.8 | 1.918 | ||
| 8 | 10 | 5.604 | -410.21 | ||||
| 8 | 11 | -212.9 | -224.4 | ||||
| 8 | 13 | -329.3 | -80.58 | ||||
| 8 | 17 | 542 | -6.792 | 0.01655 | -131.1 | -0.9399 | 0.000469 |
| 8 | 18 | -4080.9 | 12.859 | -0.0101 | -41.594 | -3.5887 | 0.004 |
| 8 | 20 | 401.88 | 281.08 | ||||
| 8 | 24 | 2356 | -3.347 | 2157 | -3.718 | ||
| 8 | 25 | 555.5 | 1554 | ||||
| 8 | 31 | -309 | 191.7 | ||||
| 8 | 42 | 391.2 | -0.8799 | 3630 | -6.23 | ||
| 8 | 52 | 4911.4 | 9.8501 | 2332.5 | -4.0832 | ||
| 9 | 10 | 197.6 | -93.07999 | ||||
| 9 | 11 | -16.486 | -0.27924 | 33.415 | 0.21913 | ||
| 9 | 12 | -83.57 | 101.3 | ||||
| 9 | 13 | 3645 | -26.91 | 0.04757 | 695.8 | -0.9619 | -0.002462 |
| 9 | 15 | -47.97 | 119.5 | ||||
| 9 | 16 | -389.6 | 0.1944 | 0.001863 | 2831 | -13.01 | 0.01558 |
| 9 | 17 | 1732 | -9.896001 | 0.0141 | 1460 | -13.73 | 0.02917 |
| 9 | 18 | -1908.7 | 4.1057 | 307.16 | -0.8161 | ||
| 9 | 19 | -191 | 0.6835 | 79.08 | -0.3808 | ||
| 9 | 20 | -109.51 | 0.96888 | 178.22 | -0.91676 | ||
| 9 | 21 | -99.97601 | 55.27 | ||||
| 9 | 22 | -18.695 | -0.52606 | -218.94 | 1.0749 | ||
| 9 | 23 | 810.17 | -3.2209 | 0.0021443 | -48.641 | -0.79498 | 0.0037129 |
| 9 | 24 | -208.71 | 0.8293 | -0.0014 | 155.73 | 1.4412 | -0.0025 |
| 9 | 25 | 1297 | -1.365 | -0.02253 | 1375 | 2.499 | 0.006309 |
| 9 | 26 | -35.89 | -0.1009 | -32.6 | 0.0847 | ||
| 9 | 27 | -169.6 | 2.986 | -328.1 | 0.3045 | ||
| 9 | 28 | 419.9 | 0.09772 | 315.3 | -0.5617 | ||
| 9 | 29 | 2.714 | 64.41 | ||||
| 9 | 30 | -986 | 3.847 | 277 | -1.357 | ||
| 9 | 31 | 478.5 | -1.148 | -72.58 | 0.4909 | ||
| 9 | 32 | 346.6 | -0.7017 | -182 | 0.7905 | ||
| 9 | 33 | -717.76 | 2.9431 | 319.69 | -1.4362 | ||
| 9 | 34 | -62.43 | -0.8977 | -481.2 | 9.604 | ||
| 9 | 35 | -76.87 | 0.5372 | 38.06 | -0.5189 | ||
| 9 | 37 | 64.01 | -1.077 | -153.4 | 3.143 | ||
| 9 | 39 | 80.79201 | -3.702 | 0.011586 | 1955.5 | -10 | 0.011386 |
| 9 | 41 | 64.21 | -148.3 | ||||
| 9 | 42 | 437.739 | -2.7983 | 0.00364 | 364.423 | 2.1022 | -0.004653 |
| 9 | 43 | -62.857 | 0.2898 | 80.038 | -0.10124 | ||
| 9 | 45 | -497.98 | 0.79715 | 0.00029817 | 945.14 | -3.8168 | 0.0045351 |
| 9 | 47 | 502.1 | 0.3401 | 141.01 | -0.9829 | ||
| 9 | 48 | 37.37 | -116.4 | ||||
| 9 | 49 | 410.655 | -1.1056 | -201.105 | 0.7123 | ||
| 9 | 52 | -153.7 | 0.242 | 2311.5 | -6.6054 | ||
| 9 | 84 | 173.4451 | -5.52695 | 0.0160979 | 958.3726 | -4.73012 | 0.0047161 |
| 9 | 85 | 824.1235 | -2.88368 | 0.0041569 | 670.0023 | -5.05233 | 0.0074865 |
| 9 | 87 | 99.5504 | 0.45575 | -1504.191 | 4.63058 | ||
| 9 | 89 | 147.2528 | -2.74448 | 177.8232 | -2.24998 | ||
| 9 | 90 | 331.1518 | -1.11421 | -30.955 | -0.71244 | ||
| 9 | 91 | 571.6566 | -4.43975 | -1449.573 | 4.44554 | ||
| 9 | 98 | 519.4855 | -5.4673 | 0.0068391 | 3306.365 | 0.15196 | -0.0082641 |
| 10 | 11 | -208.4 | 389.7 | ||||
| 10 | 12 | -160.7 | 226.6 | ||||
| 10 | 13 | 209 | -0.6241 | 235.7 | 0.1314 | ||
| 10 | 20 | 435.64 | -188 | ||||
| 10 | 21 | 985.7 | -2.986 | -888.3 | 3.426 | ||
| 10 | 22 | -41.537 | 354.71 | ||||
| 10 | 29 | -373.7 | -397.5 | ||||
| 10 | 30 | -742.7 | -214.8 | ||||
| 10 | 32 | 114.3 | 293.5 | ||||
| 10 | 34 | 236.6 | -93.066 | ||||
| 10 | 37 | -43.56 | 945.6 | ||||
| 10 | 39 | 2371 | -225.3 | ||||
| 10 | 42 | 716.7 | -1.516 | 1161 | -0.5724 | ||
| 11 | 12 | 342.4 | -251.7 | ||||
| 11 | 13 | 195.3 | -9.75 | 0.04051 | 824.2 | -6.009 | 0.008271 |
| 11 | 15 | 3168 | -24.07 | 0.04303 | 3329 | -13.78 | 0.01193 |
| 11 | 16 | 152.8 | -1.099 | 160.8 | 0.8719 | ||
| 11 | 17 | -1355 | 7.683001 | -0.01012 | 3499 | -22.96 | 0.03543 |
