n Etot Vnn Eel Virial Ekin Vtot Vel Vee Vne R1 R2 R3 p dCC dCH Mean BE DelHf cal DelHf exp 1 -40.47054 13.34003 -53.81056 2.000000 40.47054 -80.94108 -94.28110 26.94847 -121.22958 0.261256 - 1.264350 1.359805 - 1.0978 96.8434 -10.866 -15.95 2 -79.76829 42.19979 -121.96807 2.000000 79.76829 -159.53657 -201.73636 69.58006 -271.31642 0.261004 1.177415 1.272352 1.357813 1.5224 1.1018 95.1368 -16.208 -16.26 3 -119.06328 82.69154 -201.75482 2.000000 119.06328 -238.12656 -320.81810 123.87247 -444.69056 0.260928 1.182776 1.274323 1.357218 1.5279 1.1026 94.2813 -19.821 -19.74 4 -158.35842 131.07072 -289.42914 2.000000 158.35842 -316.71683 -447.78755 186.06823 -633.85579 0.260890 1.184367 1.275609 1.356828 1.5296 1.1032 93.8277 -23.525 -23.63 5 -197.65358 185.76464 -383.41822 2.000000 197.65358 -395.30716 -581.07180 254.58239 -835.65419 0.260867 1.185134 1.276485 1.356562 1.5304 1.1036 93.5452 -27.245 -27.35 6 -236.94877 245.50650 -482.45527 2.000000 236.94877 -473.89755 -719.40405 328.14775 -1047.55180 0.260851 1.185570 1.277125 1.356367 1.5308 1.1039 93.3528 -30.983 -31.09 7 -276.24398 309.56194 -585.80592 2.000000 276.24398 -552.48795 -862.04989 406.02785 -1268.07774 0.260840 1.185852 1.277611 1.356220 1.5311 1.1041 93.2133 -34.729 -34.83 8 -315.53920 377.30988 -692.84908 2.000000 315.53919 -631.07839 -1008.38827 487.60156 -1495.98983 0.260832 1.186046 1.277994 1.356104 1.5313 1.1043 93.1076 -38.483 -38.57 9 -354.83442 448.33116 -803.16558 2.000000 354.83442 -709.66884 -1158.00000 572.44910 -1730.44910 0.260826 1.186188 1.278303 1.356011 1.5315 1.1044 93.0246 -42.241 -42.32 10 -394.12965 522.25898 -916.38863 2.000000 394.12965 -788.25930 -1310.51828 660.20367 -1970.72195 0.260820 1.186296 1.278558 1.355934 1.5316 1.1045 92.9579 -46.003 -46.06 11 -433.42488 598.82355 -1032.24844 2.000000 433.42489 -866.84977 -1465.67333 750.59524 -2216.26856 0.260816 1.186380 1.278771 1.355870 1.5316 1.1046 92.9030 -49.767 -49.82 12 -472.72012 677.78322 -1150.50334 2.000000 472.72012 -945.44025 -1623.22347 843.38216 -2466.60563 0.260813 1.186449 1.278953 1.355816 1.5317 1.1047 92.8570 -53.534 -53.58 13 -512.01536 758.95010 -1270.96547 2.000000 512.01536 -1024.03072 -1782.98083 938.37644 -2721.35726 0.260810 1.186504 1.279109 1.355769 1.5318 1.1048 92.8180 -57.302 -57.34 14 -551.31060 842.15318 -1393.46378 2.000000 551.31060 -1102.62120 -1944.77438 1035.40706 -2980.18144 0.260807 1.186551 1.279245 1.355728 1.5318 1.1049 92.7845 -61.071 -61.10 15 -590.60585 927.25421 -1517.86006 2.000000 590.60585 -1181.21169 -2108.46590 1134.33572 -3242.80162 0.260805 1.186591 1.279364 1.355693 1.5319 1.1049 92.7553 -64.841 -64.86 16 -629.90109 1014.12579 -1644.02688 2.000000 629.90109 -1259.80218 -2273.92797 1235.03502 -3508.96300 0.260803 1.186624 1.279469 1.355661 1.5319 1.1050 92.7298 -68.612 -68.62 17 -669.19634 1102.66204 -1771.85838 2.000000 669.19634 -1338.39268 -2441.05472 1337.39906 -3778.45378 0.260801 1.186654 1.279563 1.355633 1.5319 1.1050 92.7072 -72.384 -72.39 18 -708.49159 1192.76442 -1901.25601 2.000000 708.49158 -1416.98317 -2609.74759 1441.32928 -4051.07687 0.260800 1.186680 1.279647 1.355608 1.5319 1.1050 92.6871 -76.156 -76.15 19 -747.78683 1284.34922 -2032.13605 2.000000 747.78683 -1495.57367 -2779.92288 1546.74195 -4326.66484 0.260798 1.186702 1.279723 1.355585 1.5320 1.1051 92.6690 -79.929 -79.91 20 -787.08208 1377.33797 -2164.42005 2.000000 787.08208 -1574.16417 -2951.50213 1653.55863 -4605.06076 0.260797 1.186722 1.279792 1.355564 1.5320 1.1051 92.6528 -83.702 -83.68 21 -826.37733 1471.66285 -2298.04018 2.000000 826.37734 -1652.75467 -3124.41752 1761.71147 -4886.12899 0.260796 1.186740 1.279855 1.355546 1.5320 1.1051 92.6381 -87.476 -87.44 22 -865.67258 1567.25989 -2432.93247 2.000000 865.67258 -1731.34516 -3298.60505 1871.13649 -5169.74154 0.260795 1.186756 1.279912 1.355529 1.5320 1.1052 92.6247 -91.250 -91.20 23 -904.96783 1664.07303 -2569.04086 2.000000 904.96783 -1809.93566 -3474.00869 1981.77764 -5455.78633 0.260794 1.186771 1.279965 1.355513 1.5320 1.1052 92.6124 -95.024 -94.96 24 -944.26308 1762.04916 -2706.31225 2.000000 944.26307 -1888.52615 -3650.57532 2093.58180 -5744.15712 0.260793 1.186784 1.280013 1.355498 1.5320 1.1052 92.6012 -98.799 -98.73 25 -983.55833 1861.14117 -2844.69950 2.000000 983.55833 -1967.11666 -3828.25783 2206.50186 -6034.75969 0.260793 1.186796 1.280058 1.355485 1.5321 1.1052 92.5909 -102.574 -102.49 26 -1022.85358 1961.30422 -2984.15780 2.000000 1022.85358 -2045.70716 -4007.01138 2320.49298 -6327.50436 0.260792 1.186808 1.280100 1.355473 1.5321 1.1053 92.5813 -106.349 -106.25