| 11 | 18 | 87.6 | 1.4109 | 45.309 | -1.4281 | ||
| 11 | 19 | -193.23 | 0.43006 | 139.55 | -0.43665 | ||
| 11 | 20 | 62.031 | 1.0567 | 59.594 | -0.71198 | ||
| 11 | 21 | -49.339 | 48.852 | ||||
| 11 | 22 | 168.17 | -1.0536 | -461.35 | 1.8569 | ||
| 11 | 24 | -5.71 | -0.2724 | 223.4 | 0.1237 | ||
| 11 | 25 | 3351 | -14.54 | -788.6 | 1.693 | ||
| 11 | 26 | 9.222 | -0.3292 | -50.36 | 0.02448 | ||
| 11 | 28 | 861.1 | -1.693 | 280 | -0.9491 | ||
| 11 | 30 | 80.68999 | -136.3 | ||||
| 11 | 31 | -72.07 | 69.25 | ||||
| 11 | 32 | 82.96 | 11.62 | ||||
| 11 | 33 | -386.3 | 1.892 | 248.3 | -1.198 | ||
| 11 | 35 | 296.8 | -1.264 | -337.1 | 0.8843 | ||
| 11 | 36 | -92.12 | 0.9031 | 503.5 | -1.792 | ||
| 11 | 37 | -201.4 | 0.5487 | -320 | 1.052 | ||
| 11 | 39 | 96.77 | 0.4827 | 16.69 | -0.5966 | ||
| 11 | 41 | -338.8 | 1.837 | 3.924 | -1.174 | ||
| 11 | 42 | 374.1 | -1.976 | 0.001682 | 460.8 | -0.06206 | 4.1e-05 |
| 11 | 43 | -28.231 | 36.948 | ||||
| 11 | 44 | 745.4 | -447.04 | ||||
| 11 | 45 | -579.11 | 0.9455 | 966.35 | -2.1861 | ||
| 11 | 47 | 758.13 | -0.2593 | 32.71 | -0.8641 | ||
| 11 | 48 | 611.47 | -2.4783 | -1031.78 | 3.9906 | ||
| 11 | 49 | 2973.58 | -5.45555 | 81.6384 | -1.3111 | ||
| 11 | 56 | -1336.2 | 6.7742 | -0.0082 | 1915.2 | -9.9994 | 0.0126 |
| 11 | 61 | -1366.59 | 5.90673 | -0.007325 | 2622.04 | -11.7013 | 0.013472 |
| 12 | 18 | -9.2978 | -123.73 | ||||
| 12 | 19 | 92.21 | -33.64 | ||||
| 12 | 24 | -142.2 | 0.572 | 465.8 | -0.7730001 | ||
| 12 | 25 | 1894 | 18.79 | ||||
| 12 | 29 | 161.8 | 13.97 | ||||
| 12 | 37 | 745.4 | -0.622 | -479.1 | 0.8031 | ||
| 12 | 39 | 580.3 | -285.5 | ||||
| 12 | 42 | 227.6 | -0.7762 | 509 | -0.2248 | ||
| 12 | 44 | 489.15 | -441.01 | ||||
| 12 | 45 | 260.64 | -1.2868 | -597.09 | 2.5295 | ||
| 13 | 18 | -199.94 | -6.9867 | 0.0193 | -430.49 | -0.728 | 0.004 |
| 13 | 19 | 1987 | -8.022 | 0.01065 | -588.8 | 1.481 | -0.002636 |
| 13 | 20 | 521.48 | -310.82 | ||||
| 13 | 21 | -208.6 | -0.2571 | 0.002418 | 872 | -2.939 | 0.001269 |
| 13 | 22 | 492.9 | -6.475 | 0.01806 | 215.3 | -2.482 | 0.002745 |
| 13 | 23 | -607.35 | 2.3467 | 97.12801 | -0.64386 | ||
| 13 | 24 | -425.4 | 0.9514 | 641.2 | -1.486 | ||
| 13 | 25 | 974 | -1.368 | -0.01983 | 381.1 | -5.682 | 0.01675 |
| 13 | 26 | -305.1 | 0.7063 | 319.6 | -1.368 | ||
| 13 | 28 | 35.02 | 1.702 | 198.5 | -1.434 | ||
| 13 | 29 | 102.6 | -210.1 | ||||
| 13 | 30 | 513.7 | -299.6 | ||||
| 13 | 32 | -104.8 | 464 | ||||
| 13 | 34 | -137.87 | 169.27 | ||||
| 13 | 37 | -422.7 | 2.23 | -326.4 | 0.24 | ||
| 13 | 38 | 155.7 | -1.578 | -528.8 | 2.822 | ||
| 13 | 42 | 397 | -1.379 | -214.1 | 1.134 | ||
| 13 | 43 | -124.33 | -0.29398 | 561.14 | -0.7058 | ||
| 13 | 44 | -454.92 | 310.75 | ||||
| 13 | 45 | -515.93 | 0.3835 | 1368 | -2.6254 | ||
| 13 | 48 | 1321.52 | -361.25 | ||||
| 13 | 49 | 3858.07 | -9.278001 | 7e-06 | -224.782 | -0.410609 | -4e-06 |
| 13 | 56 | -209.209 | -0.470423 | 0.006918 | 1163.91 | -7.1332 | 0.00839 |
| 13 | 93 | -584.728 | 178.501 | ||||
| 14 | 15 | 1517 | -12.72 | 0.02557 | -1074 | 9 | -0.01795 |
| 14 | 16 | -472.4 | -0.2051 | 0.01058 | 836.6 | -5.208 | 0.004801 |
| 14 | 19 | -412.38 | -0.49092 | 0.0062553 | 2412.2 | -10.495 | 0.0097411 |
| 14 | 24 | -65.76 | -0.3148 | 333.9 | -0.1415 | ||
| 14 | 25 | 2553 | -11.9 | 3873 | -9.315001 | ||
| 14 | 29 | -205.1 | 244.4 | ||||
| 14 | 39 | 162.14 | -112.76 | ||||
| 14 | 42 | 124.3 | -1.147 | 621.9 | 0.258 | ||
| 14 | 43 | -143.07 | 182.58 | ||||
| 14 | 47 | 413.11 | -293.93 | ||||
| 14 | 56 | 190.882 | 14.9127 | ||||
| 15 | 16 | 402.6 | -1.614 | -639.9 | 2.561 | ||
| 15 | 19 | 242.2 | -131.9 | ||||
| 15 | 24 | -3.28 | 43.83 | ||||
| 15 | 25 | 3888 | -16.26 | -868.8 | 2.948 | ||
| 15 | 38 | -330.2 | 904.1 | ||||
| 15 | 39 | -88.49 | -230.55 | ||||
| 15 | 42 | -131.9 | -0.007369 | 1248 | -2.79 | ||
| 15 | 43 | -186.98 | 295.07 | ||||
| 15 | 47 | 444.67 | 0.8351 | -196.23 | -0.0511 | ||
| 15 | 56 | 1178.79 | -9.99911 | 0.020758 | 1667.89 | -7.58704 | 0.008006 |
| 16 | 22 | -473 | 0.8883 | 406.8 | -1.524 | ||
| 16 | 24 | 215.9 | -1.399 | -825.9 | 3.15 | ||
| 16 | 25 | 1622 | -4.812 | -0.01856 | -94.87 | -9.612 | 0.03722 |
| 16 | 38 | -7.532001 | -0.8077 | 35.16 | 0.09722999 | ||
| 16 | 39 | 965 | -311.9 | ||||
| 16 | 42 | 324.15 | -1.4264 | -198.32 | 1.452 | ||
| 16 | 45 | -420.24 | 0.26315 | -1035.8 | 3.078 | ||
| 16 | 47 | -729.5 | 6.2811 | -66.61 | -0.696 | ||
| 16 | 48 | 2111.24 | -235.61 | ||||
| 16 | 56 | 2662.02 | -13.9855 | 0.017738 | -1780.41 | 5.71975 | -0.00165 |
| 17 | 18 | 74.285 | 14.613 | -0.0283 | -558.39 | 1.2436 | -0.0007 |
| 17 | 19 | 393.9 | -4.703 | 0.009003 | 2987 | -9.336 | 0.007147 |
| 17 | 21 | 582.1 | -2.33 | 0.000377 | -338 | 3.372 | -0.003676 |
| 17 | 24 | 3986 | -16.15 | 0.01635 | 2626 | -10.59 | 0.01466 |
| 17 | 25 | 3709.2 | 1583.8 | ||||
| 17 | 27 | 3770 | 1.686 | 1.655 | -1.164 | ||
| 17 | 31 | 1268 | -3.042 | -818.8 | 3.229 | ||
| 17 | 39 | -391.9 | 650.7 | ||||
| 17 | 42 | 1371 | -3.323 | 1091 | -0.2657 | ||
| 17 | 47 | 1271.42 | -6.4373 | 0.006451 | -2476.18 | 10.9894 | -0.009617 |
| 18 | 19 | 746.12 | -2.1937 | -2307.8 | 5.8186 | ||
| 18 | 20 | -451.49 | -0.4031 | -2617.7 | 4.614 | ||
| 18 | 21 | -67.106 | -0.4933 | -1592.8 | 2.8397 | ||
| 18 | 22 | -978.25 | 2.1884 | 946.79 | -4.9886 | ||
| 18 | 24 | 229.66 | -1.5005 | -2111 | 6.3625 | ||
| 18 | 33 | -713.65 | 1.9191 | -763.19 | 0.603 | ||
| 18 | 38 | 197.95 | -0.3316 | -0.0004 | -1052.5 | 1.6854 | 0.0027 |
| 18 | 42 | 268.23 | -1.4137 | -5894.1 | 13.088 | ||
| 18 | 43 | -250.25 | 0.3811 | -1269.7 | 2.6335 | ||
| 18 | 45 | -516.31 | 1.6943 | -1646.8 | 2.7237 | ||
| 18 | 47 | 489.93 | -0.5591 | -0.00102 | -2250.64 | 5.4638 | -0.00015 |
| 18 | 52 | -674 | 1.8854 | 4998.6 | 1.1962 | ||
| 19 | 21 | 176.5 | -1.237 | -368.7 | 1.992 | ||
| 19 | 22 | -78.96 | 14.76 | ||||
| 19 | 24 | 65.82 | -0.6265 | 357.6 | 0.7676 | ||
| 19 | 25 | 1283 | 3.361 | -0.02978 | 2331 | -9.238001 | 0.01158 |
| 19 | 26 | 117.53 | -0.44692 | -128.21 | 0.50349 | ||
| 19 | 28 | 468.8 | 434.8 | ||||
| 19 | 29 | -18.8 | -0.3652 | 41.54 | 0.646 | ||
| 19 | 31 | 506.6 | -1.263 | 11.72 | 0.7004 | ||
| 19 | 33 | -211.2 | 362.6 | ||||
| 19 | 34 | 11.65 | -1.229 | -1428 | 7.698 | ||
| 19 | 36 | 267.1 | -144.7 | ||||
| 19 | 37 | 61.96 | -0.4161 | -19.1 | 1.195 | ||
| 19 | 39 | 57.08 | -0.7417 | -160.48 | 1.0644 | ||
| 19 | 41 | -75.67 | 26.8 | ||||
| 19 | 42 | 256.2 | -1.526 | 0.001118 | 1336 | -3.395 | 0.004586 |
| 19 | 43 | -28.653 | -0.48152 | 56.754 | 0.89781 | ||
| 19 | 45 | 237.42 | -1.2928 | -642.44 | 2.8574 | ||
| 19 | 49 | 297.646 | -0.66206 | -116.794 | 0.54754 | ||
| 19 | 56 | -50.8443 | -0.025287 | 180.813 | -0.0641231 | ||
| 20 | 21 | 27.618 | 702.4 | ||||
| 20 | 22 | 94.606 | 425.97 | ||||
| 20 | 24 | 701.95 | -1.7576 | 213.34 | 2.1861 | ||
| 20 | 25 | -1398.7 | 1000 | ||||
| 20 | 32 | 146.06 | 780.71 | ||||
| 20 | 33 | -18.328 | 753.21 | ||||
| 20 | 37 | -447.95 | 1.5141 | 283.64 | 1.5491 | ||
| 20 | 39 | -421.21 | 93.773 | ||||
| 20 | 41 | -271.176 | 1.4107 | 218.974 | -0.8061 | ||
| 20 | 42 | 1060 | -2.822 | 578.3 | 1.493 | ||
| 20 | 43 | 720.45 | -1.5187 | -140.77 | 0.309 | ||
| 20 | 44 | -65.631 | -14.016 | ||||
| 20 | 45 | 508.72 | -1.4005 | -386.93 | 2.3961 | ||
| 20 | 47 | -369.31 | -0.29 | ||||
| 20 | 48 | -400.86 | -244.69 | ||||
| 21 | 22 | 70.79 | -66.21 | ||||
| 21 | 23 | 592.4 | -4.2459 | 0.0069046 | 603.29 | -3.977 | 0.0062484 |
| 21 | 24 | 16.34 | 0.07287 | 95.05 | -0.2348 | ||
| 21 | 25 | 3985 | -15.7 | 15.62 | -1.099 | ||
| 21 | 26 | 24.44 | -0.4713 | 142.1 | -0.153 | ||
| 21 | 27 | 1248 | -2.04 | 1295 | -4.224 | ||
| 21 | 28 | 295.9 | -137.7 | ||||
| 21 | 30 | 666 | -390.6 | ||||
| 21 | 33 | 128.8 | -0.2077 | -92.68 | -0.01307 | ||
| 21 | 37 | 280 | -207.3 | ||||
| 21 | 39 | -70.45 | -59.29 | ||||
| 21 | 42 | -31.42 | -0.248 | 370.6 | -0.322 | ||
| 21 | 43 | -325.77 | 2.0412 | 70.075 | -1.149 | ||
| 21 | 44 | 530.3 | 17.052 | ||||
| 21 | 45 | 207.12 | -0.43964 | -175.29 | 0.32745 | ||
| 21 | 49 | 955.8281 | -1.00012 | -151.036 | -0.458824 | ||
| 21 | 56 | 842.486 | -1.8434 | -313.202 | 0.4139 | ||
| 22 | 23 | 187.43 | -3.446 | 0.0067179 | 1468.9 | -5 | 0.003701 |
| 22 | 24 | 46.29 | -0.2115 | 46.03 | 0.05388 | ||
| 22 | 25 | 3353 | -14.2 | 368.6 | -1.748 | ||
| 22 | 26 | 822.4 | -2.05 | -423.1 | 0.8154 | ||
| 22 | 30 | -174.6 | 106.3 | ||||
| 22 | 32 | 132.7 | -0.1183 | -23.81 | -0.09203999 | ||
| 22 | 33 | -139.6 | 1.022 | 96.4 | -0.776 | ||
| 22 | 35 | -178.3 | 0.7426 | -39.45 | -0.8556 | ||
| 22 | 37 | 160.7 | -135.9 | ||||
| 22 | 39 | -147.64 | 75.45 | ||||
| 22 | 42 | 10.7 | -0.2702 | 224.4 | -0.1399 | ||
| 22 | 43 | 108.83 | -0.86059 | -358.57 | 1.3307 | ||
| 22 | 45 | 7.3664 | 0.40456 | -1.6641 | -0.37825 | ||
| 22 | 48 | 102.8 | -0.0879 | -446.86 | 0.4276 | ||
| 22 | 49 | -1017.26 | 3.0909 | 894.509 | -2.93164 | ||
| 22 | 56 | 262.138 | -229.081 | ||||
| 23 | 24 | -323.17 | 1.1973 | 350.92 | -1.3456 | ||
| 23 | 33 | 599.82 | -364.76 | ||||
| 23 | 37 | 325.81 | -199.87 | ||||
| 23 | 42 | 289.08 | -0.5852 | -69.60101 | -0.4274 | ||
| 23 | 56 | 401.698 | 157.634 | ||||
| 24 | 25 | -131.8 | 9.802 | -0.03582 | 972.1 | -6.82 | 0.009219 |
| 24 | 26 | 441.5 | -0.5353 | -65.74 | 0.0967 | ||
| 24 | 27 | 3286 | 167.5 | ||||
| 24 | 28 | 9.362 | 1.033 | 52.01 | -0.9095 | ||
| 24 | 30 | 750.2 | 0.8165 | 100.5 | -0.8269 | ||
| 24 | 32 | 49.51 | 0.6829 | 186.4 | -0.7294 | ||
| 24 | 33 | 203.2 | -1.328 | -1360 | 7.402 | ||
| 24 | 35 | 325.2 | 0.4405 | -60.89 | -0.6321 | ||
| 24 | 36 | 902 | -194.9 | ||||
| 24 | 37 | 220.6 | 0.3756 | -134.4 | -0.3226 | ||
| 24 | 38 | 197.4 | -0.4858 | -98.98 | -0.02128 | ||
| 24 | 39 | 512.7 | 0.02702 | -168.4 | -0.123 | ||
| 24 | 42 | -37.183 | -0.047827 | 60.78 | 0.024262 | ||
| 24 | 43 | 190.45 | 0.012716 | -131.87 | -0.014204 | ||
| 24 | 45 | 22.779 | 0.042145 | 14.947 | -0.11086 | ||
| 24 | 49 | 516.966 | 0.19471 | 0.001855 | -198.677 | 0.435084 | -0.001271 |
| 24 | 52 | 1366.3 | -3.8385 | -580.46 | 1.1653 | ||
| 24 | 56 | 120.59 | 1.2816 | 261.15 | -0.8815 | ||
| 25 | 26 | 3986 | 25 | 3638 | -14.25 | ||
| 25 | 27 | -184.5 | 2.2806 | 2926.02 | -1.8141 | ||
| 25 | 33 | -69.88 | 981.5 | ||||
| 25 | 39 | -12.71 | -0.4758 | 472.49 | -0.5503 | ||
| 25 | 42 | 207.16 | -1.2206 | 223.782 | -0.5826 | ||
| 25 | 43 | 96.855 | -1.2993 | 2991.9 | -9.3959 | ||
| 25 | 45 | -27.161 | 0.611 | 4235.3 | -16.954 | ||
| 25 | 49 | 593.203 | -0.7904 | 88.32201 | 0.1605 | ||
| 26 | 27 | 85.6 | 986 | ||||
| 26 | 28 | 68.87 | 3.217 | 655.7 | -2.203 | ||
| 26 | 32 | 643.8 | -0.7376 | 17.81 | -0.2245 | ||
| 26 | 33 | 9.258 | -0.1079 | 121.4 | 0.05397 | ||
| 26 | 34 | -70.24 | 132.2 | ||||
| 26 | 37 | 159 | 108.4 | ||||
| 26 | 39 | 606.9 | -340.9 | ||||
| 26 | 42 | 119.3 | -0.5691 | 522.9 | -0.2485 | ||
| 26 | 43 | 53.75 | -47.089 | ||||
| 26 | 52 | 324.62 | -1.1828 | 11.442 | 0.7866 | ||
| 27 | 33 | 505.4 | 81.44501 | ||||
| 27 | 42 | 2004 | -4.5 | 2600 | -4.8 | ||
| 28 | 32 | 212.4 | -0.3692 | 200.6 | -0.228 | ||
| 28 | 37 | -93.31 | -0.1286 | 319.4 | 0.03419 | ||
| 28 | 42 | 29.45 | -0.9194 | 92.4 | 1.191 | ||
| 28 | 43 | 166.56 | -1.0407 | 1.0902 | 1.5927 | ||
| 28 | 45 | 89.744 | -1.0122 | 40.987 | 1.1526 | ||
| 29 | 35 | 467.1 | -360 | ||||
| 29 | 39 | 356.6 | -247.6 | ||||
| 29 | 42 | -7.465 | -0.4151 | 439.73 | -0.2619 | ||
| 30 | 37 | -277.6 | 1168 | ||||
| 30 | 42 | 96.59 | -0.7691 | 846.7 | 0.2545 | ||
| 30 | 44 | 778.78 | -384.29 | ||||
| 31 | 35 | -228.4 | -47.81 | ||||
| 31 | 39 | 373.8 | -231.6 | ||||
| 31 | 47 | -210.34 | 0.9103 | 106.79 | -0.9536999 | ||
| 32 | 33 | -536.2 | 1.995 | 558 | -1.924 | ||
| 32 | 45 | -47.772 | -0.009201 | 92.429 | 0.17437 | ||
| 33 | 35 | -83.7 | 0.1436 | -116.7 | -0.06775 | ||
| 33 | 41 | -378.1 | 2.56 | 13.78 | -0.936 | ||
| 33 | 42 | -122.5 | 0.0913 | 476.9 | -0.61 | ||
| 33 | 43 | -186.4 | 265.42 | ||||
| 33 | 56 | 2459.01 | -271.226 | ||||
| 34 | 39 | 1025 | -416.5 | ||||
| 35 | 39 | -133.35 | 0.1022 | 221.74 | -0.5021 | ||
| 35 | 45 | -322.46 | -0.020828 | 67.069 | 0.23965 | ||
| 35 | 49 | -3.44708 | -72.16901 | ||||
| 36 | 37 | -74.88 | 1004 | ||||
| 36 | 39 | -110.34 | 97.36 | ||||
| 37 | 39 | 967.74 | -306.22 | ||||
| 37 | 41 | -211.1 | 516.5 | ||||
| 37 | 42 | -24.82 | -0.5324 | 81.56 | 0.7293 | ||
| 37 | 43 | 321.62 | -4.9963 | 0.013871 | 713.9 | -2.7759 | 0.00091722 |
| 37 | 45 | 185.82 | -139 | ||||
| 38 | 39 | 190.06 | -229.97 | ||||
| 38 | 40 | -57.38 | 110.4 | ||||
| 38 | 42 | 112.7 | -0.4103 | 21.04 | -0.1288 | ||
| 38 | 43 | -22.572 | -7.56 | ||||
| 39 | 42 | 141.2 | -0.8783 | 666.5 | -0.1555 | ||
| 39 | 43 | 53.871 | -0.67747 | -54.26 | 1.0612 | ||
| 39 | 44 | -310.13 | -367.48 | ||||
| 39 | 49 | -18.3768 | -0.450261 | -2.27584 | 0.601128 | ||
| 40 | 42 | 165.6 | -109 | ||||
| 41 | 42 | 683.3 | 6.321 | 865 | -2.89 | ||
| 42 | 43 | 242.49 | -0.038323 | 20.834 | -0.34718 | ||
| 42 | 45 | 183.79 | -0.15182 | -61.922 | -0.059442 | ||
| 42 | 46 | 298.46 | -0.6823 | 499.59 | -0.8158 | ||
| 42 | 47 | 2187.67 | -1.057 | 165.66 | -0.9151 | ||
| 42 | 48 | 499.19 | 0.5131 | 148.66 | -1.0328 | ||
| 42 | 49 | -49.6851 | 3.86633 | 159.179 | -1.11479 | ||
| 42 | 52 | 313.43 | 0.0911 | -30.564 | -0.2455 | ||
| 42 | 55 | 373.49 | 0.0647 | 75.45 | -0.6572 | ||
| 42 | 56 | -581.16 | 4.1194 | 660.47 | -2.0132 | ||
| 42 | 61 | 509.274 | -0.533745 | -108.172 | -0.132539 | ||
| 42 | 84 | -883.9302 | 4.0287 | 360.0808 | -1.37211 | ||
| 42 | 85 | 493.7747 | -4.10779 | 0.0119213 | 986.9591 | -2.85003 | 0.0018563 |
| 42 | 87 | -501.6695 | 1.6261 | -935.6061 | 4.67403 | ||
| 42 | 89 | -381.9636 | -3.00577 | 0.0076136 | 2358.513 | -1.30922 | 0.0137839 |
| 42 | 90 | -1078.495 | 3.65154 | 1039.753 | -3.51543 | ||
| 42 | 91 | 1654.642 | -4.24837 | -171.2349 | 0.62135 | ||
| 42 | 93 | 246.348 | -1.9006 | 1120.89 | -3.1028 | ||
| 42 | 98 | 449.5142 | 2.1727 | 0.0360498 | 4258.272 | 0.34026 | -0.029654 |
| 43 | 45 | -523.96 | 0.4945 | 1414 | -2.8776 | ||
| 43 | 56 | 19.221 | 0.4413 | 117.208 | -0.3946 | ||
| 43 | 84 | -617.0431 | 2.40181 | -323.6833 | -0.13058 | ||
| 43 | 85 | 826.0889 | -0.93908 | -450.7675 | 0.94786 | ||
| 43 | 89 | 580.1045 | -2.24427 | -0.0080098 | 4927.307 | -0.63511 | -0.0351738 |
| 43 | 90 | 277.9974 | 0.25973 | 122.9861 | -1.96464 | ||
| 43 | 91 | -312.4461 | 1.126 | 186.7351 | -0.9786 | ||
| 45 | 56 | 184.792 | -76.1382 | ||||
| 46 | 52 | -1423.7 | 3.9162 | 1738.5 | -3.9729 | ||
| 47 | 48 | -91.65 | -0.3411 | 117.57 | 0.7114 | ||
| 47 | 49 | -188.913 | 308.235 | ||||
| 53 | 56 | 912.2161 | -2.02314 | -604.897 | 1.04748 | ||
| 55 | 56 | -9.63211 | 0.555403 | -6.5e-05 | 125.526 | 0.289226 | -0.000969 |
| 56 | 61 | 200.04 | 0.1979 | -0.0016 | 742.31 | -4.1234 | 0.0078 |
| 84 | 85 | -103.0519 | -1.42845 | 0.0094424 | 283.1673 | -5.14586 | 0.0208006 |
| 84 | 89 | -107.3735 | -3.90856 | 0.0005537 | 1094.895 | -4.10982 | 2.63e-05 |
| 84 | 91 | 133.3952 | -2.64806 | -0.0025991 | -591.0368 | 0.45605 | -0.0035024 |
| 84 | 98 | -113.0145 | -1.48378 | -35.932 | -1.52136 | ||
| 84 | 99 | 4542.127 | 0.85207 | -0.0518203 | -4116.333 | -1.71395 | -0.0073933 |
| 85 | 87 | -1403.31 | -4.02583 | 0.0382461 | -516.843 | -3.5941 | 0.0160959 |
| 85 | 90 | 855.7144 | -1.14021 | -254.6989 | -0.46519 | ||
| 87 | 91 | -1138.034 | 0.70013 | 1824.841 | -4.26948 | ||
| 89 | 90 | -1679.977 | 4.40837 | -0.0092342 | 4209.48 | -0.75036 | -0.0356672 |
List of Sub Groups and their Group Surfaces and Volumes
This table also shows the assignment of sub groups to the coressponding main groups.
| No. | Subgroup Name | Main Group No. | Main Group Name | R | Q |
| 1 | CH3 | 1 | CH2 | 0.6325 | 1.0608 |
| 2 | CH2 | 1 | CH2 | 0.6325 | 0.7081 |
| 3 | CH | 1 | CH2 | 0.6325 | 0.3554 |
| 4 | C | 1 | CH2 | 0.6325 | 0.0000 |
| 5 | CH2=CH | 2 | C=C | 1.2832 | 1.6016 |
| 6 | CH=CH | 2 | C=C | 1.2832 | 1.2489 |
| 7 | CH2=C | 2 | C=C | 1.2832 | 1.2489 |
| 8 | CH=C | 2 | C=C | 1.2832 | 0.8962 |
| 9 | ACH | 3 | ACH | 0.3763 | 0.4321 |
| 10 | AC | 3 | ACH | 0.3763 | 0.2113 |
| 11 | ACCH3 | 4 | ACCH2 | 0.9100 | 0.9490 |
| 12 | ACCH2 | 4 | ACCH2 | 0.9100 | 0.7962 |
| 13 | ACCH | 4 | ACCH2 | 0.9100 | 0.3769 |
| 14 | OH (P) | 5 | OH | 1.2302 | 0.8927 |
| 15 | CH3OH | 6 | CH3OH | 0.8585 | 0.9938 |
| 16 | H2O | 7 | H2O | 1.7334 | 2.4561 |
| 17 | ACOH | 8 | ACOH | 1.0800 | 0.9750 |
| 18 | CH3CO | 9 | CH2CO | 1.7048 | 1.6700 |
| 19 | CH2CO | 9 | CH2CO | 1.7048 | 1.5542 |
| 20 | CHO | 10 | CHO | 0.7173 | 0.7710 |
| 21 | CH3COO | 11 | CCOO | 1.2700 | 1.6286 |
| 22 | CH2COO | 11 | CCOO | 1.2700 | 1.4228 |
| 23 | HCOO | 12 | HCOO | 1.9000 | 1.8000 |
| 24 | CH3O | 13 | CH2O | 1.1434 | 1.6022 |
| 25 | CH2O | 13 | CH2O | 1.1434 | 1.2495 |
| 26 | CHO | 13 | CH2O | 1.1434 | 0.8968 |
| 27 | THF | 43 | CY-CH2O | 1.7023 | 1.8784 |
| 28 | CH3NH2 | 14 | CH2NH2 | 1.6607 | 1.6904 |
| 29 | CH2NH2 | 14 | CH2NH2 | 1.6607 | 1.3377 |
| 30 | CHNH2 | 14 | CH2NH2 | 1.6607 | 0.9850 |
| 31 | CH3NH | 15 | CH2NH | 1.3680 | 1.4332 |
| 32 | CH2NH | 15 | CH2NH | 1.3680 | 1.0805 |
| 33 | CHNH | 15 | CH2NH | 1.3680 | 0.7278 |
| 34 | CH3N | 16 | (C)3N | 1.0746 | 1.1760 |
| 35 | CH2N | 16 | (C)3N | 1.0746 | 0.8240 |
| 36 | ACNH2 | 17 | ACNH2 | 1.1849 | 0.8067 |
| 37 | AC2H2N | 18 | PYRIDINE | 1.4578 | 0.9022 |
| 38 | AC2HN | 18 | PYRIDINE | 1.2393 | 0.6330 |
| 39 | AC2N | 18 | PYRIDINE | 1.0731 | 0.3530 |
| 40 | CH3CN | 19 | CH2CN | 1.5575 | 1.5193 |
| 41 | CH2CN | 19 | CH2CN | 1.5575 | 1.1666 |
| 42 | COOH | 20 | COOH | 0.8000 | 0.9215 |
| 43 | HCOOH | 44 | HCOOH | 0.8000 | 1.2742 |
| 44 | CH2CL | 21 | CCL | 0.9919 | 1.3654 |
| 45 | CHCL | 21 | CCL | 0.9919 | 1.0127 |
| 46 | CCL | 21 | CCL | 0.9919 | 0.6600 |
| 47 | CH2CL2 | 22 | CCL2 | 1.8000 | 2.5000 |
| 48 | CHCL2 | 22 | CCL2 | 1.8000 | 2.1473 |
| 49 | CCL2 | 22 | CCL2 | 1.8000 | 1.7946 |
| 50 | CHCL3 | 45 | CHCL3 | 2.4500 | 2.8912 |
| 51 | CCL3 | 23 | CCL3 | 2.6500 | 2.3778 |
| 52 | CCL4 | 24 | CCL4 | 2.6180 | 3.1836 |
| 53 | ACCL | 25 | ACCL | 0.5365 | 0.3177 |
| 54 | CH3NO2 | 26 | CNO2 | 2.6440 | 2.5000 |
| 55 | CH2NO2 | 26 | CNO2 | 2.5000 | 2.3040 |
| 56 | CHNO2 | 26 | CNO2 | 2.8870 | 2.2410 |
| 57 | ACNO2 | 27 | ACNO2 | 0.4656 | 0.3589 |
| 58 | CS2 | 28 | CS2 | 1.2400 | 1.0680 |
| 59 | CH3SH | 29 | CH3SH | 1.2890 | 1.7620 |
| 60 | CH2SH | 29 | CH3SH | 1.5350 | 1.3160 |
| 61 | FURFURAL | 30 | FURFURAL | 1.2990 | 1.2890 |
| 62 | DOH | 31 | DOH | 2.0880 | 2.4000 |
| 63 | I | 32 | I | 1.0760 | 0.9169 |
| 64 | BR | 33 | BR | 1.2090 | 1.4000 |
| 65 | CH=-C | 34 | C=-C | 0.9214 | 1.3000 |
| 66 | C=-C | 34 | C=-C | 1.3030 | 1.1320 |
| 67 | DMSO | 35 | DMSO | 3.6000 | 2.6920 |
| 68 | ACRY | 36 | ACRY | 1.0000 | 0.9200 |
| 69 | CL-(C=C) | 37 | CLCC | 0.5229 | 0.7391 |
| 70 | C=C | 2 | C=C | 1.2832 | 0.4582 |
| 71 | ACF | 38 | ACF | 0.8814 | 0.7269 |
| 72 | DMF | 39 | DMF | 2.0000 | 2.0930 |
| 73 | HCON(.. | 39 | DMF | 2.3810 | 1.5220 |
| 74 | CF3 | 40 | CF2 | 1.2840 | 1.2660 |
| 75 | CF2 | 40 | CF2 | 1.2840 | 1.0980 |
| 76 | CF | 40 | CF2 | 0.8215 | 0.5135 |
| 77 | COO | 41 | COO | 1.6000 | 0.9000 |
| 78 | CY-CH2 | 42 | CY-CH2 | 0.7136 | 0.8635 |
| 79 | CY-CH | 42 | CY-CH2 | 0.3479 | 0.1071 |
| 80 | CY-C | 42 | CY-CH2 | 0.3470 | 0.0000 |
| 81 | OH (S) | 5 | OH | 1.0630 | 0.8663 |
| 82 | OH (T) | 5 | OH | 0.6895 | 0.8345 |
| 83 | CY-CH2O | 43 | CY-CH2O | 1.4046 | 1.4000 |
| 84 | TRIOXAN | 43 | CY-CH2O | 1.0413 | 1.0116 |
| 85 | CNH2 | 14 | CH2NH2 | 1.6607 | 0.9850 |
| 86 | NMP | 46 | CY-CONC | 3.9810 | 3.2000 |
| 87 | NEP | 46 | CY-CONC | 3.7543 | 2.8920 |
| 88 | NIPP | 46 | CY-CONC | 3.5268 | 2.5800 |
| 89 | NTBP | 46 | CY-CONC | 3.2994 | 2.3520 |
| 91 | CONH2 | 47 | CONR | 1.4515 | 1.2480 |
| 92 | CONHCH3 | 47 | CONR | 1.5000 | 1.0800 |
| 93 | HCONHCH3 | 49 | HCONR | 2.4617 | 2.1920 |
| 94 | HCONHCH2 | 49 | HCONR | 2.4617 | 1.8420 |
| 100 | CONHCH2 | 47 | CONR | 1.5000 | 1.0800 |
| 101 | AM(CH3)2 | 48 | CONR2 | 2.4748 | 1.9643 |
| 102 | AMCH3CH2 | 48 | CONR2 | 2.2739 | 1.5754 |
| 103 | AM(CH2)2 | 48 | CONR2 | 2.0767 | 1.1866 |
| 104 | AC2H2S | 52 | ACS | 1.7943 | 1.3400 |
| 105 | AC2HS | 52 | ACS | 1.6282 | 1.0600 |
| 106 | AC2S | 52 | ACS | 1.4621 | 0.7800 |
| 107 | H2COCH | 53 | EPOXIDES | 1.3601 | 1.8031 |
| 108 | COCH | 53 | EPOXIDES | 0.6830 | 0.3418 |
| 109 | HCOCH | 53 | EPOXIDES | 0.9104 | 0.6538 |
| 110 | (CH2)2SU | 56 | SULFONE | 2.6870 | 2.1200 |
| 111 | CH2SUCH | 56 | SULFONE | 2.4600 | 1.8080 |
| 112 | (CH3)2CB | 55 | CARBONAT | 2.4200 | 2.4976 |
| 113 | (CH2)2CB | 55 | CARBONAT | 2.4200 | 2.0018 |
| 114 | CH2CH3CB | 55 | CARBONAT | 2.4200 | 2.2497 |
| 119 | H2COCH2 | 53 | EPOXIDES | 1.0630 | 1.1230 |
| 122 | CH3S | 61 | CH2S | 1.6130 | 1.3680 |
| 123 | CH2S | 61 | CH2S | 1.3863 | 1.0600 |
| 124 | CHS | 61 | CH2S | 1.1589 | 0.7480 |
| 153 | H2COC | 53 | EPOXIDES | 0.9104 | 0.6538 |
| 178 | C3H2N2+ | 84 | IMIDAZOL | 1.3662 | 0.6797 |
| 179 | BTI- | 85 | BTI | 5.6210 | 5.9463 |
| 184 | C3H3N2+ | 84 | IMIDAZOL | 1.8430 | 1.6997 |
| 189 | C4H8N+ | 87 | PYRROL | 2.7867 | 2.7723 |
| 195 | BF4- | 89 | BF4 | 3.9628 | 0.6214 |
| 196 | C5H5N+ | 90 | PYRIDIN | 2.1094 | 2.5106 |
| 197 | OTF- | 91 | OTF | 3.3710 | 2.0001 |
| 201 | -S-S- | 93 | -S-S- | 1.0678 | 2.2440 |
| 209 | SO4 | 98 | SO4 | 0.9903 | 3.5249 |
| 210 | HSO4 | 98 | SO4 | 1.5654 | 3.8076 |
| 211 | PF6 | 99 | PF6 | 3.8183 | 3.6018 |
| 220 | C5H4N+ | 90 | PYRIDIN | 2.4873 | 2.4457 |
List of Main Groups
This table shows the list of main groups and the sub group belonging to every main group.
| No. | Main Group Name | List of Subgroups |
| 1 | CH2 | [1]CH3 [2]CH2 [3]CH [4]C |
| 2 | C=C | [5]CH2=CH [6]CH=CH [7]CH2=C [8]CH=C [70]C=C |
| 3 | ACH | [9]ACH [10]AC |
| 4 | ACCH2 | [11]ACCH3 [12]ACCH2 [13]ACCH |
| 5 | OH | [14]OH (P) [81]OH (S) [82]OH (T) |
| 6 | CH3OH | [15]CH3OH |
| 7 | H2O | [16]H2O |
| 8 | ACOH | [17]ACOH |
| 9 | CH2CO | [18]CH3CO [19]CH2CO |
| 10 | CHO | [20]CHO |
| 11 | CCOO | [21]CH3COO [22]CH2COO |
| 12 | HCOO | [23]HCOO |
| 13 | CH2O | [24]CH3O [25]CH2O [26]CHO |
| 14 | CH2NH2 | [28]CH3NH2 [29]CH2NH2 [30]CHNH2 [85]CNH2 |
| 15 | CH2NH | [31]CH3NH [32]CH2NH [33]CHNH |
| 16 | (C)3N | [34]CH3N [35]CH2N |
| 17 | ACNH2 | [36]ACNH2 |
| 18 | PYRIDINE | [37]AC2H2N [38]AC2HN [39]AC2N |
| 19 | CH2CN | [40]CH3CN [41]CH2CN |
| 20 | COOH | [42]COOH |
| 21 | CCL | [44]CH2CL [45]CHCL [46]CCL |
| 22 | CCL2 | [47]CH2CL2 [48]CHCL2 [49]CCL2 |
| 23 | CCL3 | [51]CCL3 |
| 24 | CCL4 | [52]CCL4 |
| 25 | ACCL | [53]ACCL |
| 26 | CNO2 | [54]CH3NO2 [55]CH2NO2 [56]CHNO2 |
| 27 | ACNO2 | [57]ACNO2 |
| 28 | CS2 | [58]CS2 |
| 29 | CH3SH | [59]CH3SH [60]CH2SH |
| 30 | FURFURAL | [61]FURFURAL |
| 31 | DOH | [62]DOH |
| 32 | I | [63]I |
| 33 | BR | [64]BR |
| 34 | C=-C | [65]CH=-C [66]C=-C |
| 35 | DMSO | [67]DMSO |
| 36 | ACRY | [68]ACRY |
| 37 | CLCC | [69]CL-(C=C) |
| 38 | ACF | [71]ACF |
| 39 | DMF | [72]DMF [73]HCON(.. |
| 40 | CF2 | [74]CF3 [75]CF2 [76]CF |
| 41 | COO | [77]COO |
| 42 | CY-CH2 | [78]CY-CH2 [79]CY-CH [80]CY-C |
| 43 | CY-CH2O | [27]THF [83]CY-CH2O [84]TRIOXAN |
| 44 | HCOOH | [43]HCOOH |
| 45 | CHCL3 | [50]CHCL3 |
| 46 | CY-CONC | [86]NMP [87]NEP [88]NIPP [89]NTBP |
| 47 | CONR | [91]CONH2 [92]CONHCH3 [100]CONHCH2 |
| 48 | CONR2 | [101]AM(CH3)2 [102]AMCH3CH2 [103]AM(CH2)2 |
| 49 | HCONR | [93]HCONHCH3 [94]HCONHCH2 |
| 52 | ACS | [104]AC2H2S [105]AC2HS [106]AC2S |
| 53 | EPOXIDES | [107]H2COCH [108]COCH [109]HCOCH [119]H2COCH2 [153]H2COC |
| 55 | CARBONAT | [112](CH3)2CB [113](CH2)2CB [114]CH2CH3CB |
| 56 | SULFONE | [110](CH2)2SU [111]CH2SUCH |
| 61 | CH2S | [122]CH3S [123]CH2S [124]CHS |
| 84 | IMIDAZOL | [178]C3H2N2+ [184]C3H3N2+ |
| 85 | BTI | [179]BTI- |
| 87 | PYRROL | [189]C4H8N+ |
| 89 | BF4 | [195]BF4- |
| 90 | PYRIDIN | [196]C5H5N+ [220]C5H4N+ |
| 91 | OTF | [197]OTF- |
| 93 | -S-S- | [201]-S-S- |
| 98 | SO4 | [209]SO4 [210]HSO4 |
| 99 | PF6 | [211]PF6 |
Interaction Parameters Matrix
Latest News
Links:
