Al,gas Al Al,gas Al(1) JA98 13.Aug.24 69088.9 78800.0 39.329 0.0 4.974521 -0.001207 0.133678 -0.209956 1800.00 Al+,gas Al+ Al+,gas Al(1)+ JA98 13.Aug.24 207978.3 218143.6 35.839 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Al-,gas Al- Al-,gas Al(1)- JA98 13.Aug.24 58638.9 67110.4 40.185 0.0 6.966556 -0.169452 0.867773 -49.476930 1800.00 AlBO2,gas AlBO2 AlBO2,gas Al(1)B(1)O(2) JA98 13.Aug.24 -131560.0 -129400.1 64.428 0.0 27.754173 -1.264417 0.595961 -266.392169 1800.00 AlBr,gas AlBr AlBr,gas Al(1)Br(1) JA98 13.Aug.24 -5837.0 3800.0 57.270 0.0 9.091321 0.085057 -0.324750 -4.210281 1800.00 AlBr3,gas AlBr3 AlBr3,gas Al(1)Br(3) JA98 13.Aug.24 -104716.8 -98099.9 83.518 0.0 20.732254 -0.178867 -1.114879 -24.443372 1800.00 AlCl,gas AlCl AlCl,gas Al(1)Cl(1) JA98 13.Aug.24 -18581.0 -12300.0 54.483 0.0 9.285876 0.039960 -0.401380 -9.750668 1800.00 AlCl+,gas AlCl+ AlCl+,gas Al(1)Cl(1)+ JA98 13.Aug.24 197922.6 206000.0 55.494 0.0 8.993756 0.149506 -0.579839 -5.473359 1800.00 AlClF,gas AlClF AlClF,gas Al(1)Cl(1)F(1) JA98 13.Aug.24 -119970.6 -117000.0 67.614 0.0 15.773778 -0.379927 -0.797740 -53.687401 1800.00 AlClF+,gas AlClF+ AlClF+,gas Al(1)Cl(1)F(1)+ JA98 13.Aug.24 63185.9 66000.0 62.075 0.0 17.092170 -0.440341 -0.667574 -63.639751 1800.00 AlClF2,gas AlClF2 AlClF2,gas Al(1)Cl(1)F(2) JA98 13.Aug.24 -235610.2 -238800.0 71.185 0.0 24.009036 -0.828655 -1.022212 -120.707966 1800.00 OAlCl,gas OAlCl OAlCl,gas Al(1)Cl(1)O(1) JA98 13.Aug.24 -83666.1 -83200.0 59.496 0.0 17.422562 -0.504308 -0.943470 -73.508029 1800.00 AlCl2,gas AlCl2 AlCl2,gas Al(1)Cl(2) JA98 13.Aug.24 -69712.5 -67000.0 69.173 0.0 14.749021 -0.173789 -0.870144 -23.882427 1800.00 AlCl2+,gas AlCl2+ AlCl2+,gas Al(1)Cl(2)+ JA98 13.Aug.24 112300.4 115000.0 64.116 0.0 16.127384 -0.250638 -0.769293 -35.130145 1800.00 AlCl2-,gas AlCl2- AlCl2-,gas Al(1)Cl(2)- JA98 13.Aug.24 -115958.2 -115000.0 68.303 0.0 14.447625 -0.112087 -0.846805 -15.226853 1800.00 AlCl2F,gas AlCl2F AlCl2F,gas Al(1)Cl(2)F(1) JA98 13.Aug.24 -186053.8 -189000.0 74.427 0.0 22.726172 -0.577618 -1.188911 -82.671194 1800.00 AlCl3,gas AlCl3 AlCl3,gas Al(1)Cl(3) JA98 13.Aug.24 -136271.0 -139719.9 75.166 0.0 21.503410 -0.336543 -1.364804 -46.617917 1800.00 AlF,gas AlF AlF,gas Al(1)F(1) JA98 13.Aug.24 -69591.8 -63500.0 51.424 0.0 10.395474 -0.195723 -0.210832 -42.693703 1800.00 AlF+,gas AlF+ AlF+,gas Al(1)F(1)+ JA98 13.Aug.24 157463.7 165400.1 52.597 0.0 6.950924 1.545191 -0.817181 16.188161 1800.00 OAlF,gas OAlF OAlF,gas Al(1)F(1)O(1) JA98 13.Aug.24 -139361.4 -139000.0 56.720 0.0 18.779348 -0.765431 -0.682703 -114.198756 1800.00 AlF2,gas AlF2 AlF2,gas Al(1)F(2) JA98 13.Aug.24 -168361.9 -166000.0 63.147 0.0 17.106065 -0.640806 -0.511841 -93.162453 1800.00 AlF2+,gas AlF2+ AlF2+,gas Al(1)F(2)+ JA98 13.Aug.24 19918.3 22000.0 57.194 0.0 18.398771 -0.689881 -0.412180 -103.020913 1800.00 AlF2-,gas AlF2- AlF2-,gas Al(1)F(2)- JA98 13.Aug.24 -217570.3 -217000.0 62.152 0.0 16.637660 -0.552375 -0.710414 -78.952367 1800.00 OAlF2,gas OAlF2 OAlF2,gas Al(1)F(2)O(1) JA98 13.Aug.24 -262083.2 -265000.0 69.958 0.0 24.588969 -0.899054 -0.956597 -140.214634 1800.00 OAlF2-,gas OAlF2- OAlF2-,gas Al(1)F(2)O(1)- JA98 13.Aug.24 -308029.9 -313000.0 68.086 0.0 25.169002 -1.052777 -0.818400 -155.394032 1800.00 AlF3,gas AlF3 AlF3,gas Al(1)F(3) JA98 13.Aug.24 -285060.9 -289034.9 66.131 0.0 25.399731 -1.097099 -0.730981 -162.315976 1800.00 AlF4-,gas AlF4- AlF4-,gas Al(1)F(4)- JA98 13.Aug.24 -464592.5 -476000.0 70.446 0.0 30.978584 -1.045757 -2.183451 -148.568866 1800.00 LiAlF4,gas LiAlF4 LiAlF4,gas Al(1)F(4)Li(1) JA98 13.Aug.24 -433277.2 -443000.0 78.035 0.0 38.239509 -1.303284 -2.862357 -186.767947 1800.00 NaAlF4,gas NaAlF4 NaAlF4,gas Al(1)F(4)Na(1) JA98 13.Aug.24 -429994.3 -440000.0 82.432 0.0 37.515283 -1.155278 -2.441743 -165.931120 1800.00 AlH,gas AlH AlH,gas Al(1)H(1) JA98 13.Aug.24 55283.9 62000.0 44.901 0.0 12.356928 -0.334846 1.564594 -120.665876 1800.00 OAlH,gas OAlH OAlH,gas Al(1)H(1)O(1) JA98 13.Aug.24 6641.3 8000.0 51.447 0.0 25.333644 -1.885553 2.108342 -326.364340 1800.00 AlOH,gas AlOH AlOH,gas Al(1)H(1)O(1) JA98 13.Aug.24 -44442.4 -43000.0 51.728 0.0 20.674120 -0.524826 2.280453 -266.967595 1800.00 AlOH+,gas AlOH+ AlOH+,gas Al(1)H(1)O(1)+ JA98 13.Aug.24 126188.8 130000.0 54.659 0.0 19.123007 -0.313563 1.062142 -211.088057 1800.00 AlOH-,gas AlOH- AlOH-,gas Al(1)H(1)O(1)- JA98 13.Aug.24 -56613.5 -55000.0 57.316 0.0 15.258104 0.231433 0.521376 -124.190272 1800.00 OAlOH,gas OAlOH OAlOH,gas Al(1)H(1)O(2) JA98 13.Aug.24 -106838.2 -110000.0 60.801 0.0 24.510245 -0.370378 0.368471 -221.765736 1800.00 AlI,gas AlI AlI,gas Al(1)I(1) JA98 13.Aug.24 4732.8 16240.0 59.233 0.0 9.020378 0.104848 -0.258205 -2.196676 1800.00 AlI3,gas AlI3 AlI3,gas Al(1)I(3) JA98 13.Aug.24 -58394.6 -46200.0 89.296 0.0 20.433696 -0.117300 -0.941052 -15.910776 1800.00 AlN,gas AlN AlN,gas Al(1)N(1) JA98 13.Aug.24 117555.2 125000.0 54.625 0.0 10.224571 -0.143607 -0.268666 -37.136844 1800.00 AlO,gas AlO AlO,gas Al(1)O(1) JA98 13.Aug.24 9762.2 16000.0 52.196 0.0 4.641319 2.450753 -1.422655 62.062876 1800.00 AlO+,gas AlO+ AlO+,gas Al(1)O(1)+ JA98 13.Aug.24 228701.2 237331.0 55.204 0.0 11.793000 -0.457006 0.268093 -69.747581 1800.00 AlO-,gas AlO- AlO-,gas Al(1)O(1)- JA98 13.Aug.24 -68739.5 -64393.9 50.862 0.0 10.937477 -0.310795 0.024589 -58.705550 1800.00 AlO2,gas AlO2 AlO2,gas Al(1)O(2) JA98 13.Aug.24 -21911.8 -20599.9 60.189 0.0 18.171249 -0.649858 -0.466724 -95.725773 1800.00 AlO2-,gas AlO2- AlO2-,gas Al(1)O(2)- JA98 13.Aug.24 -115548.3 -116924.0 56.189 0.0 19.386173 -0.867176 -0.022973 -133.966646 1800.00 AlS,gas AlS AlS,gas Al(1)S(1) JA98 13.Aug.24 44866.6 57000.0 55.115 0.0 4.545600 2.740780 -1.209163 68.803258 1800.00 Al2,gas Al2 Al2,gas Al(2) JA98 13.Aug.24 103788.5 116400.1 55.815 0.0 6.777367 0.305068 -3.129797 100.428740 1800.00 (AlBr3)2,gas (AlBr3)2 (AlBr3)2,gas Al(2)Br(6) JA98 13.Aug.24 -226426.4 -224000.0 130.789 0.0 44.998291 -0.267161 -2.480935 -36.269407 1800.00 (AlCl3)2,gas (AlCl3)2 (AlCl3)2,gas Al(2)Cl(6) JA98 13.Aug.24 -291822.4 -309690.0 113.540 0.0 46.496603 -0.575350 -3.370315 -79.164724 1800.00 (AlF3)2,gas (AlF3)2 (AlF3)2,gas Al(2)F(6) JA98 13.Aug.24 -609666.6 -629450.0 92.565 0.0 54.991120 -2.255922 -3.188694 -329.139845 1800.00 (AlI3)2,gas (AlI3)2 (AlI3)2,gas Al(2)I(6) JA98 13.Aug.24 -130710.6 -117000.0 142.777 0.0 44.393983 -0.141741 -1.914985 -19.079957 1800.00 Al2O,gas Al2O Al2O,gas Al(2)O(1) JA98 13.Aug.24 -41342.0 -34700.0 60.309 0.0 17.682484 -0.545122 -0.295094 -82.249908 1800.00 Al2O+,gas Al2O+ Al2O+,gas Al(2)O(1)+ JA98 13.Aug.24 147205.8 155935.9 62.299 0.0 17.203515 -0.458384 -0.476690 -67.323357 1800.00 (AlO)2,gas (AlO)2 (AlO)2,gas Al(2)O(2) JA98 13.Aug.24 -95674.0 -94300.0 67.156 0.0 22.153664 -0.471065 -1.957807 -65.157058 1800.00 Al2O2+,gas Al2O2+ Al2O2+,gas Al(2)O(2)+ JA98 13.Aug.24 132124.8 135615.2 69.240 0.0 21.665654 -0.371760 -1.898639 -51.081444 1800.00 Ar+,gas Ar+ Ar+,gas Ar(1)+ JA98 13.Aug.24 362590.1 364908.7 39.772 0.0 7.786926 -0.728991 0.427511 -52.542245 1800.00 B,gas B B,gas B(1) JA98 13.Aug.24 123325.3 133843.2 36.672 0.0 4.968671 -0.000270 0.002250 -0.013024 1800.00 B+,gas B+ B+,gas B(1)+ JA98 13.Aug.24 315701.5 326653.2 33.112 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 B-,gas B- B-,gas B(1)- JA98 13.Aug.24 116700.3 125963.9 37.479 0.0 4.967220 0.000188 0.000102 0.017818 1800.00 BeBO2,gas BeBO2 BeBO2,gas B(1)Be(1)O(2) JA98 13.Aug.24 -118404.9 -115200.0 63.431 0.0 29.138052 -1.533342 0.988089 -307.601579 1800.00 BBr,gas BBr BBr,gas B(1)Br(1) JA98 13.Aug.24 45805.7 56000.0 53.776 0.0 9.980766 -0.117090 -0.340414 -29.915411 1800.00 BBrCl,gas BBrCl BBrCl,gas B(1)Br(1)Cl(1) JA98 13.Aug.24 -9309.3 -2500.0 69.081 0.0 16.890163 -0.596020 -0.436357 -87.024102 1800.00 BBrCl2,gas BBrCl2 BBrCl2,gas B(1)Br(1)Cl(2) JA98 13.Aug.24 -80883.6 -80500.0 74.187 0.0 24.576920 -0.933014 -0.820177 -138.243957 1800.00 BBrF,gas BBrF BBrF,gas B(1)Br(1)F(1) JA98 13.Aug.24 -64087.0 -57500.0 65.911 0.0 18.821859 -0.945263 0.339824 -147.309927 1800.00 BBrF2,gas BBrF2 BBrF2,gas B(1)Br(1)F(2) JA98 13.Aug.24 -196118.3 -196000.0 68.448 0.0 28.295182 -1.532359 0.737239 -262.319461 1800.00 OBBr,gas OBBr OBBr,gas B(1)Br(1)O(1) JA98 13.Aug.24 -64588.0 -60000.0 59.487 0.0 18.757860 -0.537766 0.569604 -138.865494 1800.00 BBr2,gas BBr2 BBr2,gas B(1)Br(2) JA98 13.Aug.24 5264.3 15000.0 70.426 0.0 16.301948 -0.483108 -0.593956 -69.362746 1800.00 BBr2Cl,gas BBr2Cl BBr2Cl,gas B(1)Br(2)Cl(1) JA98 13.Aug.24 -68727.5 -65000.0 76.933 0.0 24.034149 -0.829741 -0.861485 -121.847149 1800.00 BBr2F,gas BBr2F BBr2F,gas B(1)Br(2)F(1) JA98 13.Aug.24 -126602.8 -123000.0 74.090 0.0 25.837430 -1.120712 -0.079893 -181.932994 1800.00 BHBr2,gas BHBr2 BHBr2,gas B(1)Br(2)H(1) JA98 13.Aug.24 -29908.7 -25000.0 69.853 0.0 25.609341 -0.673392 0.504541 -228.847998 1800.00 BBr3,gas BBr3 BBr3,gas B(1)Br(3) JA98 13.Aug.24 -55225.1 -48800.0 77.511 0.0 23.424659 -0.713897 -0.927126 -103.422098 1800.00 BCl,gas BCl BCl,gas B(1)Cl(1) JA98 13.Aug.24 26968.2 33800.0 50.967 0.0 10.674385 -0.252130 -0.096440 -50.636131 1800.00 BCl+,gas BCl+ BCl+,gas B(1)Cl(1)+ JA98 13.Aug.24 286253.8 295000.0 52.374 0.0 10.679900 -0.259190 -0.093628 -50.813316 1800.00 BClF,gas BClF BClF,gas B(1)Cl(1)F(1) JA98 13.Aug.24 -78269.6 -75000.0 63.253 0.0 19.395993 -1.039304 0.620263 -166.294426 1800.00 BClF2,gas BClF2 BClF2,gas B(1)Cl(1)F(2) JA98 13.Aug.24 -208369.5 -211599.9 65.686 0.0 28.928294 -1.651236 0.778323 -281.659049 1800.00 OBCl,gas OBCl OBCl,gas B(1)Cl(1)O(1) JA98 13.Aug.24 -76844.9 -75599.9 56.744 0.0 19.211409 -0.611912 0.597869 -154.196840 1800.00 BCl2,gas BCl2 BCl2,gas B(1)Cl(2) JA98 13.Aug.24 -22118.5 -19000.0 65.171 0.0 16.092729 -0.422822 -0.843687 -64.050376 1800.00 BCl2+,gas BCl2+ BCl2+,gas B(1)Cl(2)+ JA98 13.Aug.24 157546.1 161099.9 61.617 0.0 16.844316 -0.392221 -0.730429 -56.212126 1800.00 BCl2-,gas BCl2- BCl2-,gas B(1)Cl(2)- JA98 13.Aug.24 -36165.6 -35000.0 63.636 0.0 16.445919 -0.478468 -0.728327 -75.284643 1800.00 BCl2F,gas BCl2F BCl2F,gas B(1)Cl(2)F(1) JA98 13.Aug.24 -150962.0 -154000.0 68.756 0.0 26.954632 -1.332205 0.033753 -215.823243 1800.00 BHCl2,gas BHCl2 BHCl2,gas B(1)Cl(2)H(1) JA98 13.Aug.24 -57448.6 -59300.0 64.119 0.0 27.177577 -0.972075 0.866412 -276.371283 1800.00 BCl3,gas BCl3 BCl3,gas B(1)Cl(3) JA98 13.Aug.24 -92726.8 -96310.0 69.352 0.0 25.396427 -1.086018 -0.645229 -163.312807 1800.00 BF,gas BF BF,gas B(1)F(1) JA98 13.Aug.24 -34344.9 -27700.0 47.916 0.0 12.481756 -0.532286 1.222676 -114.420758 1800.00 OBF,gas OBF OBF,gas B(1)F(1)O(1) JA98 13.Aug.24 -145069.1 -144000.0 53.729 0.0 21.093177 -0.948091 1.216043 -213.722017 1800.00 BF2,gas BF2 BF2,gas B(1)F(2) JA98 13.Aug.24 -143745.9 -141000.0 59.072 0.0 20.324304 -1.207350 0.903298 -195.199144 1800.00 BF2+,gas BF2+ BF2+,gas B(1)F(2)+ JA98 13.Aug.24 74427.6 77099.9 53.812 0.0 20.725005 -1.012286 0.854591 -186.566806 1800.00 BF2-,gas BF2- BF2-,gas B(1)F(2)- JA98 13.Aug.24 -192493.8 -191700.0 57.538 0.0 20.540892 -1.234496 1.079032 -203.035044 1800.00 BHF2,gas BHF2 BHF2,gas B(1)F(2)H(1) JA98 13.Aug.24 -173267.0 -175400.1 58.324 0.0 31.799945 -1.725124 3.329823 -430.126059 1800.00 BF2OH,gas BF2OH BF2OH,gas B(1)F(2)H(1)O(1) JA98 13.Aug.24 -251349.4 -259000.0 64.334 0.0 39.624267 -1.955930 3.182807 -521.764015 1800.00 OBF2,gas OBF2 OBF2,gas B(1)F(2)O(1) JA98 13.Aug.24 -196910.6 -200000.0 64.016 0.0 30.618440 -2.029095 0.772467 -326.633227 1800.00 BF3,gas BF3 BF3,gas B(1)F(3) JA98 13.Aug.24 -267453.4 -271419.9 60.792 0.0 30.730229 -1.934846 1.543104 -342.730255 1800.00 KBF4,gas KBF4 KBF4,gas B(1)F(4)K(1) JA98 13.Aug.24 -359549.2 -371000.0 75.381 0.0 44.766031 -2.383986 0.370986 -401.355833 1800.00 BH,gas BH BH,gas B(1)H(1) JA98 13.Aug.24 98626.0 105800.0 41.073 0.0 9.977758 0.339976 1.394600 -80.278937 1800.00 HBO,gas HBO HBO,gas B(1)H(1)O(1) JA98 13.Aug.24 -49457.2 -47400.1 48.427 0.0 19.424698 -0.175360 1.911224 -225.726551 1800.00 HBO+,gas HBO+ HBO+,gas B(1)H(1)O(1)+ JA98 13.Aug.24 279426.4 283830.1 51.282 0.0 20.389613 -0.280487 2.012049 -246.114255 1800.00 HBO-,gas HBO- HBO-,gas B(1)H(1)O(1)- JA98 13.Aug.24 -60734.0 -58430.0 54.268 0.0 22.017959 -1.122507 3.185309 -290.809303 1800.00 HBO2,gas HBO2 HBO2,gas B(1)H(1)O(2) JA98 13.Aug.24 -131392.9 -134000.0 57.298 0.0 27.081560 -0.504537 2.910836 -347.054477 1800.00 HBS,gas HBS HBS,gas B(1)H(1)S(1) JA98 13.Aug.24 4037.8 12000.0 51.378 0.0 19.379563 -0.381558 0.921917 -198.702503 1800.00 HBS+,gas HBS+ HBS+,gas B(1)H(1)S(1)+ JA98 13.Aug.24 259752.9 269950.0 53.860 0.0 19.297581 -0.416003 0.997416 -187.542545 1800.00 BH2,gas BH2 BH2,gas B(1)H(2) JA98 13.Aug.24 44887.4 48000.0 43.068 0.0 18.316294 0.218502 2.004695 -215.366363 1800.00 B(OH)2,gas B(OH)2 B(OH)2,gas B(1)H(2)O(2) JA98 13.Aug.24 -107398.7 -114000.0 59.518 0.0 37.776247 -1.296832 3.169932 -492.433870 1800.00 BH3,gas BH3 BH3,gas B(1)H(3) JA98 13.Aug.24 26495.9 25500.0 44.903 0.0 24.751480 0.894104 5.472912 -387.388728 1800.00 H3BO3,gas H3BO3 H3BO3,gas B(1)H(3)O(3) JA98 13.Aug.24 -221886.5 -237159.9 70.563 0.0 47.278395 -0.668094 4.328282 -627.186736 1800.00 BI,gas BI BI,gas B(1)I(1) JA98 13.Aug.24 60968.2 73000.0 55.629 0.0 9.638229 -0.039753 -0.406319 -19.912727 1800.00 BI2,gas BI2 BI2,gas B(1)I(2) JA98 13.Aug.24 44632.9 58000.0 73.987 0.0 15.852970 -0.395185 -0.683109 -56.063696 1800.00 BI3,gas BI3 BI3,gas B(1)I(3) JA98 13.Aug.24 4980.4 17000.0 83.346 0.0 22.261088 -0.487317 -1.089691 -68.821156 1800.00 KBO2,gas KBO2 KBO2,gas B(1)K(1)O(2) JA98 13.Aug.24 -162650.3 -161099.9 71.082 0.0 26.505660 -1.016340 1.054833 -229.308380 1800.00 LiBO2,gas LiBO2 LiBO2,gas B(1)Li(1)O(2) JA98 13.Aug.24 -157070.0 -154599.9 65.661 0.0 26.710081 -1.049072 0.865538 -236.361574 1800.00 BN,gas BN BN,gas B(1)N(1) JA98 13.Aug.24 106110.2 114000.0 50.755 0.0 12.233551 -0.404224 1.313956 -113.115678 1800.00 NaBO2,gas NaBO2 NaBO2,gas B(1)Na(1)O(2) JA98 13.Aug.24 -156768.2 -155000.0 68.654 0.0 26.560598 -1.024495 0.941141 -231.288032 1800.00 BO,gas BO BO,gas B(1)O(1) JA98 13.Aug.24 -6774.1 0.0 48.631 0.0 11.732306 -0.244956 1.634036 -112.286457 1800.00 BO2,gas BO2 BO2,gas B(1)O(2) JA98 13.Aug.24 -69342.0 -68000.0 54.927 0.0 21.573786 -1.236883 0.888790 -205.080329 1800.00 BO2-,gas BO2- BO2-,gas B(1)O(2)- JA98 13.Aug.24 -164857.1 -166000.0 51.607 0.0 20.718939 -0.760569 1.307228 -217.662755 1800.00 BS,gas BS BS,gas B(1)S(1) JA98 13.Aug.24 45394.4 58099.9 51.671 0.0 12.072593 -0.522512 0.745018 -96.337058 1800.00 B2,gas B2 B2,gas B(2) JA98 13.Aug.24 184731.8 198300.0 48.296 0.0 14.529603 -1.538402 -0.499609 -103.873286 1800.00 Be(BO2)2,gas Be(BO2)2 Be(BO2)2,gas B(2)Be(1)O(4) JA98 13.Aug.24 -315544.9 -323000.0 78.103 0.0 58.516633 -3.553850 3.062671 -673.316893 1800.00 (BCl2)2,gas (BCl2)2 (BCl2)2,gas B(2)Cl(4) JA98 13.Aug.24 -109854.4 -116900.1 85.793 0.0 38.971463 -1.566465 -1.449518 -245.726530 1800.00 (BF2)2,gas (BF2)2 (BF2)2,gas B(2)F(4) JA98 13.Aug.24 -335161.3 -342200.0 76.117 0.0 47.858837 -3.102111 1.937548 -531.277111 1800.00 O(BF2)2,gas O(BF2)2 O(BF2)2,gas B(2)F(4)O(1) JA98 13.Aug.24 -440659.7 -453650.1 80.670 0.0 61.876982 -4.307313 5.303787 -811.801278 1800.00 (B(OH)2)2,gas (B(OH)2)2 (B(OH)2)2,gas B(2)H(4)O(4) JA98 13.Aug.24 -283171.4 -307000.0 83.396 0.0 75.076343 -1.677597 4.247437 -943.576917 1800.00 B2H6,gas B2H6 B2H6,gas B(2)H(6) JA98 13.Aug.24 21952.4 9800.0 55.729 0.0 74.422178 -3.169842 12.055173 -1261.671152 1800.00 B2O,gas B2O B2O,gas B(2)O(1) JA98 13.Aug.24 14911.8 23000.0 54.432 0.0 20.973528 -1.116735 2.131818 -239.218439 1800.00 (BO)2,gas (BO)2 (BO)2,gas B(2)O(2) JA98 13.Aug.24 -110837.2 -109000.0 57.982 0.0 27.512044 -0.733196 1.495421 -263.424340 1800.00 B2O3,gas B2O3 B2O3,gas B(2)O(3) JA98 13.Aug.24 -197261.7 -199800.0 67.822 0.0 35.857185 -1.295036 2.027062 -375.603417 1800.00 B3O3Cl3,gas B3O3Cl3 B3O3Cl3,gas B(3)Cl(3)O(3) JA98 13.Aug.24 -370228.0 -390000.0 91.391 0.0 72.460036 -4.374421 -0.139453 -684.507357 1800.00 B3H2O3F,gas B3H2O3F B3H2O3F,gas B(3)F(1)H(2)O(3) JA98 13.Aug.24 -364722.8 -382000.0 75.249 0.0 83.790427 -5.318222 7.431370 -1170.821992 1800.00 B3HO3F2,gas B3HO3F2 B3HO3F2,gas B(3)F(2)H(1)O(3) JA98 13.Aug.24 -456162.0 -475000.0 78.631 0.0 83.739369 -5.822986 5.911526 -1104.068034 1800.00 B3O3F3,gas B3O3F3 B3O3F3,gas B(3)F(3)O(3) JA98 13.Aug.24 -544851.8 -565300.0 81.848 0.0 80.795557 -5.675945 3.864583 -967.361301 1800.00 B3H3O3,gas B3H3O3 B3H3O3,gas B(3)H(3)O(3) JA98 13.Aug.24 -274657.7 -291000.0 69.767 0.0 83.133966 -4.705318 8.862048 -1220.809588 1800.00 (HBO2)3,gas (HBO2)3 (HBO2)3,gas B(3)H(3)O(6) JA98 13.Aug.24 -508696.0 -543000.0 83.071 0.0 93.490562 -3.498211 -0.361009 -1024.470821 1800.00 B3H6N3,gas B3H6N3 B3H6N3,gas B(3)H(6)N(3) JA98 13.Aug.24 -92809.5 -121900.1 69.006 0.0 104.129114 -3.630929 9.984935 -1572.916711 1800.00 B5H9,gas B5H9 B5H9,gas B(5)H(9) JA98 13.Aug.24 41857.8 17500.0 65.825 0.0 147.161068 -9.097771 20.885846 -2511.401519 1800.00 B10H14,gas B10H14 B10H14,gas B(10)H(14) JA98 13.Aug.24 55547.8 11300.0 84.168 0.0 249.916945 -15.781427 26.705835 -4011.404828 1800.00 Ba,gas Ba Ba,gas Ba(1) JA98 13.Aug.24 35120.5 42800.0 40.690 0.0 -1.837174 2.423808 -2.037461 143.795088 1800.00 Ba+,gas Ba+ Ba+,gas Ba(1)+ JA98 13.Aug.24 154880.7 164466.1 42.067 0.0 -3.802177 3.948604 -1.977053 169.194771 1800.00 BaBr,gas BaBr BaBr,gas Ba(1)Br(1) JA98 13.Aug.24 -35824.1 -26430.9 64.626 0.0 8.840277 0.163322 -0.150754 2.105028 1800.00 BaBr2,gas BaBr2 BaBr2,gas Ba(1)Br(2) JA98 13.Aug.24 -110577.4 -101500.0 81.756 0.0 13.936219 -0.005490 -0.233187 -0.728519 1800.00 BaCl,gas BaCl BaCl,gas Ba(1)Cl(1) JA98 13.Aug.24 -40030.6 -34000.0 61.817 0.0 8.534643 0.278504 -0.351686 8.334412 1800.00 BaCl2,gas BaCl2 BaCl2,gas Ba(1)Cl(2) JA98 13.Aug.24 -122063.3 -119200.0 77.853 0.0 13.984843 -0.015639 -0.388154 -2.099937 1800.00 BaF,gas BaF BaF,gas Ba(1)F(1) JA98 13.Aug.24 -82868.8 -77000.0 58.850 0.0 9.073278 0.096300 -0.453387 -5.018586 1800.00 BaF+,gas BaF+ BaF+,gas Ba(1)F(1)+ JA98 13.Aug.24 29054.5 35900.1 57.112 0.0 6.160213 1.155743 -1.395344 54.960652 1800.00 BaF2,gas BaF2 BaF2,gas Ba(1)F(2) JA98 13.Aug.24 -194667.5 -192099.9 72.012 0.0 14.282663 -0.077934 -0.710178 -10.525701 1800.00 BaOH,gas BaOH BaOH,gas Ba(1)H(1)O(1) JA98 13.Aug.24 -55724.2 -54120.5 60.443 0.0 11.849474 1.096375 -1.303213 6.393967 1800.00 BaOH+,gas BaOH+ BaOH+,gas Ba(1)H(1)O(1)+ JA98 13.Aug.24 62048.5 64745.9 59.098 0.0 12.036815 1.028170 -1.231476 2.567800 1800.00 Ba(OH)2,gas Ba(OH)2 Ba(OH)2,gas Ba(1)H(2)O(2) JA98 13.Aug.24 -143817.2 -149751.9 75.291 0.0 19.882620 2.101405 -2.392101 11.291506 1800.00 BaI,gas BaI BaI,gas Ba(1)I(1) JA98 13.Aug.24 -21410.6 -10137.9 66.620 0.0 8.943105 0.136521 -0.075974 -0.039781 1800.00 BaI2,gas BaI2 BaI2,gas Ba(1)I(2) JA98 13.Aug.24 -84479.9 -72400.1 83.207 0.0 13.922627 -0.002673 -0.149488 -0.340723 1800.00 BaO,gas BaO BaO,gas Ba(1)O(1) JA98 13.Aug.24 -34617.4 -29599.9 56.276 0.0 9.688650 -0.070445 -0.434243 -22.802814 1800.00 BaS,gas BaS BaS,gas Ba(1)S(1) JA98 13.Aug.24 -1967.5 9030.1 59.479 0.0 8.254152 0.321162 -0.597278 13.975851 1800.00 Be,gas Be Be,gas Be(1) JA98 13.Aug.24 68399.6 77437.9 32.570 0.0 4.966906 0.000347 -0.000353 0.023321 1800.00 Be+,gas Be+ Be+,gas Be(1)+ JA98 13.Aug.24 280459.8 291403.4 33.948 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 BeBr,gas BeBr BeBr,gas Be(1)Br(1) JA98 13.Aug.24 18517.4 28707.0 54.621 0.0 10.088500 -0.125433 -0.310886 -33.100266 1800.00 BeBr2,gas BeBr2 BeBr2,gas Be(1)Br(2) JA98 13.Aug.24 -62799.7 -54800.0 65.466 0.0 17.479711 -0.500435 -0.135446 -76.753042 1800.00 BeCl,gas BeCl BeCl,gas Be(1)Cl(1) JA98 13.Aug.24 7613.8 14500.0 52.011 0.0 10.682380 -0.258518 -0.092669 -50.882408 1800.00 BeCl+,gas BeCl+ BeCl+,gas Be(1)Cl(1)+ JA98 13.Aug.24 225951.0 234000.0 50.897 0.0 8.377004 0.489242 -0.825885 3.699515 1800.00 BeClF,gas BeClF BeClF,gas Be(1)Cl(1)F(1) JA98 13.Aug.24 -138718.2 -137000.0 58.912 0.0 18.804485 -0.710663 0.209516 -121.306633 1800.00 BeCl2,gas BeCl2 BeCl2,gas Be(1)Cl(2) JA98 13.Aug.24 -87504.8 -86099.9 60.285 0.0 18.015421 -0.592739 -0.061030 -93.958642 1800.00 BeF,gas BeF BeF,gas Be(1)F(1) JA98 13.Aug.24 -47363.8 -40599.9 49.176 0.0 12.277624 -0.524015 0.928109 -104.132925 1800.00 BeF2,gas BeF2 BeF2,gas Be(1)F(2) JA98 13.Aug.24 -191342.3 -190250.0 54.387 0.0 19.630866 -0.808159 0.489380 -153.027138 1800.00 LiBeF3,gas LiBeF3 LiBeF3,gas Be(1)F(3)Li(1) JA98 13.Aug.24 -206634.8 -212000.0 63.915 0.0 39.092909 -2.525343 -0.494049 -401.133363 1800.00 BeH,gas BeH BeH,gas Be(1)H(1) JA98 13.Aug.24 69496.4 76767.9 42.261 0.0 11.250899 0.000027 1.613350 -104.659591 1800.00 BeH+,gas BeH+ BeH+,gas Be(1)H(1)+ JA98 13.Aug.24 268073.1 276400.1 40.787 0.0 10.581826 0.170815 1.511486 -92.084986 1800.00 BeOH,gas BeOH BeOH,gas Be(1)H(1)O(1) JA98 13.Aug.24 -29697.4 -27400.1 50.094 0.0 16.067206 0.285011 0.048982 -121.794820 1800.00 BeOH+,gas BeOH+ BeOH+,gas Be(1)H(1)O(1)+ JA98 13.Aug.24 178240.4 181628.6 48.738 0.0 16.012438 0.294501 0.030295 -120.038351 1800.00 BeH2,gas BeH2 BeH2,gas Be(1)H(2) JA98 13.Aug.24 27648.7 30000.0 41.375 0.0 26.945740 -1.695092 5.269357 -433.115730 1800.00 Be(OH)2,gas Be(OH)2 Be(OH)2,gas Be(1)H(2)O(2) JA98 13.Aug.24 -153768.9 -161700.0 55.920 0.0 27.168058 0.975101 -1.316838 -186.908160 1800.00 BeI,gas BeI BeI,gas Be(1)I(1) JA98 13.Aug.24 28536.6 40635.3 56.715 0.0 9.678296 -0.031300 -0.401974 -21.079950 1800.00 BeI2,gas BeI2 BeI2,gas Be(1)I(2) JA98 13.Aug.24 -27125.0 -15300.0 69.676 0.0 16.814627 -0.380302 -0.299433 -55.990082 1800.00 BeN,gas BeN BeN,gas Be(1)N(1) JA98 13.Aug.24 94604.0 101980.9 49.897 0.0 12.080502 -0.478638 0.746234 -96.565163 1800.00 BeO,gas BeO BeO,gas Be(1)O(1) JA98 13.Aug.24 26499.3 32599.9 47.234 0.0 3.586254 2.669681 -1.333292 71.310607 1800.00 BeS,gas BeS BeS,gas Be(1)S(1) JA98 13.Aug.24 50972.0 63000.0 50.260 0.0 -4.864042 5.735628 -4.339401 264.869713 1800.00 Be2,gas Be2 Be2,gas Be(2) JA98 13.Aug.24 138921.8 152285.1 49.333 0.0 5.251500 -0.045472 1.675679 -9.524412 1800.00 (BeCl2)2,gas (BeCl2)2 (BeCl2)2,gas Be(2)Cl(4) JA98 13.Aug.24 -173045.2 -179000.0 91.175 0.0 34.807894 -0.609085 -1.788194 -87.331948 1800.00 O(BeF)2,gas O(BeF)2 O(BeF)2,gas Be(2)F(2)O(1) JA98 13.Aug.24 -286095.1 -287900.1 71.442 0.0 35.679322 -1.790311 0.714730 -306.809840 1800.00 Be2O,gas Be2O Be2O,gas Be(2)O(1) JA98 13.Aug.24 -22081.3 -15000.0 52.779 0.0 22.033295 -1.234879 1.227702 -229.050398 1800.00 (BeO)2,gas (BeO)2 (BeO)2,gas Be(2)O(2) JA98 13.Aug.24 -99680.7 -98000.0 59.180 0.0 30.956636 -2.061296 1.012474 -340.469465 1800.00 (BeO)3,gas (BeO)3 (BeO)3,gas Be(3)O(3) JA98 13.Aug.24 -247531.8 -252000.0 65.329 0.0 57.694266 -4.597131 5.549191 -818.990670 1800.00 (BeO)4,gas (BeO)4 (BeO)4,gas Be(4)O(4) JA98 13.Aug.24 -369633.1 -380000.0 72.317 0.0 74.699079 -5.908704 2.217698 -935.216751 1800.00 (BeO)5,gas (BeO)5 (BeO)5,gas Be(5)O(5) JA98 13.Aug.24 -488126.4 -505000.0 77.265 0.0 94.940328 -7.491112 2.369457 -1186.662960 1800.00 (BeO)6,gas (BeO)6 (BeO)6,gas Be(6)O(6) JA98 13.Aug.24 -612563.3 -636000.0 82.025 0.0 115.664824 -9.225296 1.919947 -1446.642881 1800.00 Br,gas Br Br,gas Br(1) JA98 13.Aug.24 19686.7 26735.2 41.830 0.0 4.549961 0.434881 0.064245 3.844746 1800.00 Br+,gas Br+ Br+,gas Br(1)+ JA98 13.Aug.24 291776.3 300452.0 42.273 0.0 5.448331 0.400945 0.480400 -19.396740 1800.00 Br-,gas Br- Br-,gas Br(1)- JA98 13.Aug.24 -57076.5 -52344.2 39.075 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 CaBr,gas CaBr CaBr,gas Br(1)Ca(1) JA98 13.Aug.24 -21440.5 -11805.9 60.443 0.0 8.978946 0.119369 -0.225482 -1.142904 1800.00 BrCl,gas BrCl BrCl,gas Br(1)Cl(1) JA98 13.Aug.24 -231.1 3500.0 57.362 0.0 9.202881 0.045539 -0.380371 -7.386449 1800.00 BrF,gas BrF BrF,gas Br(1)F(1) JA98 13.Aug.24 -17640.8 -13973.0 54.724 0.0 9.913572 -0.070800 -0.358886 -27.938438 1800.00 BrF3,gas BrF3 BrF3,gas Br(1)F(3) JA98 13.Aug.24 -54823.9 -61087.0 69.885 0.0 22.351927 -0.510976 -1.969390 -70.920639 1800.00 BrF5,gas BrF5 BrF5,gas Br(1)F(5) JA98 13.Aug.24 -83981.6 -102466.1 77.362 0.0 36.431035 -0.955276 -3.789726 -132.564812 1800.00 SBrF5,gas SBrF5 SBrF5,gas Br(1)F(5)S(1) JA98 13.Aug.24 -212451.5 -232510.0 79.744 0.0 48.308547 -2.133194 -3.933490 -305.884882 1800.00 HBr,gas HBr HBr,gas Br(1)H(1) JA98 13.Aug.24 -12789.9 -8710.1 47.490 0.0 8.670579 0.613467 1.059960 -52.776579 1800.00 SiH3Br,gas SiH3Br SiH3Br,gas Br(1)H(3)Si(1) JA98 13.Aug.24 -16670.9 -18700.0 62.731 0.0 38.771058 -1.454092 3.628327 -513.765876 1800.00 HgBr,gas HgBr HgBr,gas Br(1)Hg(1) JA98 13.Aug.24 16391.3 24900.1 64.899 0.0 8.952245 0.268478 -0.109176 -0.279980 1800.00 IBr,gas IBr IBr,gas Br(1)I(1) JA98 13.Aug.24 878.3 9770.1 61.891 0.0 8.545128 0.285481 -0.336112 8.206154 1800.00 KBr,gas KBr KBr,gas Br(1)K(1) JA98 13.Aug.24 -50861.4 -43039.9 59.879 0.0 8.961708 0.184434 -0.142967 -0.542917 1800.00 LiBr,gas LiBr LiBr,gas Br(1)Li(1) JA98 13.Aug.24 -45291.1 -36800.0 53.620 0.0 9.515200 0.034204 -0.415776 -16.348105 1800.00 MgBr,gas MgBr MgBr,gas Br(1)Mg(1) JA98 13.Aug.24 -18150.6 -8446.9 58.543 0.0 9.084548 0.086217 -0.320446 -4.022921 1800.00 MoBr,gas MoBr MoBr,gas Br(1)Mo(1) JA98 13.Aug.24 97555.4 109300.0 64.418 0.0 8.679854 0.186155 -0.340880 5.186465 1800.00 NBr,gas NBr NBr,gas Br(1)N(1) JA98 13.Aug.24 67352.8 71882.9 56.282 0.0 10.020334 -0.109362 -0.329989 -31.083217 1800.00 ONBr,gas ONBr ONBr,gas Br(1)N(1)O(1) JA98 13.Aug.24 19698.1 19630.0 65.374 0.0 17.501471 -0.482712 1.008229 -131.457134 1800.00 NaBr,gas NaBr NaBr,gas Br(1)Na(1) JA98 13.Aug.24 -42499.3 -34400.1 57.652 0.0 9.008076 0.172527 -0.241122 -1.854837 1800.00 PBr,gas PBr PBr,gas Br(1)P(1) JA98 13.Aug.24 29454.6 38862.6 59.561 0.0 9.125853 0.071574 -0.345568 -5.188214 1800.00 PbBr,gas PbBr PbBr,gas Br(1)Pb(1) JA98 13.Aug.24 7574.6 16951.0 65.122 0.0 8.254924 0.382627 -0.334894 14.291209 1800.00 SiBr,gas SiBr SiBr,gas Br(1)Si(1) JA98 13.Aug.24 45377.4 56244.0 59.134 0.0 7.712435 0.381274 -0.608335 36.576141 1800.00 SrBr,gas SrBr SrBr,gas Br(1)Sr(1) JA98 13.Aug.24 -30702.9 -21300.0 63.038 0.0 8.926803 0.133977 -0.151685 0.213413 1800.00 TiBr,gas TiBr TiBr,gas Br(1)Ti(1) JA98 13.Aug.24 39869.7 50800.0 62.201 0.0 12.137611 -0.360477 -0.628569 -39.053402 1800.00 WBr,gas WBr WBr,gas Br(1)W(1) JA98 13.Aug.24 128423.8 140099.9 65.157 0.0 7.851083 0.584740 -0.534354 20.443368 1800.00 ZrBr,gas ZrBr ZrBr,gas Br(1)Zr(1) JA98 13.Aug.24 61269.4 72000.0 63.470 0.0 9.522059 0.790543 0.400021 -27.042044 1800.00 Br2,gas Br2 Br2,gas Br(2) JA98 13.Aug.24 747.1 7387.7 58.651 0.0 8.619708 0.260470 -0.380179 5.908874 1800.00 CaBr2,gas CaBr2 CaBr2,gas Br(2)Ca(1) JA98 13.Aug.24 -100619.3 -92000.0 75.228 0.0 14.998679 -0.019894 -0.360760 -2.672964 1800.00 FeBr2,gas FeBr2 FeBr2,gas Br(2)Fe(1) JA98 13.Aug.24 -21147.0 -9900.1 80.631 0.0 12.404624 1.246857 -0.831345 45.801237 1800.00 SiH2Br2,gas SiH2Br2 SiH2Br2,gas Br(2)H(2)Si(1) JA98 13.Aug.24 -46094.6 -45500.0 74.104 0.0 34.751995 -1.033440 1.384740 -350.880271 1800.00 HgBr2,gas HgBr2 HgBr2,gas Br(2)Hg(1) JA98 13.Aug.24 -26979.2 -20424.0 76.535 0.0 14.983750 -0.016817 -0.393711 -2.247351 1800.00 (KBr)2,gas (KBr)2 (KBr)2,gas Br(2)K(2) JA98 13.Aug.24 -135946.9 -129200.0 89.921 0.0 19.883828 -0.002528 -0.282040 -0.336099 1800.00 (LiBr)2,gas (LiBr)2 (LiBr)2,gas Br(2)Li(2) JA98 13.Aug.24 -127122.1 -119700.0 75.175 0.0 20.371245 -0.104794 -1.414103 -14.090080 1800.00 MgBr2,gas MgBr2 MgBr2,gas Br(2)Mg(1) JA98 13.Aug.24 -80677.6 -72400.1 71.950 0.0 15.281160 -0.078602 -0.540715 -10.704147 1800.00 MgBr2+,gas MgBr2+ MgBr2+,gas Br(2)Mg(1)+ JA98 13.Aug.24 163552.6 174800.0 76.897 0.0 15.183699 -0.058338 -0.475927 -7.929042 1800.00 MoBr2,gas MoBr2 MoBr2,gas Br(2)Mo(1) JA98 13.Aug.24 30013.1 40000.0 76.711 0.0 12.744333 -0.023541 -2.559944 115.121923 1800.00 (NaBr)2,gas (NaBr)2 (NaBr)2,gas Br(2)Na(2) JA98 13.Aug.24 -122926.4 -116240.0 83.401 0.0 19.934154 -0.013061 -0.604319 -1.752987 1800.00 PbBr2,gas PbBr2 PbBr2,gas Br(2)Pb(1) JA98 13.Aug.24 -33671.8 -24950.0 81.115 0.0 13.937098 -0.005642 -0.256298 -0.752823 1800.00 SiBr2,gas SiBr2 SiBr2,gas Br(2)Si(1) JA98 13.Aug.24 -22062.9 -12500.0 72.951 0.0 14.278346 -0.076927 -0.743062 -10.408629 1800.00 SrBr2,gas SrBr2 SrBr2,gas Br(2)Sr(1) JA98 13.Aug.24 -105531.5 -97300.0 77.298 0.0 14.948385 -0.009390 -0.283591 -1.250292 1800.00 TiBr2,gas TiBr2 TiBr2,gas Br(2)Ti(1) JA98 13.Aug.24 -51758.6 -42800.0 73.777 0.0 12.413635 0.964386 -1.155807 50.606544 1800.00 ZrBr2,gas ZrBr2 ZrBr2,gas Br(2)Zr(1) JA98 13.Aug.24 -50657.5 -41700.0 75.712 0.0 12.357632 0.976072 -1.050254 52.189290 1800.00 SiHBr3,gas SiHBr3 SiHBr3,gas Br(3)H(1)Si(1) JA98 13.Aug.24 -74935.5 -72400.1 83.186 0.0 30.856046 -0.633962 -0.306314 -191.698705 1800.00 MoBr3,gas MoBr3 MoBr3,gas Br(3)Mo(1) JA98 13.Aug.24 -10414.0 -2000.0 89.625 0.0 19.364378 0.823131 -0.337953 -0.534544 1800.00 POBr3,gas POBr3 POBr3,gas Br(3)O(1)P(1) JA98 13.Aug.24 -92135.8 -93000.0 86.002 0.0 30.099972 -0.797793 -0.744547 -130.511534 1800.00 PBr3,gas PBr3 PBr3,gas Br(3)P(1) JA98 13.Aug.24 -40518.6 -34900.1 83.230 0.0 20.393500 -0.109300 -1.190509 -14.734889 1800.00 PSBr3,gas PSBr3 PSBr3,gas Br(3)P(1)S(1) JA98 13.Aug.24 -68086.8 -63000.0 89.108 0.0 27.600446 -0.362948 -1.671627 -50.648337 1800.00 SiBr3,gas SiBr3 SiBr3,gas Br(3)Si(1) JA98 13.Aug.24 -55663.0 -48206.0 84.076 0.0 20.712922 -0.175299 -1.298679 -23.851421 1800.00 TiBr3,gas TiBr3 TiBr3,gas Br(3)Ti(1) JA98 13.Aug.24 -96725.6 -89599.9 85.818 0.0 20.089047 -0.055239 -2.282143 24.896904 1800.00 ZrBr3,gas ZrBr3 ZrBr3,gas Br(3)Zr(1) JA98 13.Aug.24 -110440.0 -103000.0 88.811 0.0 20.000508 -0.027160 -0.708202 -3.614917 1800.00 (FeBr2)2,gas (FeBr2)2 (FeBr2)2,gas Br(4)Fe(2) JA98 13.Aug.24 -71685.2 -60500.0 123.331 0.0 28.638061 1.493434 -1.161467 59.600046 1800.00 (MgBr2)2,gas (MgBr2)2 (MgBr2)2,gas Br(4)Mg(2) JA98 13.Aug.24 -190026.8 -183500.0 110.265 0.0 31.863794 -0.014464 -0.811663 -1.935394 1800.00 MoBr4,gas MoBr4 MoBr4,gas Br(4)Mo(1) JA98 13.Aug.24 -47019.1 -40900.1 100.117 0.0 26.009655 -0.031698 -0.986005 -5.237089 1800.00 PbBr4,gas PbBr4 PbBr4,gas Br(4)Pb(1) JA98 13.Aug.24 -113135.0 -109072.9 101.864 0.0 25.922125 -0.018825 -0.680899 -2.484492 1800.00 SiBr4,gas SiBr4 SiBr4,gas Br(4)Si(1) JA98 13.Aug.24 -103300.0 -99300.0 90.670 0.0 27.006329 -0.244029 -1.624660 -33.303141 1800.00 TiBr4,gas TiBr4 TiBr4,gas Br(4)Ti(1) JA98 13.Aug.24 -136019.8 -131500.0 95.268 0.0 26.325886 -0.103340 -1.265268 -13.899866 1800.00 ZrBr4,gas ZrBr4 ZrBr4,gas Br(4)Zr(1) JA98 13.Aug.24 -159174.0 -154099.9 99.065 0.0 26.085960 -0.053092 -0.997082 -7.112991 1800.00 NbBr5,gas NbBr5 NbBr5,gas Br(5)Nb(1) JA98 13.Aug.24 -108320.3 -106020.1 107.375 0.0 32.137012 -0.071942 -1.326275 -9.634579 1800.00 WBr5,gas WBr5 WBr5,gas Br(5)W(1) JA98 13.Aug.24 -51037.3 -47599.9 110.280 0.0 30.651285 0.464698 -1.496091 22.254720 1800.00 WBr6,gas WBr6 WBr6,gas Br(6)W(1) JA98 13.Aug.24 -57631.2 -58099.9 115.368 0.0 37.924544 -0.035469 -1.301457 -4.718031 1800.00 BrO,gas BrO BrO,gas Br(1)O(1) JA98 13.Aug.24 26190.7 30059.8 55.681 0.0 9.401879 -0.216822 -1.883991 16.104192 1800.00 OBrO,gas OBrO OBrO,gas Br(1)O(2) JA98 13.Aug.24 37040.9 36318.6 64.797 0.0 17.125416 -0.635021 -0.556748 -94.576648 1800.00 BrOO,gas BrOO BrOO,gas Br(1)O(2) JA98 13.Aug.24 25271.5 25812.6 69.036 0.0 17.513905 -0.592318 1.106917 -119.155572 1800.00 BrO3,gas BrO3 BrO3,gas Br(1)O(3) JA98 13.Aug.24 59854.7 52777.5 67.999 0.0 24.952252 -1.007473 -1.508496 -149.031728 1800.00 BrOBr,gas BrOBr BrOBr,gas Br(2)O(1) JA98 13.Aug.24 23160.1 25728.5 69.508 0.0 15.084769 -0.238290 -0.946664 -33.892706 1800.00 BrBrO,gas BrBrO BrBrO,gas Br(2)O(1) JA98 13.Aug.24 36025.3 40153.0 74.738 0.0 15.415814 -0.298415 -0.437466 -44.171685 1800.00 C,gas C C,gas C(1) JA98 13.Aug.24 160431.2 171288.2 37.787 0.0 4.831130 0.048332 -0.030125 2.898505 1800.00 C+,gas C+ C+,gas C(1)+ JA98 13.Aug.24 420358.3 432465.3 36.965 0.0 4.970286 -0.000486 0.041458 -0.068491 1800.00 C-,gas C- C-,gas C(1)- JA98 13.Aug.24 131719.6 140603.3 36.182 0.0 4.256672 0.251900 -0.214264 15.061009 1800.00 AlC,gas AlC AlC,gas C(1)Al(1) JA98 13.Aug.24 151301.1 164800.0 53.406 0.0 10.287391 -0.164291 -0.247284 -38.991573 1800.00 BC,gas BC BC,gas C(1)B(1) JA98 13.Aug.24 183963.2 198000.0 49.846 0.0 12.418607 -0.529763 1.105130 -110.644991 1800.00 CBr,gas CBr CBr,gas C(1)Br(1) JA98 13.Aug.24 111196.5 122000.0 55.796 0.0 8.333834 0.198456 -0.784669 19.054313 1800.00 CBrF3,gas CBrF3 CBrF3,gas C(1)Br(1)F(3) JA98 13.Aug.24 -148814.8 -155099.9 71.182 0.0 37.744157 -2.267794 0.274234 -359.902594 1800.00 BrCN,gas BrCN BrCN,gas C(1)Br(1)N(1) JA98 13.Aug.24 39460.8 44500.0 59.360 0.0 17.460661 0.129574 0.583331 -118.831197 1800.00 CBr4,gas CBr4 CBr4,gas C(1)Br(4) JA98 13.Aug.24 8583.7 12000.0 85.587 0.0 28.824419 -0.612444 -1.681837 -85.915898 1800.00 CCl,gas CCl CCl,gas C(1)Cl(1) JA98 13.Aug.24 112358.5 120000.0 53.661 0.0 10.784452 -0.270069 0.115501 -54.103564 1800.00 COClF,gas COClF COClF,gas C(1)Cl(1)F(1)O(1) JA98 13.Aug.24 -98847.8 -102000.0 66.207 0.0 28.550660 -1.455899 0.810090 -285.163490 1800.00 CClF3,gas CClF3 CClF3,gas C(1)Cl(1)F(3) JA98 13.Aug.24 -159500.7 -169200.0 68.201 0.0 38.357170 -2.383952 0.196412 -378.498458 1800.00 ClCN,gas ClCN ClCN,gas C(1)Cl(1)N(1) JA98 13.Aug.24 31313.3 32969.9 56.485 0.0 17.875909 0.050574 0.544240 -132.544087 1800.00 COCl,gas COCl COCl,gas C(1)Cl(1)O(1) JA98 13.Aug.24 -18285.9 -15000.0 63.567 0.0 17.350054 -0.424492 0.995424 -130.518087 1800.00 CCl2,gas CCl2 CCl2,gas C(1)Cl(2) JA98 13.Aug.24 54397.2 57000.0 63.419 0.0 14.453886 1.548148 -0.542043 -55.790928 1800.00 CCl2F2,gas CCl2F2 CCl2F2,gas C(1)Cl(2)F(2) JA98 13.Aug.24 -108185.5 -117500.0 71.916 0.0 35.790923 -1.928520 -0.642691 -297.424891 1800.00 COCl2,gas COCl2 COCl2,gas C(1)Cl(2)O(1) JA98 13.Aug.24 -49208.2 -52599.9 67.829 0.0 26.166159 -1.020227 0.123234 -210.925883 1800.00 CCl3,gas CCl3 CCl3,gas C(1)Cl(3) JA98 13.Aug.24 22101.6 19000.0 70.945 0.0 24.515555 -0.926530 -1.050332 -135.855894 1800.00 CCl3F,gas CCl3F CCl3F,gas C(1)Cl(3)F(1) JA98 13.Aug.24 -59592.5 -69000.0 74.028 0.0 33.202259 -1.454881 -1.401029 -217.194334 1800.00 CCl4,gas CCl4 CCl4,gas C(1)Cl(4) JA98 13.Aug.24 -12814.8 -22940.0 74.046 0.0 30.692990 -0.985154 -2.090591 -140.580880 1800.00 CF,gas CF CF,gas C(1)F(1) JA98 13.Aug.24 53453.6 61000.0 50.916 0.0 12.353984 -0.525395 1.076018 -107.521003 1800.00 CF+,gas CF+ CF+,gas C(1)F(1)+ JA98 13.Aug.24 266497.1 274717.0 48.161 0.0 12.460143 -0.531450 1.167568 -112.792348 1800.00 FCN,gas FCN FCN,gas C(1)F(1)N(1) JA98 13.Aug.24 6999.3 8599.9 53.873 0.0 19.226251 -0.446285 1.132786 -176.856303 1800.00 COF,gas COF COF,gas C(1)F(1)O(1) JA98 13.Aug.24 -43762.7 -41000.0 59.388 0.0 20.126244 -0.971961 1.563840 -212.202650 1800.00 CF2,gas CF2 CF2,gas C(1)F(2) JA98 13.Aug.24 -45801.9 -43500.0 57.560 0.0 21.002996 -1.335641 1.047576 -215.735011 1800.00 CF2+,gas CF2+ CF2+,gas C(1)F(2)+ JA98 13.Aug.24 220874.0 225093.9 58.979 0.0 21.201499 -1.329951 1.389883 -226.545539 1800.00 COF2,gas COF2 COF2,gas C(1)F(2)O(1) JA98 13.Aug.24 -148979.2 -152700.0 61.875 0.0 30.997265 -1.881170 1.703662 -363.851639 1800.00 CF3,gas CF3 CF3,gas C(1)F(3) JA98 13.Aug.24 -109204.6 -112400.1 63.356 0.0 31.273075 -2.137327 1.241038 -348.074430 1800.00 CF3+,gas CF3+ CF3+,gas C(1)F(3)+ JA98 13.Aug.24 103075.3 100623.1 60.835 0.0 31.294483 -2.081040 1.558959 -355.440347 1800.00 CIF3,gas CIF3 CIF3,gas C(1)F(3)I(1) JA98 13.Aug.24 -136498.3 -140800.0 73.525 0.0 37.321639 -2.193535 0.280264 -346.457311 1800.00 CF4,gas CF4 CF4,gas C(1)F(4) JA98 13.Aug.24 -212358.3 -223039.9 62.481 0.0 41.000475 -2.839206 1.107673 -463.588889 1800.00 CF3OF,gas CF3OF CF3OF,gas C(1)F(4)O(1) JA98 13.Aug.24 -169163.7 -182800.0 77.087 0.0 46.698707 -2.958956 1.179739 -487.049636 1800.00 CF3SF5,gas CF3SF5 CF3SF5,gas C(1)F(8)S(1) JA98 13.Aug.24 -376965.1 -410385.0 90.814 0.0 77.983024 -4.532091 -2.797694 -695.895372 1800.00 CH,gas CH CH,gas C(1)H(1) JA98 13.Aug.24 134021.7 142000.0 43.748 0.0 5.887400 1.852668 0.482633 0.226247 1800.00 CH+,gas CH+ CH+,gas C(1)H(1)+ JA98 13.Aug.24 380137.0 388800.0 41.030 0.0 7.809300 0.843732 0.818364 -34.371258 1800.00 CHCl,gas CHCl CHCl,gas C(1)H(1)Cl(1) JA98 13.Aug.24 76273.7 80000.0 56.145 0.0 26.664949 -1.193235 5.282009 -403.535190 1800.00 CHClF2,gas CHClF2 CHClF2,gas C(1)H(1)Cl(1)F(2) JA98 13.Aug.24 -107657.5 -115099.9 67.153 0.0 38.091299 -1.765930 1.887830 -449.856393 1800.00 CHCl2F,gas CHCl2F CHCl2F,gas C(1)H(1)Cl(2)F(1) JA98 13.Aug.24 -60410.6 -67700.0 70.091 0.0 36.707957 -1.522804 1.608703 -405.802397 1800.00 CHCl3,gas CHCl3 CHCl3,gas C(1)H(1)Cl(3) JA98 13.Aug.24 -16815.7 -24659.9 70.655 0.0 34.376395 -1.112942 0.703608 -331.951004 1800.00 CHF,gas CHF CHF,gas C(1)H(1)F(1) JA98 13.Aug.24 26374.8 30000.0 53.381 0.0 17.882696 -0.021256 2.275108 -209.930384 1800.00 HCOF,gas HCOF HCOF,gas C(1)H(1)F(1)O(1) JA98 13.Aug.24 -87967.0 -90000.0 58.920 0.0 30.731677 -1.297970 3.749193 -429.831554 1800.00 CHF3,gas CHF3 CHF3,gas C(1)H(1)F(3) JA98 13.Aug.24 -158361.9 -166599.9 62.060 0.0 41.884514 -2.416861 3.698451 -572.281240 1800.00 HCN,gas HCN HCN,gas C(1)H(1)N(1) JA98 13.Aug.24 29810.0 32300.0 48.238 0.0 16.274625 0.658972 1.199971 -159.483283 1800.00 HNCO,gas HNCO HNCO,gas C(1)H(1)N(1)O(1) JA98 13.Aug.24 -22074.6 -24300.0 56.938 0.0 24.098881 0.092755 1.485797 -259.320462 1800.00 HCO,gas HCO HCO,gas C(1)H(1)O(1) JA98 13.Aug.24 6766.0 10400.1 53.692 0.0 19.816032 -0.452371 3.259862 -259.852528 1800.00 HCO+,gas HCO+ HCO+,gas C(1)H(1)O(1)+ JA98 13.Aug.24 195484.2 199099.9 48.618 0.0 16.523136 0.504683 1.204454 -162.461392 1800.00 CHP,gas CHP CHP,gas C(1)H(1)P(1) JA98 13.Aug.24 28494.0 35827.0 51.401 0.0 17.450026 0.272788 0.557372 -160.140928 1800.00 CH2,gas CH2 CH2,gas C(1)H(2) JA98 13.Aug.24 88251.7 92349.9 46.351 0.0 14.959328 0.952785 2.371658 -166.006218 1800.00 CH2ClF,gas CH2ClF CH2ClF,gas C(1)H(2)Cl(1)F(1) JA98 13.Aug.24 -56547.6 -62599.9 63.198 0.0 39.000524 -1.330322 4.564457 -560.986938 1800.00 CH2Cl2,gas CH2Cl2 CH2Cl2,gas C(1)H(2)Cl(2) JA98 13.Aug.24 -16473.2 -22830.1 64.602 0.0 36.454771 -0.900475 3.268852 -478.181474 1800.00 CH2F2,gas CH2F2 CH2F2,gas C(1)H(2)F(2) JA98 13.Aug.24 -101117.6 -107710.1 58.962 0.0 42.002350 -1.823130 6.169018 -658.584961 1800.00 H2CO,gas H2CO H2CO,gas C(1)H(2)O(1) JA98 13.Aug.24 -26271.7 -27700.0 52.330 0.0 30.698056 -0.733726 6.156217 -498.933747 1800.00 CH3,gas CH3 CH3,gas C(1)H(3) JA98 13.Aug.24 35360.9 34820.0 46.408 0.0 20.645793 1.534556 3.176855 -265.598645 1800.00 CH3Cl,gas CH3Cl CH3Cl,gas C(1)H(3)Cl(1) JA98 13.Aug.24 -14375.2 -20000.0 56.015 0.0 36.826559 -0.342218 5.678786 -575.737596 1800.00 SiCH3Cl3,gas SiCH3Cl3 SiCH3Cl3,gas C(1)H(3)Cl(3)Si(1) JA98 13.Aug.24 -111859.5 -126400.1 83.926 0.0 52.446877 0.000507 2.661586 -534.639162 1500.00 CH3F,gas CH3F CH3F,gas C(1)H(3)F(1) JA98 13.Aug.24 -50277.0 -56000.0 53.261 0.0 39.873224 -0.830247 7.565693 -675.659281 1800.00 SiCH3F3,gas SiCH3F3 SiCH3F3,gas C(1)H(3)F(3)Si(1) JA98 13.Aug.24 -279620.5 -294625.0 75.096 0.0 57.747370 -1.068412 3.855611 -691.449277 1500.00 CH4,gas CH4 CH4,gas C(1)H(4) JA98 13.Aug.24 -12133.8 -17895.1 44.515 0.0 35.716794 0.536150 8.174479 -629.832024 1800.00 CNI,gas CNI CNI,gas C(1)I(1)N(1) JA98 13.Aug.24 47036.3 54000.0 61.506 0.0 16.956062 -0.046125 0.578583 -103.623588 1800.00 KCN,gas KCN KCN,gas C(1)K(1)N(1) JA98 13.Aug.24 12805.4 19000.0 60.503 0.0 16.765460 -0.014343 0.919378 -97.025186 1800.00 CN,gas CN CN,gas C(1)N(1) JA98 13.Aug.24 96796.1 104000.0 48.432 0.0 10.117540 0.300224 1.303022 -81.123261 1800.00 CN+,gas CN+ CN+,gas C(1)N(1)+ JA98 13.Aug.24 421401.8 430870.0 51.013 0.0 12.556841 -0.360174 1.424247 -121.173814 1800.00 CN-,gas CN- CN-,gas C(1)N(1)- JA98 13.Aug.24 9265.8 14500.0 46.839 0.0 10.302708 0.145427 1.441852 -86.016185 1800.00 NaCN,gas NaCN NaCN,gas C(1)N(1)Na(1) JA98 13.Aug.24 16090.6 22530.1 58.166 0.0 16.754146 -0.007299 0.802918 -97.409692 1800.00 NC101,gas NC101 NC101,gas C(1)N(1)O(1) JA98 13.Aug.24 36095.6 38099.9 55.509 0.0 21.898112 -1.056317 1.841293 -243.032684 1800.00 CNN,gas CNN CNN,gas C(1)N(2) JA98 13.Aug.24 137251.0 139700.0 55.381 0.0 17.219227 0.084028 0.933623 -141.159884 1800.00 NCN,gas NCN NCN,gas C(1)N(2) JA98 13.Aug.24 110943.8 113000.0 54.064 0.0 22.098865 -1.268981 1.406949 -228.380627 1800.00 CO,gas CO CO,gas C(1)O(1) JA98 13.Aug.24 -32782.7 -26416.6 47.240 0.0 10.888268 -0.002353 1.605527 -98.698103 1800.00 COS,gas COS COS,gas C(1)O(1)S(1) JA98 13.Aug.24 -39579.6 -33080.1 55.349 0.0 19.845950 -0.496964 0.768028 -183.727831 1800.00 CO2,gas CO2 CO2,gas C(1)O(2) JA98 13.Aug.24 -94261.2 -94054.0 51.098 0.0 21.095341 -0.654789 1.755136 -241.626050 1800.00 CO2-,gas CO2- CO2-,gas C(1)O(2)- JA98 13.Aug.24 -106125.7 -105500.0 57.516 0.0 22.352808 -1.395143 2.622182 -278.679694 1800.00 CP,gas CP CP,gas C(1)P(1) JA98 13.Aug.24 95452.9 107527.0 51.686 0.0 12.221979 -0.545302 0.873025 -101.844913 1800.00 CS,gas CS CS,gas C(1)S(1) JA98 13.Aug.24 54689.3 67000.0 50.324 0.0 12.322631 -0.558851 0.978858 -106.010213 1800.00 CS2,gas CS2 CS2,gas C(1)S(2) JA98 13.Aug.24 15969.4 27950.0 56.878 0.0 19.723100 -0.644077 0.403873 -156.686787 1800.00 SiC,gas SiC SiC,gas C(1)Si(1) JA98 13.Aug.24 158568.8 172000.0 50.919 0.0 -5.541843 3.240580 -8.706485 405.945806 1800.00 Si2C,gas Si2C Si2C,gas C(1)Si(2) JA98 13.Aug.24 113826.0 128000.0 57.908 0.0 18.961087 -0.579182 0.584102 -140.108396 1800.00 C2,gas C2 C2,gas C(2) JA98 13.Aug.24 186834.1 200223.9 47.653 0.0 5.815420 1.314726 1.629594 40.342220 1800.00 C2-,gas C2- C2-,gas C(2)- JA98 13.Aug.24 94303.5 106000.0 46.988 0.0 11.116301 -0.004710 1.335112 -97.067437 1800.00 BeC2,gas BeC2 BeC2,gas C(2)Be(1) JA98 13.Aug.24 120910.4 135000.0 52.257 0.0 21.400947 -0.851217 2.370544 -240.460013 1800.00 C2Cl2,gas C2Cl2 C2Cl2,gas C(2)Cl(2) JA98 13.Aug.24 47430.2 50099.9 65.016 0.0 25.022417 -0.458063 0.373659 -166.174292 1800.00 C2Cl4,gas C2Cl4 C2Cl4,gas C(2)Cl(4) JA98 13.Aug.24 5169.2 -2969.9 82.080 0.0 42.181771 -1.911238 -0.164285 -321.471758 1800.00 C2Cl6,gas C2Cl6 C2Cl6,gas C(2)Cl(6) JA98 13.Aug.24 -11925.0 -32080.1 95.096 0.0 55.100971 -2.292500 -2.603727 -315.996485 1800.00 C2F2,gas C2F2 C2F2,gas C(2)F(2) JA98 13.Aug.24 2877.2 5000.0 58.332 0.0 29.990067 -1.496882 1.452833 -303.456468 1800.00 CF3CN,gas CF3CN CF3CN,gas C(2)F(3)N(1) JA98 13.Aug.24 -110352.1 -118400.1 71.351 0.0 46.941502 -2.496654 1.534065 -504.868344 1800.00 C2F4,gas C2F4 C2F4,gas C(2)F(4) JA98 13.Aug.24 -149059.5 -157400.1 71.705 0.0 48.080368 -2.795128 2.198540 -526.757931 1800.00 C2F6,gas C2F6 C2F6,gas C(2)F(6) JA98 13.Aug.24 -300701.2 -321200.0 79.394 0.0 64.770925 -4.293410 -0.229064 -653.600385 1800.00 C2H,gas C2H C2H,gas C(2)H(1) JA98 13.Aug.24 104691.9 114000.0 49.580 0.0 15.679644 0.770023 0.863623 -138.066864 1800.00 C2HCl,gas C2HCl C2HCl,gas C(2)H(1)Cl(1) JA98 13.Aug.24 47278.0 51099.9 57.838 0.0 22.764054 0.444372 0.108690 -172.988804 1800.00 C2HF,gas C2HF C2HF,gas C(2)H(1)F(1) JA98 13.Aug.24 26195.0 30000.0 55.356 0.0 23.400833 0.382151 0.551649 -200.506001 1800.00 C2H2,gas C2H2 C2H2,gas C(2)H(2) JA98 13.Aug.24 50000.0 54190.0 48.030 0.0 21.282079 1.515837 0.706700 -206.721858 1800.00 C2H4,gas C2H4 C2H4,gas C(2)H(4) JA98 13.Aug.24 16353.0 12539.9 52.421 0.0 45.878720 -0.351565 7.204656 -752.623667 1800.00 C2H4O,gas C2H4O C2H4O,gas C(2)H(4)O(1) JA98 13.Aug.24 -3145.1 -12580.1 58.081 0.0 59.687162 -1.866841 8.385974 -985.900916 1800.00 (KCN)2,gas (KCN)2 (KCN)2,gas C(2)K(2)N(2) JA98 13.Aug.24 -4900.1 -2000.0 89.180 0.0 35.327789 0.011296 1.771712 -188.680264 1800.00 C2N,gas C2N C2N,gas C(2)N(1) JA98 13.Aug.24 124191.0 133000.0 55.188 0.0 20.281056 -1.024150 0.310509 -162.427496 1800.00 (CN)2,gas (CN)2 (CN)2,gas C(2)N(2) JA98 13.Aug.24 71128.3 73870.0 57.735 0.0 26.186241 -0.306794 1.611806 -247.154399 1800.00 (NaCN)2,gas (NaCN)2 (NaCN)2,gas C(2)N(2)Na(2) JA98 13.Aug.24 -5028.9 -2099.9 82.959 0.0 35.325519 0.020799 1.291001 -189.995103 1800.00 C2O,gas C2O C2O,gas C(2)O(1) JA98 13.Aug.24 60019.4 68500.0 55.704 0.0 18.897032 0.078202 1.187881 -171.873128 1800.00 SiC2,gas SiC2 SiC2,gas C(2)Si(1) JA98 13.Aug.24 132289.9 147000.0 56.580 0.0 19.775584 -0.720457 0.981599 -168.582740 1800.00 C3,gas C3 C3,gas C(3) JA98 13.Aug.24 180321.2 196000.0 56.703 0.0 16.448387 0.002645 3.303525 -192.220292 1800.00 C3O2,gas C3O2 C3O2,gas C(3)O(2) JA98 13.Aug.24 -26206.7 -22380.0 65.983 0.0 37.084894 -1.148677 2.549155 -406.994049 1800.00 C4,gas C4 C4,gas C(4) JA98 13.Aug.24 217366.2 232000.0 54.570 0.0 30.277582 -1.328257 1.574890 -339.323833 1800.00 Si(CH3)4,gas Si(CH3)4 Si(CH3)4,gas C(4)H(12)Si(1) JA98 13.Aug.24 -35387.9 -68500.0 86.326 0.0 125.236626 1.591398 17.728052 -1942.253777 1500.00 C4N2,gas C4N2 C4N2,gas C(4)N(2) JA98 13.Aug.24 122116.9 127500.0 69.338 0.0 42.728879 -0.837372 2.591779 -428.606392 1800.00 Ni(CO)4,gas Ni(CO)4 Ni(CO)4,gas C(4)Ni(1)O(4) JA98 13.Aug.24 -140386.7 -143780.1 99.309 0.0 60.537287 -0.807025 2.428360 -471.540293 1800.00 C5,gas C5 C5,gas C(5) JA98 13.Aug.24 218802.6 234000.0 57.833 0.0 39.114838 -1.714827 1.625005 -445.628854 1800.00 Fe(CO)5,gas Fe(CO)5 Fe(CO)5,gas C(5)Fe(1)O(5) JA98 13.Aug.24 -164724.4 -173960.1 104.992 0.0 78.938550 -1.822222 2.200847 -691.327802 1800.00 Ca,gas Ca Ca,gas Ca(1) JA98 13.Aug.24 34421.6 42495.2 37.019 0.0 4.871025 0.032764 -0.030697 2.087724 1800.00 Ca+,gas Ca+ Ca+,gas Ca(1)+ JA98 13.Aug.24 174970.1 184949.3 38.396 0.0 4.835899 0.045181 -0.041280 2.831665 1800.00 CaCl,gas CaCl CaCl,gas Ca(1)Cl(1) JA98 13.Aug.24 -31301.6 -25000.0 57.734 0.0 9.067064 0.088352 -0.321005 -3.616155 1800.00 CaCl2,gas CaCl2 CaCl2,gas Ca(1)Cl(2) JA98 13.Aug.24 -114524.1 -112700.0 69.375 0.0 15.108672 -0.042884 -0.518528 -5.787323 1800.00 CaF,gas CaF CaF,gas Ca(1)F(1) JA98 13.Aug.24 -71175.7 -65000.0 54.887 0.0 9.586143 -0.037000 -0.413476 -18.459864 1800.00 CaF2,gas CaF2 CaF2,gas Ca(1)F(2) JA98 13.Aug.24 -189596.6 -187500.0 65.439 0.0 14.816976 -0.188019 -0.906540 -25.802787 1800.00 CaOH,gas CaOH CaOH,gas Ca(1)H(1)O(1) JA98 13.Aug.24 -48188.3 -46337.7 56.279 0.0 12.534214 0.927541 -1.300834 -11.776446 1800.00 CaOH+,gas CaOH+ CaOH+,gas Ca(1)H(1)O(1)+ JA98 13.Aug.24 85264.3 88213.2 54.949 0.0 12.494410 0.934349 -1.292702 -10.557074 1800.00 Ca(OH)2,gas Ca(OH)2 Ca(OH)2,gas Ca(1)H(2)O(2) JA98 13.Aug.24 -139433.6 -145976.1 68.261 0.0 20.709674 1.930630 -2.679866 -12.323636 1800.00 CaI,gas CaI CaI,gas Ca(1)I(1) JA98 13.Aug.24 -12724.7 -1205.8 62.454 0.0 8.948600 0.073294 -0.172575 -0.313500 1800.00 CaI2,gas CaI2 CaI2,gas Ca(1)I(2) JA98 13.Aug.24 -73802.6 -61700.0 78.291 0.0 14.983601 -0.016804 -0.317358 -2.242627 1800.00 CaO,gas CaO CaO,gas Ca(1)O(1) JA98 13.Aug.24 5115.9 10500.0 52.514 0.0 -0.697781 3.709623 -3.578570 195.607628 1800.00 CaS,gas CaS CaS,gas Ca(1)S(1) JA98 13.Aug.24 18213.7 29539.9 55.590 0.0 -9.581709 7.127443 -5.728612 382.649605 1800.00 Ca2,gas Ca2 Ca2,gas Ca(2) JA98 13.Aug.24 69253.6 81653.2 61.468 0.0 -0.003596 1.064720 0.443205 137.549301 1800.00 Cl,gas Cl Cl,gas Cl(1) JA98 13.Aug.24 25168.7 28991.9 39.481 0.0 4.856211 -0.115170 -0.712015 20.488916 1800.00 Cl+,gas Cl+ Cl+,gas Cl(1)+ JA98 13.Aug.24 324054.7 329541.3 40.047 0.0 3.555365 0.158758 -1.228897 56.224139 1800.00 Cl-,gas Cl- Cl-,gas Cl(1)- JA98 13.Aug.24 -57401.3 -55916.3 36.653 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 CoCl,gas CoCl CoCl,gas Cl(1)Co(1) JA98 13.Aug.24 38683.8 46099.9 58.719 0.0 9.008437 0.069880 -0.411672 -2.944844 1800.00 CsCl,gas CsCl CsCl,gas Cl(1)Cs(1) JA98 13.Aug.24 -61631.7 -57400.1 61.202 0.0 8.960402 0.181647 -0.136806 -0.503449 1800.00 CuCl,gas CuCl CuCl,gas Cl(1)Cu(1) JA98 13.Aug.24 15178.3 21770.1 56.694 0.0 9.147986 0.068977 -0.360080 -5.826964 1800.00 DCl,gas DCl DCl,gas Cl(1)D(1) JA98 13.Aug.24 -22931.4 -22310.0 46.066 0.0 10.847733 0.053859 1.551333 -96.960457 1800.00 DOCl,gas DOCl DOCl,gas Cl(1)D(1)O(1) JA98 13.Aug.24 -15397.2 -18700.0 57.420 0.0 16.607563 -0.065710 0.717293 -141.171233 1800.00 ClF,gas ClF ClF,gas Cl(1)F(1) JA98 13.Aug.24 -12376.7 -12020.1 52.088 0.0 10.288554 -0.158765 -0.249683 -39.661537 1800.00 Li2ClF,gas Li2ClF Li2ClF,gas Cl(1)F(1)Li(2) JA98 13.Aug.24 -179981.6 -180200.0 64.063 0.0 23.528414 -0.716372 -1.807651 -108.389178 1800.00 MgClF,gas MgClF MgClF,gas Cl(1)F(1)Mg(1) JA98 13.Aug.24 -137495.7 -136043.0 63.573 0.0 15.383930 -0.301289 -0.817947 -42.372558 1800.00 SO2ClF,gas SO2ClF SO2ClF,gas Cl(1)F(1)O(2)S(1) JA98 13.Aug.24 -122504.3 -133000.0 72.383 0.0 36.212079 -1.911613 0.019117 -320.781238 1800.00 ClO3F,gas ClO3F ClO3F,gas Cl(1)F(1)O(3) JA98 13.Aug.24 12101.3 -5120.0 66.679 0.0 38.847402 -2.444653 0.310296 -396.921646 1800.00 POClF2,gas POClF2 POClF2,gas Cl(1)F(2)O(1)P(1) JA98 13.Aug.24 -220862.8 -232000.0 72.105 0.0 37.268736 -2.187886 -0.221687 -344.536818 1800.00 ClF3,gas ClF3 ClF3,gas Cl(1)F(3) JA98 13.Aug.24 -28412.3 -37969.9 67.304 0.0 23.234938 -0.688011 -1.949353 -96.664933 1800.00 SiClF3,gas SiClF3 SiClF3,gas Cl(1)F(3)Si(1) JA98 13.Aug.24 -306031.1 -315000.0 73.776 0.0 32.717981 -1.374986 -1.524437 -201.273415 1800.00 ClF5,gas ClF5 ClF5,gas Cl(1)F(5) JA98 13.Aug.24 -35068.1 -57000.0 74.268 0.0 37.533386 -1.177080 -3.966100 -164.623001 1800.00 SClF5,gas SClF5 SClF5,gas Cl(1)F(5)S(1) JA98 13.Aug.24 -224738.8 -248300.0 76.465 0.0 48.869682 -2.244703 -4.137513 -322.353989 1800.00 FeCl,gas FeCl FeCl,gas Cl(1)Fe(1) JA98 13.Aug.24 51540.6 60000.0 61.561 0.0 8.453985 0.302158 -0.876564 27.079364 1800.00 HCl,gas HCl HCl,gas Cl(1)H(1) JA98 13.Aug.24 -22777.2 -22063.1 44.670 0.0 7.294263 0.918312 0.647975 -22.651893 1800.00 HOCl,gas HOCl HOCl,gas Cl(1)H(1)O(1) JA98 13.Aug.24 -14739.5 -17800.0 56.526 0.0 14.847669 0.333663 0.531798 -114.597790 1800.00 SiH3Cl,gas SiH3Cl SiH3Cl,gas Cl(1)H(3)Si(1) JA98 13.Aug.24 -28511.5 -33900.1 59.933 0.0 39.410431 -1.579788 3.691304 -532.727365 1800.00 HgCl,gas HgCl HgCl,gas Cl(1)Hg(1) JA98 13.Aug.24 13588.2 18750.0 62.143 0.0 9.000894 0.181642 -0.227469 -1.641194 1800.00 ICl,gas ICl ICl,gas Cl(1)I(1) JA98 13.Aug.24 -1371.2 4184.0 59.170 0.0 9.098298 0.073738 -0.329101 -4.403861 1800.00 KCl,gas KCl KCl,gas Cl(1)K(1) JA98 13.Aug.24 -55790.6 -51310.0 57.143 0.0 8.992145 0.170219 -0.213100 -1.395871 1800.00 LiCl,gas LiCl LiCl,gas Cl(1)Li(1) JA98 13.Aug.24 -51929.7 -46778.0 50.889 0.0 9.787264 -0.036159 -0.383788 -24.247989 1800.00 LiOCl,gas LiOCl LiOCl,gas Cl(1)Li(1)O(1) JA98 13.Aug.24 -4342.0 -3400.1 61.285 0.0 18.441461 -0.874993 -0.066576 -135.621831 1800.00 MgCl,gas MgCl MgCl,gas Cl(1)Mg(1) JA98 13.Aug.24 -16756.5 -10400.1 55.787 0.0 9.244510 0.049785 -0.392192 -8.569633 1800.00 MgCl+,gas MgCl+ MgCl+,gas Cl(1)Mg(1)+ JA98 13.Aug.24 148494.7 156000.0 54.626 0.0 5.961655 1.247001 -1.285821 61.510529 1800.00 ONCl,gas ONCl ONCl,gas Cl(1)N(1)O(1) JA98 13.Aug.24 15797.3 12359.9 62.543 0.0 17.628653 -0.271737 0.939396 -137.160074 1800.00 NO2Cl,gas NO2Cl NO2Cl,gas Cl(1)N(1)O(2) JA98 13.Aug.24 12897.9 2900.1 65.054 0.0 29.354238 -1.636357 1.359346 -305.510268 1800.00 NaCl,gas NaCl NaCl,gas Cl(1)Na(1) JA98 13.Aug.24 -48120.0 -43359.9 54.922 0.0 9.073386 0.138168 -0.309664 -3.699370 1800.00 NiCl,gas NiCl NiCl,gas Cl(1)Ni(1) JA98 13.Aug.24 35627.9 43500.0 60.201 0.0 11.481766 -0.305680 -0.148342 -47.882963 1800.00 ClO,gas ClO ClO,gas Cl(1)O(1) JA98 13.Aug.24 23298.8 24191.9 54.170 0.0 10.767936 -0.252749 -0.054523 -53.530516 1800.00 OTiCl,gas OTiCl OTiCl,gas Cl(1)O(1)Ti(1) JA98 13.Aug.24 -59718.9 -58380.0 63.016 0.0 17.240520 -0.468237 -0.729116 -68.152628 1800.00 ClO2,gas ClO2 ClO2,gas Cl(1)O(2) JA98 13.Aug.24 29236.9 25000.0 61.479 0.0 19.029920 -0.791254 0.223118 -155.755200 1800.00 PCl,gas PCl PCl,gas Cl(1)P(1) JA98 13.Aug.24 24756.0 30831.7 56.854 0.0 9.265609 0.028043 -0.397510 -9.176322 1800.00 PbCl,gas PbCl PbCl,gas Cl(1)Pb(1) JA98 13.Aug.24 -2335.1 3599.9 62.049 0.0 8.296484 0.364719 -0.449506 13.047071 1800.00 PbCl+,gas PbCl+ PbCl+,gas Cl(1)Pb(1)+ JA98 13.Aug.24 171088.2 178200.0 60.982 0.0 8.994188 0.115143 -0.218884 -1.456628 1800.00 SCl,gas SCl SCl,gas Cl(1)S(1) JA98 13.Aug.24 30717.0 37396.0 56.722 0.0 8.069626 0.257369 -0.591962 25.819754 1800.00 SCl+,gas SCl+ SCl+,gas Cl(1)S(1)+ JA98 13.Aug.24 245708.2 253832.9 56.557 0.0 8.587489 0.314102 -0.667917 3.068057 1800.00 S2Cl,gas S2Cl S2Cl,gas Cl(1)S(2) JA98 13.Aug.24 10507.4 18776.1 69.715 0.0 14.852086 -0.195326 -0.951184 -26.800078 1800.00 SiCl,gas SiCl SiCl,gas Cl(1)Si(1) JA98 13.Aug.24 39741.4 47400.1 56.843 0.0 9.215168 0.038292 -0.195357 -7.879208 1800.00 SrCl,gas SrCl SrCl,gas Cl(1)Sr(1) JA98 13.Aug.24 -35660.6 -29599.9 60.297 0.0 8.979414 0.119341 -0.248783 -1.233234 1800.00 TiCl,gas TiCl TiCl,gas Cl(1)Ti(1) JA98 13.Aug.24 29281.3 36900.1 59.564 0.0 12.228515 -0.393968 -0.721922 -41.633303 1800.00 WCl,gas WCl WCl,gas Cl(1)W(1) JA98 13.Aug.24 123913.0 132300.0 62.594 0.0 8.054979 0.537300 -0.658633 14.647974 1800.00 ZrCl,gas ZrCl ZrCl,gas Cl(1)Zr(1) JA98 13.Aug.24 41696.0 49099.9 60.781 0.0 9.692949 0.746398 0.282962 -31.890772 1800.00 CoCl2,gas CoCl2 CoCl2,gas Cl(2)Co(1) JA98 13.Aug.24 -25631.9 -22400.1 71.343 0.0 17.531961 -0.238717 0.622721 -67.222002 1800.00 (CsCl)2,gas (CsCl)2 (CsCl)2,gas Cl(2)Cs(2) JA98 13.Aug.24 -156992.4 -157700.0 91.646 0.0 19.888521 -0.003520 -0.314387 -0.467104 1800.00 POCl2F,gas POCl2F POCl2F,gas Cl(2)F(1)O(1)P(1) JA98 13.Aug.24 -172471.8 -183000.0 76.573 0.0 33.035370 -1.367358 -0.941504 -218.159276 1800.00 FeCl2,gas FeCl2 FeCl2,gas Cl(2)Fe(1) JA98 13.Aug.24 -37183.3 -33700.0 71.530 0.0 12.743725 1.144054 -1.284858 36.483443 1800.00 SiH2Cl2,gas SiH2Cl2 SiH2Cl2,gas Cl(2)H(2)Si(1) JA98 13.Aug.24 -70482.8 -76599.9 68.531 0.0 35.732291 -1.223173 1.365714 -380.464451 1800.00 HgCl2,gas HgCl2 HgCl2,gas Cl(2)Hg(1) JA98 13.Aug.24 -34657.5 -34965.1 70.457 0.0 15.235004 -0.069382 -0.699101 -9.355067 1800.00 (KCl)2,gas (KCl)2 (KCl)2,gas Cl(2)K(2) JA98 13.Aug.24 -147651.5 -147620.0 84.337 0.0 19.913358 -0.008771 -0.459131 -1.163698 1800.00 (LiCl)2,gas (LiCl)2 (LiCl)2,gas Cl(2)Li(2) JA98 13.Aug.24 -143591.8 -143055.9 69.017 0.0 20.697877 -0.172977 -1.818519 -23.344495 1800.00 MgCl2,gas MgCl2 MgCl2,gas Cl(2)Mg(1) JA98 13.Aug.24 -95316.2 -93800.0 66.211 0.0 15.615747 -0.147033 -0.669734 -20.319270 1800.00 MoO2Cl2,gas MoO2Cl2 MoO2Cl2,gas Cl(2)Mo(1)O(2) JA98 13.Aug.24 -142816.9 -151300.0 80.733 0.0 31.362934 -1.088100 -1.096968 -163.347810 1800.00 (NaCl)2,gas (NaCl)2 (NaCl)2,gas Cl(2)Na(2) JA98 13.Aug.24 -135260.3 -135300.0 77.780 0.0 20.003005 -0.027654 -0.846339 -3.685702 1800.00 NiCl2,gas NiCl2 NiCl2,gas Cl(2)Ni(1) JA98 13.Aug.24 -20611.9 -17669.9 70.323 0.0 18.294489 -0.476692 -0.360393 -66.737316 1800.00 Cl2O,gas Cl2O Cl2O,gas Cl(2)O(1) JA98 13.Aug.24 25111.1 21000.0 64.044 0.0 15.858594 -0.399124 -0.964417 -55.943086 1800.00 TiOCl2,gas TiOCl2 TiOCl2,gas Cl(2)O(1)Ti(1) JA98 13.Aug.24 -127866.6 -130390.1 76.721 0.0 22.009565 -0.430288 -0.974226 -62.157388 1800.00 SO2Cl2,gas SO2Cl2 SO2Cl2,gas Cl(2)O(2)S(1) JA98 13.Aug.24 -74169.0 -84800.0 74.353 0.0 34.426467 -1.569435 -0.078981 -266.974972 1800.00 WO2Cl2,gas WO2Cl2 WO2Cl2,gas Cl(2)O(2)W(1) JA98 13.Aug.24 -152878.1 -160500.0 84.591 0.0 31.081734 -1.031252 -0.860628 -155.180864 1800.00 PbCl2,gas PbCl2 PbCl2,gas Cl(2)Pb(1) JA98 13.Aug.24 -43690.7 -41599.9 75.814 0.0 14.070052 -0.033518 -0.543202 -4.504802 1800.00 PbCl2+,gas PbCl2+ PbCl2+,gas Cl(2)Pb(1)+ JA98 13.Aug.24 191417.3 195099.9 76.139 0.0 14.087808 -0.037215 -0.570141 -5.007664 1800.00 SCl2,gas SCl2 SCl2,gas Cl(2)S(1) JA98 13.Aug.24 -6088.0 -4200.0 67.311 0.0 14.856446 -0.196357 -0.961543 -26.914517 1800.00 SCl2+,gas SCl2+ SCl2+,gas Cl(2)S(1)+ JA98 13.Aug.24 211671.4 215460.1 68.672 0.0 14.875153 -0.200127 -0.956753 -27.455820 1800.00 ClSSCl,gas ClSSCl ClSSCl,gas Cl(2)S(2) JA98 13.Aug.24 -6852.1 -4000.0 78.206 0.0 24.220767 -1.016272 -0.607028 -100.815888 1500.00 SiCl2,gas SiCl2 SiCl2,gas Cl(2)Si(1) JA98 13.Aug.24 -43110.2 -40300.0 67.240 0.0 14.755838 -0.175762 -0.950663 -24.026554 1800.00 SrCl2,gas SrCl2 SrCl2,gas Cl(2)Sr(1) JA98 13.Aug.24 -115777.0 -113099.9 75.607 0.0 14.018002 -0.022691 -0.449907 -3.029007 1800.00 TiCl2,gas TiCl2 TiCl2,gas Cl(2)Ti(1) JA98 13.Aug.24 -58445.7 -56700.0 66.524 0.0 12.638004 0.917565 -1.553113 44.250063 1800.00 WCl2,gas WCl2 WCl2,gas Cl(2)W(1) JA98 13.Aug.24 -6825.0 -3000.0 73.952 0.0 10.301693 1.946044 -1.974306 89.668627 1800.00 ZrCl2,gas ZrCl2 ZrCl2,gas Cl(2)Zr(1) JA98 13.Aug.24 -46681.2 -44500.0 69.923 0.0 12.720662 0.900361 -1.464870 41.901494 1800.00 CoCl3,gas CoCl3 CoCl3,gas Cl(3)Co(1) JA98 13.Aug.24 -36928.3 -39099.9 79.878 0.0 17.341140 0.595437 -3.555208 80.880748 1800.00 (CuCl)3,gas (CuCl)3 (CuCl)3,gas Cl(3)Cu(3) JA98 13.Aug.24 -61473.2 -61800.0 102.659 0.0 32.200285 -0.085038 -1.549644 -11.430317 1800.00 SiCl3F,gas SiCl3F SiCl3F,gas Cl(3)F(1)Si(1) JA98 13.Aug.24 -192535.9 -201000.0 80.319 0.0 28.984001 -0.632571 -1.748347 -91.778420 1800.00 FeCl3,gas FeCl3 FeCl3,gas Cl(3)Fe(1) JA98 13.Aug.24 -59236.4 -60500.0 82.267 0.0 20.141288 -0.056609 -0.991688 -7.592978 1800.00 SiHCl3,gas SiHCl3 SiHCl3,gas Cl(3)H(1)Si(1) JA98 13.Aug.24 -111113.5 -118599.9 74.980 0.0 32.103134 -0.879715 -0.498770 -228.797821 1800.00 (LiCl)3,gas (LiCl)3 (LiCl)3,gas Cl(3)Li(3) JA98 13.Aug.24 -233996.7 -240134.1 80.245 0.0 37.245076 -1.118121 -3.122414 -156.329536 1800.00 OPCl3,gas OPCl3 OPCl3,gas Cl(3)O(1)P(1) JA98 13.Aug.24 -122910.4 -133800.0 77.785 0.0 31.069277 -0.989484 -1.139048 -159.094009 1800.00 PCl3,gas PCl3 PCl3,gas Cl(3)P(1) JA98 13.Aug.24 -64438.3 -69000.0 74.494 0.0 21.171020 -0.270029 -1.647782 -36.913956 1800.00 SPCl3,gas SPCl3 SPCl3,gas Cl(3)P(1)S(1) JA98 13.Aug.24 -85983.0 -91000.0 80.628 0.0 28.506595 -0.548608 -2.174526 -76.663276 1800.00 SiCl3,gas SiCl3 SiCl3,gas Cl(3)Si(1) JA98 13.Aug.24 -90788.2 -93300.0 76.049 0.0 21.519285 -0.340984 -1.603379 -46.958699 1800.00 TiCl3,gas TiCl3 TiCl3,gas Cl(3)Ti(1) JA98 13.Aug.24 -125445.0 -128900.1 75.740 0.0 21.396894 -0.324356 -2.891304 -12.540427 1800.00 ZrCl3,gas ZrCl3 ZrCl3,gas Cl(3)Zr(1) JA98 13.Aug.24 -122866.6 -125300.0 81.104 0.0 26.048958 -1.056352 0.393459 -138.170729 1800.00 (CoCl2)2,gas (CoCl2)2 (CoCl2)2,gas Cl(4)Co(2) JA98 13.Aug.24 -79817.2 -83800.0 107.648 0.0 34.375787 -0.229353 -0.017550 -65.830730 1800.00 (FeCl2)2,gas (FeCl2)2 (FeCl2)2,gas Cl(4)Fe(2) JA98 13.Aug.24 -100513.4 -103099.9 111.019 0.0 29.573968 1.156404 -1.827624 38.247193 1800.00 (MgCl2)2,gas (MgCl2)2 (MgCl2)2,gas Cl(4)Mg(2) JA98 13.Aug.24 -221503.6 -228099.9 100.127 0.0 32.484242 -0.143843 -1.575195 -19.524667 1800.00 MoCl4,gas MoCl4 MoCl4,gas Cl(4)Mo(1) JA98 13.Aug.24 -84673.0 -92000.0 88.896 0.0 26.337771 -0.066443 -1.724817 -16.176559 1800.00 OWCl4,gas OWCl4 OWCl4,gas Cl(4)O(1)W(1) JA98 13.Aug.24 -122508.8 -137068.1 90.124 0.0 37.806873 -1.183526 -1.626633 -177.548273 1800.00 PbCl4,gas PbCl4 PbCl4,gas Cl(4)Pb(1) JA98 13.Aug.24 -122814.8 -132027.5 91.219 0.0 26.277293 -0.093144 -1.332679 -12.520782 1800.00 SiCl4,gas SiCl4 SiCl4,gas Cl(4)Si(1) JA98 13.Aug.24 -148848.9 -158400.1 79.098 0.0 28.448952 -0.539009 -2.135043 -74.778129 1800.00 TiCl4,gas TiCl4 TiCl4,gas Cl(4)Ti(1) JA98 13.Aug.24 -173704.3 -182400.1 84.821 0.0 27.176345 -0.279481 -1.815866 -38.121071 1800.00 WCl4,gas WCl4 WCl4,gas Cl(4)W(1) JA98 13.Aug.24 -73207.5 -80300.0 90.651 0.0 26.222432 -0.042210 -1.635201 -12.915334 1800.00 ZrCl4,gas ZrCl4 ZrCl4,gas Cl(4)Zr(1) JA98 13.Aug.24 -199570.5 -207930.0 87.886 0.0 26.629617 -0.166714 -1.603622 -22.507371 1800.00 MoCl5,gas MoCl5 MoCl5,gas Cl(5)Mo(1) JA98 13.Aug.24 -93565.5 -107000.0 95.070 0.0 31.490081 0.289451 -2.620170 -1.500175 1800.00 NbCl5,gas NbCl5 NbCl5,gas Cl(5)Nb(1) JA98 13.Aug.24 -154557.1 -168099.9 96.585 0.0 33.031371 -0.257956 -2.207422 -35.036213 1800.00 PCl5,gas PCl5 PCl5,gas Cl(5)P(1) JA98 13.Aug.24 -69376.4 -86086.0 87.067 0.0 34.099017 -0.478293 -3.053312 -65.535607 1800.00 TaCl5,gas TaCl5 TaCl5,gas Cl(5)Ta(1) JA98 13.Aug.24 -169531.8 -182800.0 98.703 0.0 32.832827 -0.216983 -2.099535 -29.364178 1800.00 WCl5,gas WCl5 WCl5,gas Cl(5)W(1) JA98 13.Aug.24 -85441.0 -98599.9 96.963 0.0 31.407182 0.306657 -2.511874 0.858023 1800.00 (FeCl3)2,gas (FeCl3)2 (FeCl3)2,gas Cl(6)Fe(2) JA98 13.Aug.24 -143078.6 -156400.1 128.331 0.0 44.083189 -0.076735 -1.743454 -10.282027 1800.00 MoCl6,gas MoCl6 MoCl6,gas Cl(6)Mo(1) JA98 13.Aug.24 -85176.4 -105000.0 100.300 0.0 38.580406 -0.172862 -2.437585 -23.247480 1800.00 WCl6,gas WCl6 WCl6,gas Cl(6)W(1) JA98 13.Aug.24 -97852.8 -118000.0 100.183 0.0 38.564931 -0.169653 -2.486457 -22.808671 1800.00 (WCl5)2,gas (WCl5)2 (WCl5)2,gas Cl(10)W(2) JA98 13.Aug.24 -174312.1 -207599.9 170.550 0.0 69.034476 -0.307007 -3.175937 -41.630826 1800.00 ClO,gas ClO ClO,gas Cl(1)O(1) JA98 13.Aug.24 23509.3 24290.2 53.793 0.0 9.832602 -0.047002 0.012006 -27.551421 1800.00 OClO,gas OClO OClO,gas Cl(1)O(2) JA98 13.Aug.24 27448.1 23183.6 61.386 0.0 19.317923 -1.044779 0.327720 -161.743126 1800.00 ClOO,gas ClOO ClOO,gas Cl(1)O(2) JA98 13.Aug.24 26806.4 23431.4 64.370 0.0 17.808292 -0.667356 0.627353 -125.940385 1800.00 ClO3,gas ClO3 ClO3,gas Cl(1)O(3) JA98 13.Aug.24 57027.7 46444.8 64.710 0.0 28.769906 -1.732616 -0.184961 -264.774528 1800.00 ClOCl,gas ClOCl ClOCl,gas Cl(2)O(1) JA98 13.Aug.24 23202.7 19359.5 64.943 0.0 15.816117 -0.390545 -0.971629 -54.698823 1800.00 ClClO,gas ClClO ClClO,gas Cl(2)O(1) JA98 13.Aug.24 24848.7 21510.5 66.636 0.0 16.385498 -0.486938 -0.305025 -73.115864 1800.00 ClOOCl,gas ClOOCl ClOOCl,gas Cl(2)O(2) JA98 13.Aug.24 40855.2 31787.8 71.937 0.0 23.361269 -0.712852 -1.681867 -100.381681 1800.00 ClOClO,gas ClOClO ClOClO,gas Cl(2)O(2) JA98 13.Aug.24 50636.7 42152.5 73.892 0.0 23.327820 -0.689934 -1.043084 -101.063025 1800.00 ClClO2,gas ClClO2 ClClO2,gas Cl(2)O(2) JA98 13.Aug.24 42172.1 32636.2 70.365 0.0 26.691966 -1.282136 0.192232 -207.829224 1800.00 Co,gas Co Co,gas Co(1) JA98 13.Aug.24 91328.2 101978.0 42.906 0.0 6.314578 0.043090 -0.792476 0.907543 1800.00 Co+,gas Co+ Co+,gas Co(1)+ JA98 13.Aug.24 272737.3 284798.5 42.626 0.0 -7.403908 5.231490 -4.625757 280.723215 1800.00 Co-,gas Co- Co-,gas Co(1)- JA98 13.Aug.24 76165.2 85241.2 42.641 0.0 6.534906 -0.681386 -0.951156 1.237684 1800.00 CoF2,gas CoF2 CoF2,gas Co(1)F(2) JA98 13.Aug.24 -88419.9 -85200.0 66.454 0.0 14.471977 0.277120 -0.637836 -27.669340 1800.00 Cr,gas Cr Cr,gas Cr(1) JA98 13.Aug.24 84261.7 95000.0 41.661 0.0 1.489043 1.280844 -1.004992 72.632420 1800.00 Cr+,gas Cr+ Cr+,gas Cr(1)+ JA98 13.Aug.24 240362.8 252504.8 41.355 0.0 4.631077 0.116373 -0.104205 7.197627 1800.00 Cr-,gas Cr- Cr-,gas Cr(1)- JA98 13.Aug.24 69008.6 78160.6 41.355 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 CrN,gas CrN CrN,gas Cr(1)N(1) JA98 13.Aug.24 112781.1 120700.0 55.103 0.0 11.370455 -0.409296 0.262038 -72.556485 1800.00 CrO,gas CrO CrO,gas Cr(1)O(1) JA98 13.Aug.24 36942.4 45000.0 57.186 0.0 10.922904 -0.302182 0.018400 -58.305930 1800.00 CrO2,gas CrO2 CrO2,gas Cr(1)O(2) JA98 13.Aug.24 -20884.3 -18000.0 64.350 0.0 18.943222 -0.978200 0.340289 -149.920464 1800.00 CrO3,gas CrO3 CrO3,gas Cr(1)O(3) JA98 13.Aug.24 -65356.6 -70000.0 63.618 0.0 27.283651 -1.466130 -0.760869 -218.143769 1800.00 Cs,gas Cs Cs,gas Cs(1) JA98 13.Aug.24 11838.4 18283.9 41.969 0.0 4.584269 0.133586 -0.118354 8.185385 1800.00 Cs+,gas Cs+ Cs+,gas Cs(1)+ JA98 13.Aug.24 102030.8 109560.7 40.592 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Cs-,gas Cs- Cs-,gas Cs(1)- JA98 13.Aug.24 1386.7 5926.9 40.592 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 CsF,gas CsF CsF,gas Cs(1)F(1) JA98 13.Aug.24 -89238.3 -85200.0 58.129 0.0 9.058234 0.111090 -0.299584 -3.277963 1800.00 CsOH,gas CsOH CsOH,gas Cs(1)H(1)O(1) JA98 13.Aug.24 -62122.4 -62000.0 60.893 0.0 11.579346 1.129026 -0.838284 15.863993 1800.00 CsOH+,gas CsOH+ CsOH+,gas Cs(1)H(1)O(1)+ JA98 13.Aug.24 102883.8 105492.1 64.217 0.0 11.519092 1.143172 -0.715672 17.635888 1800.00 CsO,gas CsO CsO,gas Cs(1)O(1) JA98 13.Aug.24 10167.1 15000.0 61.076 0.0 8.991983 0.166918 -0.215204 -1.397385 1800.00 Cs2,gas Cs2 Cs2,gas Cs(2) JA98 13.Aug.24 17510.3 25661.1 68.039 0.0 7.015217 -1.833781 -2.738620 98.369058 1800.00 (CsF)2,gas (CsF)2 (CsF)2,gas Cs(2)F(2) JA98 13.Aug.24 -211260.3 -212740.0 84.206 0.0 19.949014 -0.016331 -0.645213 -2.162754 1800.00 (CsOH)2,gas (CsOH)2 (CsOH)2,gas Cs(2)H(2)O(2) JA98 13.Aug.24 -154040.9 -164400.1 86.221 0.0 37.703545 -0.030022 2.749899 -362.635588 1800.00 Cs2O,gas Cs2O Cs2O,gas Cs(2)O(1) JA98 13.Aug.24 -25222.3 -22000.0 76.025 0.0 14.034255 -0.026053 -0.522082 -3.489144 1800.00 Cs2SO4,gas Cs2SO4 Cs2SO4,gas Cs(2)O(4)S(1) JA98 13.Aug.24 -253609.0 -268300.0 97.152 0.0 51.795420 -2.724148 -0.423424 -418.767216 1800.00 Cu,gas Cu Cu,gas Cu(1) JA98 13.Aug.24 71194.3 80688.3 39.770 0.0 4.503998 0.161378 -0.142466 9.888055 1800.00 Cu+,gas Cu+ Cu+,gas Cu(1)+ JA98 13.Aug.24 245370.0 260343.5 53.134 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Cu-,gas Cu- Cu-,gas Cu(1)- JA98 13.Aug.24 43300.4 50889.1 38.392 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 CuF,gas CuF CuF,gas Cu(1)F(1) JA98 13.Aug.24 -9551.4 -3000.0 54.134 0.0 9.714023 -0.041093 -0.396650 -22.148292 1800.00 CuF2,gas CuF2 CuF2,gas Cu(1)F(2) JA98 13.Aug.24 -66018.6 -63800.0 63.835 0.0 15.209066 -0.113040 -0.991184 -45.076528 1800.00 CuO,gas CuO CuO,gas Cu(1)O(1) JA98 13.Aug.24 66153.9 73200.0 56.075 0.0 9.275197 0.063734 -0.181413 -9.690378 1800.00 Cu2,gas Cu2 Cu2,gas Cu(2) JA98 13.Aug.24 103501.7 116000.0 57.773 0.0 8.983111 0.164924 -0.197549 -1.146148 1800.00 D,gas D D,gas D(1) JA98 13.Aug.24 49367.4 52992.4 29.481 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 D+,gas D+ D+,gas D(1)+ JA98 13.Aug.24 363437.4 368146.3 28.103 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 D-,gas D- D-,gas D(1)- JA98 13.Aug.24 32399.4 34118.8 28.105 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 DF,gas DF DF,gas D(1)F(1) JA98 13.Aug.24 -66265.3 -65849.9 42.950 0.0 7.234308 0.924883 0.625850 -21.222629 1800.00 HD,gas HD HD,gas D(1)H(1) JA98 13.Aug.24 -349.7 76.5 34.370 0.0 5.139966 1.377281 -0.096972 26.657944 1800.00 HD+,gas HD+ HD+,gas D(1)H(1)+ JA98 13.Aug.24 354983.5 357742.1 37.178 0.0 11.269766 0.193566 1.617612 -105.800491 1800.00 HD-,gas HD- HD-,gas D(1)H(1)- JA98 13.Aug.24 56822.9 56282.0 36.139 0.0 12.489483 -0.294419 1.299269 -116.494446 1800.00 HDO,gas HDO HDO,gas D(1)H(1)O(1) JA98 13.Aug.24 -55731.6 -58645.1 47.684 0.0 12.794922 1.405160 2.040424 -128.032057 1800.00 ND,gas ND ND,gas D(1)N(1) JA98 13.Aug.24 88349.7 89700.0 44.750 0.0 9.735984 0.377167 1.336019 -75.244180 1800.00 OD,gas OD OD,gas D(1)O(1) JA98 13.Aug.24 7707.7 8748.1 45.328 0.0 8.303695 0.700052 1.121456 -44.582445 1800.00 SD,gas SD SD,gas D(1)S(1) JA98 13.Aug.24 26191.4 33099.9 48.156 0.0 10.485111 0.067090 1.566576 -77.213578 1800.00 D2+,gas D2+ D2+,gas D(2)+ JA98 13.Aug.24 355832.0 358166.1 37.461 0.0 12.065491 -0.083648 1.443356 -114.124879 1800.00 D2-,gas D2- D2-,gas D(2)- JA98 13.Aug.24 56800.9 56253.6 37.825 0.0 12.078458 -0.284106 0.749943 -96.669979 1800.00 ND2,gas ND2 ND2,gas D(2)N(1) JA98 13.Aug.24 46899.1 44300.0 48.827 0.0 18.524765 -0.023254 3.250293 -240.460465 1800.00 DNND,gas DNND DNND,gas D(2)N(2) JA98 13.Aug.24 57515.1 49500.0 53.559 0.0 32.159642 -1.446303 4.852403 -480.573076 1800.00 D2O,gas D2O D2O,gas D(2)O(1) JA98 13.Aug.24 -56055.4 -59560.9 47.404 0.0 15.492756 0.840849 2.648058 -181.475377 1800.00 D2S,gas D2S D2S,gas D(2)S(1) JA98 13.Aug.24 -8436.9 -5710.1 51.454 0.0 20.735537 -0.616144 3.252487 -270.210425 1800.00 ND3,gas ND3 ND3,gas D(3)N(1) JA98 13.Aug.24 -6210.3 -14000.0 48.741 0.0 28.561717 -0.198374 4.765355 -426.482066 1800.00 F,gas F F,gas F(1) JA98 13.Aug.24 14887.4 18974.7 37.942 0.0 4.105137 0.161747 -0.220641 26.487518 1800.00 F+,gas F+ F+,gas F(1)+ JA98 13.Aug.24 416487.3 422281.5 38.654 0.0 3.942611 0.199845 -0.136153 30.583997 1800.00 F-,gas F- F-,gas F(1)- JA98 13.Aug.24 -62618.8 -60965.3 34.793 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 FeF,gas FeF FeF,gas F(1)Fe(1) JA98 13.Aug.24 3446.0 11400.1 57.442 0.0 9.746695 -0.085995 -0.390962 -23.070214 1800.00 HF,gas HF HF,gas F(1)H(1) JA98 13.Aug.24 -65642.0 -65140.1 41.534 0.0 4.655074 1.350489 -0.337190 39.524223 1800.00 (HF)2,gas (HF)2 (HF)2,gas F(2)H(2) JA98 13.Aug.24 -130127.4 -136870.0 57.086 0.0 20.315186 0.898970 0.790812 -185.649168 1800.00 H3F3,gas H3F3 H3F3,gas F(3)H(3) JA98 13.Aug.24 -195021.0 -210109.9 68.943 0.0 34.052583 1.068460 0.335058 -286.665392 1800.00 H4F4,gas H4F4 H4F4,gas F(4)H(4) JA98 13.Aug.24 -260298.8 -282940.0 83.463 0.0 46.728764 1.424421 0.427780 -382.232469 1800.00 H5F5,gas H5F5 H5F5,gas F(5)H(5) JA98 13.Aug.24 -325748.3 -356050.0 97.620 0.0 59.403411 1.780905 0.520006 -477.766940 1800.00 H6F6,gas H6F6 H6F6,gas F(6)H(6) JA98 13.Aug.24 -393988.3 -432039.9 111.477 0.0 72.077594 2.137441 0.611868 -573.287812 1800.00 H7F7,gas H7F7 H7F7,gas F(7)H(7) JA98 13.Aug.24 -456649.6 -502520.1 125.103 0.0 84.752828 2.493736 0.704216 -668.834002 1800.00 HOF,gas HOF HOF,gas F(1)H(1)O(1) JA98 13.Aug.24 -20468.9 -23500.0 54.200 0.0 15.875250 0.169537 1.113265 -148.353362 1800.00 HSO3F,gas HSO3F HSO3F,gas F(1)H(1)O(3)S(1) JA98 13.Aug.24 -165089.4 -180000.0 71.049 0.0 43.502883 -1.657346 0.717193 -446.550209 1800.00 SiH3F,gas SiH3F SiH3F,gas F(1)H(3)Si(1) JA98 13.Aug.24 -84453.6 -90000.0 56.979 0.0 41.613569 -2.005869 4.399859 -598.568018 1800.00 HgF,gas HgF HgF,gas F(1)Hg(1) JA98 13.Aug.24 -4355.9 700.0 59.363 0.0 9.308911 0.098286 -0.404812 -10.424098 1800.00 IF,gas IF IF,gas F(1)I(1) JA98 13.Aug.24 -28122.8 -22647.9 56.476 0.0 9.679851 0.049456 -0.404790 -21.112700 1800.00 KF,gas KF KF,gas F(1)K(1) JA98 13.Aug.24 -82414.4 -78099.9 54.162 0.0 9.170146 0.116402 -0.367391 -6.450780 1800.00 LiF,gas LiF LiF,gas F(1)Li(1) JA98 13.Aug.24 -86423.8 -81450.0 47.868 0.0 10.995330 -0.268900 0.052252 -60.522831 1800.00 LiOF,gas LiOF LiOF,gas F(1)Li(1)O(1) JA98 13.Aug.24 -22924.2 -22000.0 58.801 0.0 18.096559 -0.833611 -0.427326 -122.640534 1800.00 MgF,gas MgF MgF,gas F(1)Mg(1) JA98 13.Aug.24 -62800.9 -56599.9 52.841 0.0 10.106178 -0.125751 -0.305499 -33.628043 1800.00 MgF+,gas MgF+ MgF+,gas F(1)Mg(1)+ JA98 13.Aug.24 115154.2 122440.0 51.465 0.0 44.597171 -7.970607 11.201350 -809.101801 1800.00 MoF,gas MoF MoF,gas F(1)Mo(1) JA98 13.Aug.24 59305.4 67599.9 58.891 0.0 9.702375 -0.036445 -0.429275 -24.329716 1800.00 NF,gas NF NF,gas F(1)N(1) JA98 13.Aug.24 58211.8 59500.0 51.452 0.0 11.822005 -0.439797 0.545954 -87.378689 1800.00 ONF,gas ONF ONF,gas F(1)N(1)O(1) JA98 13.Aug.24 -12016.5 -15700.0 59.293 0.0 18.656187 -0.700473 0.980861 -166.862363 1800.00 NO2F,gas NO2F NO2F,gas F(1)N(1)O(2) JA98 13.Aug.24 -15874.3 -26000.0 62.201 0.0 30.197038 -1.762292 1.467201 -335.241055 1800.00 FONO2,gas FONO2 FONO2,gas F(1)N(1)O(3) JA98 13.Aug.24 17606.1 2500.0 70.013 0.0 39.265521 -2.410722 1.322630 -422.571052 1800.00 NaF,gas NaF NaF,gas F(1)Na(1) JA98 13.Aug.24 -74034.7 -69419.9 52.010 0.0 9.431159 0.062131 -0.416508 -13.932419 1800.00 OF,gas OF OF,gas F(1)O(1) JA98 13.Aug.24 25093.0 26000.0 51.792 0.0 11.584882 -0.360163 0.385563 -79.443148 1800.00 OTiF,gas OTiF OTiF,gas F(1)O(1)Ti(1) JA98 13.Aug.24 -104675.9 -103539.9 59.911 0.0 18.224394 -0.666440 -0.760259 -96.737499 1800.00 O2F,gas O2F O2F,gas F(1)O(2) JA98 13.Aug.24 6379.5 3000.0 61.930 0.0 18.262917 -0.743862 0.645710 -140.877314 1800.00 PF,gas PF PF,gas F(1)P(1) JA98 13.Aug.24 -18366.6 -12488.0 53.769 0.0 9.855988 0.045661 -0.323365 -33.871235 1800.00 PF+,gas PF+ PF+,gas F(1)P(1)+ JA98 13.Aug.24 208160.9 215468.0 53.546 0.0 10.821143 -0.292559 0.515510 -57.467740 1800.00 PF-,gas PF- PF-,gas F(1)P(1)- JA98 13.Aug.24 -43609.5 -39207.9 53.828 0.0 9.677401 -0.064463 -0.074444 -21.812609 1800.00 PSF,gas PSF PSF,gas F(1)P(1)S(1) JA98 13.Aug.24 -48526.3 -41173.0 66.376 0.0 17.565256 -0.728744 -0.487893 -106.980838 1800.00 PbF,gas PbF PbF,gas F(1)Pb(1) JA98 13.Aug.24 -25153.9 -19184.0 59.741 0.0 8.637909 0.276617 -0.619712 3.297609 1800.00 SF,gas SF SF,gas F(1)S(1) JA98 13.Aug.24 -3443.4 3099.9 53.842 0.0 9.264639 0.017239 -0.287974 -9.427979 1800.00 SF+,gas SF+ SF+,gas F(1)S(1)+ JA98 13.Aug.24 229022.5 237070.0 53.873 0.0 10.098211 -0.058238 -0.266563 -38.356090 1800.00 SF-,gas SF- SF-,gas F(1)S(1)- JA98 13.Aug.24 -49194.1 -44596.1 52.332 0.0 9.729359 -0.017764 -0.393872 -22.586818 1800.00 SiF,gas SiF SiF,gas F(1)Si(1) JA98 13.Aug.24 -12322.9 -4800.0 53.964 0.0 10.659077 -0.259918 0.115673 -50.353653 1800.00 SrF,gas SrF SrF,gas F(1)Sr(1) JA98 13.Aug.24 -76302.6 -70400.1 57.342 0.0 9.306529 0.031108 -0.415777 -10.505775 1800.00 SrF+,gas SrF+ SrF+,gas F(1)Sr(1)+ JA98 13.Aug.24 40206.5 47099.9 55.652 0.0 7.700980 0.611625 -0.963040 22.162408 1800.00 TiF,gas TiF TiF,gas F(1)Ti(1) JA98 13.Aug.24 -23493.3 -16000.0 56.718 0.0 12.732165 -0.538552 -0.805769 -56.093002 1800.00 WF,gas WF WF,gas F(1)W(1) JA98 13.Aug.24 83956.5 92300.0 60.024 0.0 14.512842 -1.540725 -0.549784 -92.175188 1800.00 ZrF,gas ZrF ZrF,gas F(1)Zr(1) JA98 13.Aug.24 12426.6 19800.0 58.254 0.0 10.240061 0.775202 0.262100 -47.648101 1800.00 FeF2,gas FeF2 FeF2,gas F(2)Fe(1) JA98 13.Aug.24 -95600.9 -93099.9 63.386 0.0 13.212890 0.314412 -4.221676 81.314580 1800.00 SiH2F2,gas SiH2F2 SiH2F2,gas F(2)H(2)Si(1) JA98 13.Aug.24 -182575.3 -189000.0 62.651 0.0 39.627331 -1.965880 2.481571 -498.424914 1800.00 HgF2,gas HgF2 HgF2,gas F(2)Hg(1) JA98 13.Aug.24 -69680.4 -70185.0 64.947 0.0 16.283720 -0.284436 -0.911145 -39.442568 1800.00 KF2-,gas KF2- KF2-,gas F(2)K(1)- JA98 13.Aug.24 -164106.6 -166000.0 62.588 0.0 15.415422 -0.106606 -0.817988 -14.507492 1800.00 (KF)2,gas (KF)2 (KF)2,gas F(2)K(2) JA98 13.Aug.24 -205332.5 -206200.0 76.471 0.0 20.022015 -0.031646 -0.890153 -4.221915 1800.00 LiF2-,gas LiF2- LiF2-,gas F(2)Li(1)- JA98 13.Aug.24 -168344.4 -170000.0 54.880 0.0 19.085554 -0.768772 0.015600 -129.322909 1800.00 (LiF)2,gas (LiF)2 (LiF)2,gas F(2)Li(2) JA98 13.Aug.24 -225164.0 -225330.1 61.813 0.0 23.026300 -0.650955 -2.263494 -90.102282 1800.00 MgF2,gas MgF2 MgF2,gas F(2)Mg(1) JA98 13.Aug.24 -175199.8 -173700.0 61.307 0.0 16.240823 -0.467316 -0.572673 -67.945379 1800.00 MgF2+,gas MgF2+ MgF2+,gas F(2)Mg(1)+ JA98 13.Aug.24 138375.5 141487.1 61.698 0.0 16.868939 -0.398149 -0.828869 -56.865294 1800.00 MoF2,gas MoF2 MoF2,gas F(2)Mo(1) JA98 13.Aug.24 -41788.7 -38900.1 64.993 0.0 14.868924 0.014861 -1.062185 -0.039129 1800.00 NF2,gas NF2 NF2,gas F(2)N(1) JA98 13.Aug.24 13566.4 10099.9 59.739 0.0 19.455558 -1.081686 0.168762 -164.798673 1800.00 FNNF,gas FNNF FNNF,gas F(2)N(2) JA98 13.Aug.24 25990.7 16400.1 62.096 0.0 30.079025 -1.898625 0.500505 -313.634072 1800.00 FNNF,gas FNNF FNNF,gas F(2)N(2) JA98 13.Aug.24 28787.8 19400.1 62.777 0.0 29.243619 -1.672820 1.019377 -295.778363 1800.00 NaF2-,gas NaF2- NaF2-,gas F(2)Na(1)- JA98 13.Aug.24 -158250.5 -160000.0 59.912 0.0 15.988552 -0.223220 -0.906140 -31.043154 1800.00 (NaF)2,gas (NaF)2 (NaF)2,gas F(2)Na(2) JA98 13.Aug.24 -200993.5 -202300.0 68.682 0.0 21.018863 -0.239493 -1.909483 -32.484956 1800.00 OF2,gas OF2 OF2,gas F(2)O(1) JA98 13.Aug.24 9986.4 5859.9 59.144 0.0 18.048700 -0.824310 -0.402932 -121.216860 1800.00 OSF2,gas OSF2 OSF2,gas F(2)O(1)S(1) JA98 13.Aug.24 -125846.6 -130000.0 66.714 0.0 27.022521 -1.359965 -0.410756 -216.361229 1800.00 OSiF2,gas OSiF2 OSiF2,gas F(2)O(1)Si(1) JA98 13.Aug.24 -227227.8 -231000.0 64.830 0.0 28.528637 -1.624098 0.064736 -264.372450 1800.00 OTiF2,gas OTiF2 OTiF2,gas F(2)O(1)Ti(1) JA98 13.Aug.24 -217384.1 -221050.0 68.040 0.0 23.992573 -0.833051 -1.639693 -119.451616 1800.00 SO2F2,gas SO2F2 SO2F2,gas F(2)O(2)S(1) JA98 13.Aug.24 -170157.3 -181300.0 67.788 0.0 38.356021 -2.315433 0.353557 -386.135262 1800.00 PF2,gas PF2 PF2,gas F(2)P(1) JA98 13.Aug.24 -118056.4 -116696.0 62.848 0.0 17.508738 -0.720496 -0.482491 -105.007846 1800.00 PF2+,gas PF2+ PF2+,gas F(2)P(1)+ JA98 13.Aug.24 110419.7 112876.0 61.510 0.0 17.584939 -0.734701 -0.444040 -107.338625 1800.00 PF2-,gas PF2- PF2-,gas F(2)P(1)- JA98 13.Aug.24 -152233.7 -152767.0 61.511 0.0 17.425932 -0.704935 -0.521276 -102.490249 1800.00 PbF2,gas PbF2 PbF2,gas F(2)Pb(1) JA98 13.Aug.24 -105789.9 -104000.0 69.955 0.0 14.892773 -0.203637 -0.925912 -27.971942 1800.00 SF2,gas SF2 SF2,gas F(2)S(1) JA98 13.Aug.24 -72528.9 -70900.1 61.592 0.0 17.352894 -0.691117 -0.554889 -100.277514 1800.00 SF2+,gas SF2+ SF2+,gas F(2)S(1)+ JA98 13.Aug.24 164336.3 167875.0 62.984 0.0 17.356481 -0.691583 -0.544810 -100.404414 1800.00 SF2-,gas SF2- SF2-,gas F(2)S(1)- JA98 13.Aug.24 -96054.0 -95226.1 63.921 0.0 14.984797 -0.222485 -1.034014 -30.615840 1800.00 FSSF,gas FSSF FSSF,gas F(2)S(2) JA98 13.Aug.24 -82346.8 -80409.9 70.287 0.0 22.963135 -0.632688 -1.658062 -88.823965 1800.00 SSF2,gas SSF2 SSF2,gas F(2)S(2) JA98 13.Aug.24 -97787.5 -95940.0 69.987 0.0 23.809829 -0.802349 -1.717242 -113.517679 1800.00 SiF2,gas SiF2 SiF2,gas F(2)Si(1) JA98 13.Aug.24 -142991.9 -140500.0 61.324 0.0 17.707223 -0.757493 -0.381062 -111.079283 1800.00 SrF2,gas SrF2 SrF2,gas F(2)Sr(1) JA98 13.Aug.24 -185468.0 -183099.9 69.722 0.0 14.430592 -0.108579 -0.785311 -14.738751 1800.00 TiF2,gas TiF2 TiF2,gas F(2)Ti(1) JA98 13.Aug.24 -166076.7 -164500.0 61.108 0.0 13.563002 0.727383 -1.949110 17.758572 1800.00 ZrF2,gas ZrF2 ZrF2,gas F(2)Zr(1) JA98 13.Aug.24 -136376.9 -133400.1 67.742 0.0 12.916311 0.657268 -1.737449 7.702435 1800.00 FeF3,gas FeF3 FeF3,gas F(3)Fe(1) JA98 13.Aug.24 -194256.9 -196200.0 72.714 0.0 23.734625 -0.781208 -1.221847 -111.933503 1800.00 SiHF3,gas SiHF3 SiHF3,gas F(3)H(1)Si(1) JA98 13.Aug.24 -279084.8 -287000.0 66.269 0.0 37.427010 -1.888970 0.814852 -390.748310 1800.00 (LiF)3,gas (LiF)3 (LiF)3,gas F(3)Li(3) JA98 13.Aug.24 -357392.9 -362620.0 76.025 0.0 36.966119 -1.058484 -3.182006 -148.576702 1800.00 MoF3,gas MoF3 MoF3,gas F(3)Mo(1) JA98 13.Aug.24 -142476.1 -145099.9 70.738 0.0 21.890413 0.304094 -1.533471 -72.914194 1800.00 NF3,gas NF3 NF3,gas F(3)N(1) JA98 13.Aug.24 -21649.6 -31570.0 62.326 0.0 28.170904 -1.642862 -0.731742 -244.151281 1800.00 NF3O,gas NF3O NF3O,gas F(3)N(1)O(1) JA98 13.Aug.24 -23032.7 -39000.0 66.561 0.0 36.211672 -1.888574 -0.617597 -323.969396 1800.00 POF3,gas POF3 POF3,gas F(3)O(1)P(1) JA98 13.Aug.24 -288198.9 -299772.9 68.215 0.0 37.387425 -2.184849 -0.001810 -350.908452 1800.00 PF3,gas PF3 PF3,gas F(3)P(1) JA98 13.Aug.24 -223928.3 -229072.9 65.264 0.0 26.082446 -1.241459 -1.072358 -181.459562 1800.00 PSF3,gas PSF3 PSF3,gas F(3)P(1)S(1) JA98 13.Aug.24 -235530.8 -241173.0 71.257 0.0 34.470184 -1.710383 -1.307595 -254.003629 1800.00 SF3,gas SF3 SF3,gas F(3)S(1) JA98 13.Aug.24 -116659.4 -120227.1 68.397 0.0 23.842975 -0.805421 -1.708449 -114.849523 1800.00 SF3+,gas SF3+ SF3+,gas F(3)S(1)+ JA98 13.Aug.24 97368.5 94070.0 64.286 0.0 27.108645 -1.436983 -0.865110 -212.434227 1800.00 SF3-,gas SF3- SF3-,gas F(3)S(1)- JA98 13.Aug.24 -180074.6 -185563.1 66.969 0.0 23.842975 -0.805421 -1.708449 -114.849523 1800.00 SiF3,gas SiF3 SiF3,gas F(3)Si(1) JA98 13.Aug.24 -256505.3 -259400.1 67.491 0.0 26.405906 -1.292208 -0.586916 -192.332373 1800.00 TiF3,gas TiF3 TiF3,gas F(3)Ti(1) JA98 13.Aug.24 -281000.0 -284099.9 69.656 0.0 24.045219 -0.853027 -2.613592 -89.974367 1800.00 ZrF3,gas ZrF3 ZrF3,gas F(3)Zr(1) JA98 13.Aug.24 -261541.1 -264200.0 73.074 0.0 28.103465 -1.476179 -0.031001 -197.265614 1800.00 (MgF2)2,gas (MgF2)2 (MgF2)2,gas F(4)Mg(2) JA98 13.Aug.24 -401158.0 -410700.0 80.548 0.0 35.200757 -0.701265 -3.269234 -97.438537 1800.00 MoF4,gas MoF4 MoF4,gas F(4)Mo(1) JA98 13.Aug.24 -219000.5 -226500.0 78.619 0.0 30.868342 -1.016011 -1.578956 -145.859730 1800.00 MoF4O,gas MoF4O MoF4O,gas F(4)Mo(1)O(1) JA98 13.Aug.24 -285310.5 -300000.0 79.019 0.0 39.628159 -1.571393 -2.538111 -228.336392 1800.00 N2F4,gas N2F4 N2F4,gas F(4)N(2) JA98 13.Aug.24 19092.5 -2000.0 71.986 0.0 46.844691 -2.975323 -1.279206 -443.139443 1800.00 WF4O,gas WF4O WF4O,gas F(4)O(1)W(1) JA98 13.Aug.24 -304772.9 -319460.1 79.996 0.0 39.987433 -1.642482 -2.484018 -238.913257 1800.00 PbF4,gas PbF4 PbF4,gas F(4)Pb(1) JA98 13.Aug.24 -261154.4 -270900.1 79.733 0.0 28.246559 -0.498882 -2.127793 -68.834047 1800.00 SF4,gas SF4 SF4,gas F(4)S(1) JA98 13.Aug.24 -172566.9 -182400.1 71.617 0.0 32.427973 -1.329586 -2.158948 -191.525403 1800.00 SF4+,gas SF4+ SF4+,gas F(4)S(1)+ JA98 13.Aug.24 106918.3 99436.9 74.491 0.0 31.408414 -1.130054 -2.263839 -161.298643 1800.00 SF4-,gas SF4- SF4-,gas F(4)S(1)- JA98 13.Aug.24 -201729.9 -212109.0 74.800 0.0 28.122284 -0.472929 -2.579817 -65.251989 1800.00 SiF4,gas SiF4 SiF4,gas F(4)Si(1) JA98 13.Aug.24 -375887.0 -385979.9 67.581 0.0 35.746057 -1.935512 -0.500672 -294.384723 1800.00 TiF4,gas TiF4 TiF4,gas F(4)Ti(1) JA98 13.Aug.24 -362148.4 -370800.0 75.270 0.0 30.916484 -1.031431 -1.573145 -146.945583 1800.00 ZrF4,gas ZrF4 ZrF4,gas F(4)Zr(1) JA98 13.Aug.24 -391097.5 -400000.0 76.366 0.0 29.578589 -0.767349 -2.007633 -107.525285 1800.00 IF5,gas IF5 IF5,gas F(5)I(1) JA98 13.Aug.24 -184423.0 -200840.1 79.986 0.0 36.502816 -0.967798 -3.419596 -134.843407 1800.00 MoF5,gas MoF5 MoF5,gas F(5)Mo(1) JA98 13.Aug.24 -283308.6 -296700.0 83.092 0.0 37.706796 -1.386433 -4.103277 -141.355551 1800.00 PF5,gas PF5 PF5,gas F(5)P(1) JA98 13.Aug.24 -363454.8 -381072.9 71.895 0.0 44.115179 -2.444321 -1.963094 -361.905359 1800.00 SF5,gas SF5 SF5,gas F(5)S(1) JA98 13.Aug.24 -200429.5 -217124.0 72.837 0.0 39.810691 -1.591593 -3.959859 -233.233874 1800.00 SF5+,gas SF5+ SF5+,gas F(5)S(1)+ JA98 13.Aug.24 56932.8 41262.9 71.260 0.0 39.542085 -1.515145 -4.046975 -226.479455 1800.00 SF5-,gas SF5- SF5-,gas F(5)S(1)- JA98 13.Aug.24 -285809.5 -303228.0 75.423 0.0 36.400715 -0.946468 -3.767207 -131.969664 1800.00 MoF6,gas MoF6 MoF6,gas F(6)Mo(1) JA98 13.Aug.24 -351891.0 -372289.9 83.822 0.0 45.024920 -1.480665 -3.328533 -209.538247 1800.00 SF6,gas SF6 SF6,gas F(6)S(1) JA98 13.Aug.24 -266838.2 -291700.0 69.679 0.0 51.584177 -2.779051 -3.860379 -402.522147 1800.00 SF6-,gas SF6- SF6-,gas F(6)S(1)- JA98 13.Aug.24 -295166.3 -320716.1 72.385 0.0 50.313929 -2.530728 -4.090369 -364.833016 1800.00 WF6,gas WF6 WF6,gas F(6)W(1) JA98 13.Aug.24 -390129.3 -411500.0 81.531 0.0 44.944506 -1.465728 -3.653108 -207.069831 1800.00 IF7,gas IF7 IF7,gas F(7)I(1) JA98 13.Aug.24 -199764.3 -229700.0 83.112 0.0 51.180116 -1.531126 -5.548132 -214.022814 1800.00 (MoF5)2,gas (MoF5)2 (MoF5)2,gas F(10)Mo(2) JA98 13.Aug.24 -606348.2 -644800.0 127.044 0.0 81.121996 -2.764884 -6.229106 -390.551970 1800.00 S2F10,gas S2F10 S2F10,gas F(10)S(2) JA98 13.Aug.24 -444864.0 -493400.1 94.872 0.0 93.134496 -5.640970 -7.315456 -709.147315 1800.00 (MoF5)3,gas (MoF5)3 (MoF5)3,gas F(15)Mo(3) JA98 13.Aug.24 -907574.1 -971700.0 168.940 0.0 123.672997 -4.147861 -9.448487 -585.911212 1800.00 OF,gas OF OF,gas F(1)O(1) JA98 13.Aug.24 25172.1 26057.6 51.720 0.0 11.470795 -0.509684 0.595919 -75.054607 1800.00 OFO,gas OFO OFO,gas F(1)O(2) JA98 13.Aug.24 94430.2 90492.8 60.060 0.0 20.647257 -1.572817 -0.567726 -168.180559 1800.00 FOO,gas FOO FOO,gas F(1)O(2) JA98 13.Aug.24 9422.1 6070.7 62.025 0.0 17.562961 -0.506534 0.416288 -125.370122 1800.00 FOF,gas FOF FOF,gas F(2)O(1) JA98 13.Aug.24 9986.6 5860.4 59.144 0.0 17.834442 -0.770178 -0.490291 -115.950834 1800.00 FOOF,gas FOOF FOOF,gas F(2)O(2) JA98 13.Aug.24 13904.6 4588.9 66.254 0.0 24.890489 -0.954052 -0.887791 -151.656664 1800.00 Fe,gas Fe Fe,gas Fe(1) JA98 13.Aug.24 88385.3 99300.0 43.138 0.0 0.146718 1.228282 -1.811955 132.162965 1800.00 Fe+,gas Fe+ Fe+,gas Fe(1)+ JA98 13.Aug.24 269793.0 282300.2 43.465 0.0 7.139301 -0.502025 0.215499 -17.085924 1800.00 Fe-,gas Fe- Fe-,gas Fe(1)- JA98 13.Aug.24 84611.1 94010.0 43.068 0.0 2.281447 0.355015 -1.897692 98.694674 1800.00 Fe(OH)2,gas Fe(OH)2 Fe(OH)2,gas Fe(1)H(2)O(2) JA98 13.Aug.24 -73294.9 -79000.0 67.660 0.0 28.476295 0.485792 -1.551416 -168.332458 1800.00 FeI2,gas FeI2 FeI2,gas Fe(1)I(2) JA98 13.Aug.24 6310.9 21000.0 83.556 0.0 12.656894 1.224869 -0.673370 39.405597 1800.00 FeO,gas FeO FeO,gas Fe(1)O(1) JA98 13.Aug.24 52017.0 60000.0 57.821 0.0 10.571007 -0.210564 -0.101578 -50.047429 1800.00 FeS,gas FeS FeS,gas Fe(1)S(1) JA98 13.Aug.24 74864.7 88615.4 60.312 0.0 9.199526 0.084016 -0.499918 -9.343927 1800.00 (FeI2)2,gas (FeI2)2 (FeI2)2,gas Fe(2)I(4) JA98 13.Aug.24 -16281.3 2000.0 129.893 0.0 28.874681 1.479024 -0.922605 53.490677 1800.00 Ga,gas Ga Ga,gas Ga(1) JA98 13.Aug.24 55864.2 65000.0 40.402 0.0 -0.186539 0.838404 -3.361716 168.475100 1800.00 Ga+,gas Ga+ Ga+,gas Ga(1)+ JA98 13.Aug.24 194630.0 204743.8 38.669 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Ga-,gas Ga- Ga-,gas Ga(1)- JA98 13.Aug.24 48887.9 57010.3 42.017 0.0 2.823057 0.696695 0.414057 53.867891 1800.00 H,gas H H,gas H(1) JA98 13.Aug.24 48584.6 52103.0 27.418 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 H+,gas H+ H+,gas H(1)+ JA98 13.Aug.24 362569.3 367171.6 26.039 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 H-,gas H- H-,gas H(1)- JA98 13.Aug.24 31616.2 33229.4 26.042 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 HgH,gas HgH HgH,gas H(1)Hg(1) JA98 13.Aug.24 51417.8 57000.0 52.511 0.0 12.331880 -0.127598 0.998410 -107.752005 1800.00 HI,gas HI HI,gas H(1)I(1) JA98 13.Aug.24 372.8 6300.0 49.376 0.0 10.188244 0.246067 1.433093 -84.287980 1800.00 SiHI3,gas SiHI3 SiHI3,gas H(1)I(3)Si(1) JA98 13.Aug.24 -26111.4 -17800.0 89.629 0.0 30.140400 -0.504278 -0.142949 -168.771441 1800.00 KH,gas KH KH,gas H(1)K(1) JA98 13.Aug.24 24553.3 29400.1 47.329 0.0 11.286050 -0.233319 0.206135 -69.750935 1800.00 KOH,gas KOH KOH,gas H(1)K(1)O(1) JA98 13.Aug.24 -55870.5 -55599.9 56.496 0.0 11.742681 1.095128 -0.990079 11.224489 1800.00 KOH+,gas KOH+ KOH+,gas H(1)K(1)O(1)+ JA98 13.Aug.24 116240.4 119000.0 59.831 0.0 11.635976 1.118661 -0.859060 14.333404 1800.00 LiH,gas LiH LiH,gas H(1)Li(1) JA98 13.Aug.24 28159.7 33609.9 40.848 0.0 12.480651 -0.397061 1.196682 -114.026522 1800.00 LiOH,gas LiOH LiOH,gas H(1)Li(1)O(1) JA98 13.Aug.24 -56973.5 -56000.0 50.349 0.0 12.305508 0.972219 -1.116663 -5.402375 1800.00 LiOH+,gas LiOH+ LiOH+,gas H(1)Li(1)O(1)+ JA98 13.Aug.24 182745.9 186000.0 52.984 0.0 12.233475 0.996125 -1.001604 -2.803092 1800.00 MgH,gas MgH MgH,gas H(1)Mg(1) JA98 13.Aug.24 33616.9 40400.1 46.176 0.0 12.508789 -0.392368 1.332578 -117.738876 1800.00 MgOH,gas MgOH MgOH,gas H(1)Mg(1)O(1) JA98 13.Aug.24 -41221.1 -39377.4 54.125 0.0 13.184783 0.795489 -1.213634 -30.636932 1800.00 MgOH+,gas MgOH+ MgOH+,gas H(1)Mg(1)O(1)+ JA98 13.Aug.24 136742.8 139680.0 52.778 0.0 13.096327 0.812972 -1.234827 -28.039666 1800.00 NH,gas NH NH,gas H(1)N(1) JA98 13.Aug.24 88567.2 90000.0 43.321 0.0 6.347752 1.142461 0.341580 -1.537882 1800.00 HNO,gas HNO HNO,gas H(1)N(1)O(1) JA98 13.Aug.24 26863.8 23800.0 52.754 0.0 18.970233 -0.331257 2.756439 -236.097867 1800.00 HONO,gas HONO HONO,gas H(1)N(1)O(2) JA98 13.Aug.24 -10011.5 -18340.1 59.612 0.0 26.613005 -0.609013 1.828853 -304.734899 1800.00 HONO,gas HONO HONO,gas H(1)N(1)O(2) JA98 13.Aug.24 -10500.5 -18840.1 59.575 0.0 25.722453 -0.445774 1.463758 -280.248356 1800.00 HONO2,gas HONO2 HONO2,gas H(1)N(1)O(3) JA98 13.Aug.24 -17672.3 -32099.9 63.671 0.0 37.868844 -1.576495 2.354425 -471.613699 1800.00 NaH,gas NaH NaH,gas H(1)Na(1) JA98 13.Aug.24 24598.2 29700.0 45.026 0.0 11.997236 -0.338880 0.672323 -93.578147 1800.00 NaOH,gas NaOH NaOH,gas H(1)Na(1)O(1) JA98 13.Aug.24 -47911.8 -47265.1 54.599 0.0 11.701972 1.097893 -1.033018 12.072929 1800.00 NaOH+,gas NaOH+ NaOH+,gas H(1)Na(1)O(1)+ JA98 13.Aug.24 158847.8 162000.0 57.989 0.0 11.672333 1.111292 -0.883129 13.288603 1800.00 OH,gas OH OH,gas H(1)O(1) JA98 13.Aug.24 8192.4 9318.1 43.907 0.0 5.204188 1.313159 0.076455 25.817178 1800.00 OH+,gas OH+ OH+,gas H(1)O(1)+ JA98 13.Aug.24 312245.9 314800.0 43.685 0.0 6.921821 1.044487 0.542712 -14.776901 1800.00 OH-,gas OH- OH-,gas H(1)O(1)- JA98 13.Aug.24 -33149.6 -34320.0 41.221 0.0 5.171911 1.304950 -0.111731 26.563448 1800.00 SrOH,gas SrOH SrOH,gas H(1)O(1)Sr(1) JA98 13.Aug.24 -50752.2 -49120.0 58.918 0.0 12.127702 1.013481 -1.270703 -0.246391 1800.00 SrOH+,gas SrOH+ SrOH+,gas H(1)O(1)Sr(1)+ JA98 13.Aug.24 73935.2 76673.0 57.612 0.0 12.104950 1.014303 -1.246980 0.606496 1800.00 HOO,gas HOO HOO,gas H(1)O(2) JA98 13.Aug.24 3448.9 500.0 54.758 0.0 15.884441 0.451327 1.482896 -161.405996 1800.00 PH,gas PH PH,gas H(1)P(1) JA98 13.Aug.24 49426.1 55834.4 46.927 0.0 9.305801 0.576157 1.203778 -66.331473 1800.00 PbH,gas PbH PbH,gas H(1)Pb(1) JA98 13.Aug.24 49991.6 56450.0 52.762 0.0 11.675137 -0.092707 1.199299 -102.781193 1800.00 HS,gas HS HS,gas H(1)S(1) JA98 13.Aug.24 25157.7 33300.0 46.756 0.0 7.309570 0.897981 0.937975 -14.621323 1800.00 SiH,gas SiH SiH,gas H(1)Si(1) JA98 13.Aug.24 81909.2 90024.4 47.333 0.0 11.267816 -0.021580 1.777294 -104.458186 1800.00 SiH+,gas SiH+ SiH+,gas H(1)Si(1)+ JA98 13.Aug.24 265491.9 274300.0 44.644 0.0 10.835512 0.086836 1.554734 -96.926125 1800.00 ZrH,gas ZrH ZrH,gas H(1)Zr(1) JA98 13.Aug.24 115422.6 123400.1 51.663 0.0 12.465617 -0.456549 1.188374 -113.480735 1800.00 H2+,gas H2+ H2+,gas H(2)+ JA98 13.Aug.24 354907.0 357234.9 34.027 0.0 10.114431 0.513314 1.471982 -84.790506 1800.00 H2-,gas H2- H2-,gas H(2)- JA98 13.Aug.24 56819.3 56255.5 34.356 0.0 12.310076 -0.183577 1.560643 -119.800021 1800.00 SiH2I2,gas SiH2I2 SiH2I2,gas H(2)I(2)Si(1) JA98 13.Aug.24 -13457.9 -9099.9 78.106 0.0 33.936677 -0.872794 1.346540 -326.775584 1800.00 (KOH)2,gas (KOH)2 (KOH)2,gas H(2)K(2)O(2) JA98 13.Aug.24 -146725.1 -156500.0 78.393 0.0 37.777085 -0.045519 2.505182 -364.706908 1800.00 (LiOH)2,gas (LiOH)2 (LiOH)2,gas H(2)Li(2)O(2) JA98 13.Aug.24 -161149.4 -170000.0 64.482 0.0 39.167625 -0.335077 1.196813 -404.167016 1800.00 Mg(OH)2,gas Mg(OH)2 Mg(OH)2,gas H(2)Mg(1)O(2) JA98 13.Aug.24 -129586.5 -136800.0 63.879 0.0 22.381541 1.600375 -2.393963 -61.567046 1800.00 O2Mo(OH)2,gas O2Mo(OH)2 O2Mo(OH)2,gas H(2)Mo(1)O(4) JA98 13.Aug.24 -188153.4 -203400.1 84.995 0.0 46.409727 -0.942546 0.214002 -371.125261 1800.00 NH2,gas NH2 NH2,gas H(2)N(1) JA98 13.Aug.24 47764.3 45500.0 46.536 0.0 12.254163 1.523692 2.028926 -119.936805 1800.00 HNNH,gas HNNH HNNH,gas H(2)N(2) JA98 13.Aug.24 58288.7 50900.1 52.247 0.0 27.756706 -0.245684 4.570654 -415.469759 1800.00 (NaOH)2,gas (NaOH)2 (NaOH)2,gas H(2)Na(2)O(2) JA98 13.Aug.24 -135840.8 -145200.0 73.469 0.0 37.947600 -0.081211 2.150887 -369.523809 1800.00 H2O,gas H2O H2O,gas H(2)O(1) JA98 13.Aug.24 -54632.4 -57797.8 45.132 0.0 9.680902 2.071256 1.241950 -63.075256 1800.00 HOOH,gas HOOH HOOH,gas H(2)O(2) JA98 13.Aug.24 -25202.0 -32530.1 55.686 0.0 19.908584 0.558624 0.162107 -172.030145 1500.00 Sr(OH)2,gas Sr(OH)2 Sr(OH)2,gas H(2)O(2)Sr(1) JA98 13.Aug.24 -136236.4 -142398.9 72.907 0.0 20.086425 2.059113 -2.487245 5.492798 1800.00 O2S(OH)2,gas O2S(OH)2 O2S(OH)2,gas H(2)O(4)S(1) JA98 13.Aug.24 -156158.2 -175700.0 71.414 0.0 49.110209 -1.087502 1.105691 -518.668935 1800.00 O2W(OH)2,gas O2W(OH)2 O2W(OH)2,gas H(2)O(4)W(1) JA98 13.Aug.24 -200706.5 -216500.0 84.130 0.0 48.489199 -1.310544 0.482532 -416.673235 1800.00 PH2,gas PH2 PH2,gas H(2)P(1) JA98 13.Aug.24 23017.7 25931.9 50.825 0.0 18.355629 -0.060781 3.022715 -231.155172 1800.00 H2S,gas H2S H2S,gas H(2)S(1) JA98 13.Aug.24 -7965.8 -4900.1 49.177 0.0 16.361634 0.647756 2.924679 -201.116939 1800.00 SiH3I,gas SiH3I SiH3I,gas H(3)I(1)Si(1) JA98 13.Aug.24 -365.4 -500.0 64.776 0.0 38.253975 -1.356829 3.570787 -497.843014 1800.00 NH3,gas NH3 NH3,gas H(3)N(1) JA98 13.Aug.24 -3911.8 -10969.9 46.074 0.0 20.150556 1.834883 3.557058 -278.943764 1800.00 H3O+,gas H3O+ H3O+,gas H(3)O(1)+ JA98 13.Aug.24 144982.6 138900.1 45.951 0.0 17.814034 2.037822 2.657524 -224.340159 1800.00 PH3,gas PH3 PH3,gas H(3)P(1) JA98 13.Aug.24 1718.7 1300.0 50.249 0.0 31.024536 -0.932636 5.489196 -483.577081 1800.00 N2H4,gas N2H4 N2H4,gas H(4)N(2) JA98 13.Aug.24 38057.4 22789.9 57.055 0.0 38.055927 0.913936 3.144715 -513.076009 1800.00 SiH4,gas SiH4 SiH4,gas H(4)Si(1) JA98 13.Aug.24 13582.0 8200.0 48.913 0.0 43.002432 -1.922235 6.520787 -681.745480 1800.00 He+,gas He+ He+,gas He(1)+ JA98 13.Aug.24 566574.8 568480.4 31.528 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Hf,gas Hf Hf,gas Hf(1) JA98 13.Aug.24 137585.8 147800.0 44.669 0.0 8.758812 0.572959 1.933228 -105.179472 1800.00 Hf+,gas Hf+ Hf+,gas Hf(1)+ JA98 13.Aug.24 294099.4 305676.4 44.226 0.0 4.659838 0.105993 -0.095752 6.593393 1800.00 Hf-,gas Hf- Hf-,gas Hf(1)- JA98 13.Aug.24 137731.8 146318.6 44.226 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Hg,gas Hg Hg,gas Hg(1) JA98 13.Aug.24 7619.5 14670.2 41.819 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Hg+,gas Hg+ Hg+,gas Hg(1)+ JA98 13.Aug.24 247885.0 256841.1 43.196 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 HgI,gas HgI HgI,gas Hg(1)I(1) JA98 13.Aug.24 21449.6 31900.1 67.101 0.0 8.943378 0.601544 -0.051626 -0.032894 1800.00 HgI2,gas HgI2 HgI2,gas Hg(1)I(2) JA98 13.Aug.24 -14119.0 -3854.9 80.355 0.0 14.934607 -0.006546 -0.245178 -0.856033 1800.00 HgO,gas HgO HgO,gas Hg(1)O(1) JA98 13.Aug.24 5684.5 10000.0 57.161 0.0 9.939801 -0.097244 -0.350399 -28.722632 1800.00 I,gas I I,gas I(1) JA98 13.Aug.24 16772.0 25516.7 43.209 0.0 4.470508 0.184930 -0.142203 10.349450 1800.00 I+,gas I+ I+,gas I(1)+ JA98 13.Aug.24 257637.9 268009.8 43.652 0.0 3.861956 0.421575 -0.307694 22.801766 1800.00 I-,gas I- I-,gas I(1)- JA98 13.Aug.24 -52936.9 -46508.4 40.454 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 KI,gas KI KI,gas I(1)K(1) JA98 13.Aug.24 -39658.7 -30000.0 61.731 0.0 8.953864 0.193686 -0.107547 -0.316296 1800.00 LiI,gas LiI LiI,gas I(1)Li(1) JA98 13.Aug.24 -32090.1 -21750.0 55.512 0.0 9.327962 0.089087 -0.408248 -10.965295 1800.00 MgI,gas MgI MgI,gas I(1)Mg(1) JA98 13.Aug.24 -5654.4 5882.9 60.384 0.0 9.017149 0.118778 -0.252776 -2.106525 1800.00 MoI,gas MoI MoI,gas I(1)Mo(1) JA98 13.Aug.24 105496.9 119200.0 66.676 0.0 8.628636 0.240248 -0.224730 6.630277 1800.00 ONI,gas ONI ONI,gas I(1)N(1)O(1) JA98 13.Aug.24 24910.9 26800.0 67.629 0.0 17.276693 -0.443334 1.116501 -124.154831 1800.00 PbI,gas PbI PbI,gas I(1)Pb(1) JA98 13.Aug.24 14545.4 25750.0 66.944 0.0 8.244634 0.369834 -0.287631 14.579710 1800.00 SiI,gas SiI SiI,gas I(1)Si(1) JA98 13.Aug.24 62348.9 74959.1 60.673 0.0 6.508435 0.540291 -1.733193 79.556545 1800.00 SrI,gas SrI SrI,gas I(1)Sr(1) JA98 13.Aug.24 -18579.3 -7288.2 65.060 0.0 8.906918 0.165696 -0.108920 0.711403 1800.00 TiI,gas TiI TiI,gas I(1)Ti(1) JA98 13.Aug.24 52673.5 65500.0 64.251 0.0 12.105225 -0.322360 -0.563511 -38.138128 1800.00 ZrI,gas ZrI ZrI,gas I(1)Zr(1) JA98 13.Aug.24 128554.3 141300.0 65.919 0.0 8.962450 0.213852 -0.148220 -0.569328 1800.00 I2,gas I2 I2,gas I(2) JA98 13.Aug.24 4618.8 14919.0 62.305 0.0 5.109212 1.590986 -1.228751 79.280671 1800.00 (KI)2,gas (KI)2 (KI)2,gas I(2)K(2) JA98 13.Aug.24 -111609.5 -100900.1 94.592 0.0 19.878322 -0.001467 -0.184742 -0.173287 1800.00 (LiI)2,gas (LiI)2 (LiI)2,gas I(2)Li(2) JA98 13.Aug.24 -97639.1 -86500.0 79.022 0.0 20.291392 -0.088166 -1.251982 -11.828883 1800.00 MgI2,gas MgI2 MgI2,gas I(2)Mg(1) JA98 13.Aug.24 -50319.8 -38300.0 75.882 0.0 15.128624 -0.046912 -0.442405 -6.361933 1800.00 MoI2,gas MoI2 MoI2,gas I(2)Mo(1) JA98 13.Aug.24 47736.9 61599.9 81.092 0.0 12.643002 -0.002220 -2.318677 117.975086 1800.00 PbI2,gas PbI2 PbI2,gas I(2)Pb(1) JA98 13.Aug.24 -13488.8 -760.0 85.935 0.0 13.918297 -0.001795 -0.119956 -0.216666 1800.00 SiI2,gas SiI2 SiI2,gas I(2)Si(1) JA98 13.Aug.24 8845.1 22099.9 76.714 0.0 14.136799 -0.047394 -0.620909 -6.396696 1800.00 SrI2,gas SrI2 SrI2,gas I(2)Sr(1) JA98 13.Aug.24 -77651.5 -65700.0 81.155 0.0 14.925065 -0.004457 -0.190973 -0.594294 1800.00 TiI2,gas TiI2 TiI2,gas I(2)Ti(1) JA98 13.Aug.24 -17296.6 -4700.0 77.360 0.0 12.371935 0.973105 -1.065810 51.785349 1800.00 ZrI2,gas ZrI2 ZrI2,gas I(2)Zr(1) JA98 13.Aug.24 -29451.0 -15928.1 82.405 0.0 13.927620 -0.003607 -0.193871 -0.490785 1800.00 MoI3,gas MoI3 MoI3,gas I(3)Mo(1) JA98 13.Aug.24 29397.2 43700.0 96.446 0.0 19.311881 0.834055 -0.106255 0.952206 1800.00 SiI3,gas SiI3 SiI3,gas I(3)Si(1) JA98 13.Aug.24 -4762.2 8440.2 90.417 0.0 20.291840 -0.088034 -1.007056 -11.859980 1800.00 TiI3,gas TiI3 TiI3,gas I(3)Ti(1) JA98 13.Aug.24 -48526.5 -35900.1 91.339 0.0 19.888385 -0.013592 -2.095697 30.600929 1800.00 ZrI3,gas ZrI3 ZrI3,gas I(3)Zr(1) JA98 13.Aug.24 -66161.3 -53000.0 95.071 0.0 19.924541 -0.011110 -0.461846 -1.479462 1800.00 MoI4,gas MoI4 MoI4,gas I(4)Mo(1) JA98 13.Aug.24 16123.6 29800.0 108.225 0.0 25.879791 -0.004448 -0.643646 -1.574867 1800.00 PbI4,gas PbI4 PbI4,gas I(4)Pb(1) JA98 13.Aug.24 -65706.0 -53648.9 111.440 0.0 25.858962 -0.005532 -0.362037 -0.705217 1800.00 SiI4,gas SiI4 SiI4,gas I(4)Si(1) JA98 13.Aug.24 -38182.4 -26400.1 99.534 0.0 26.411079 -0.120980 -1.241106 -16.324345 1800.00 TiI4,gas TiI4 TiI4,gas I(4)Ti(1) JA98 13.Aug.24 -78386.2 -66270.1 103.507 0.0 25.955172 -0.025725 -0.740737 -3.417431 1800.00 ZrI4,gas ZrI4 ZrI4,gas I(4)Zr(1) JA98 13.Aug.24 -99099.7 -86599.9 106.731 0.0 25.941903 -0.022884 -0.677536 -3.046770 1800.00 IO,gas IO IO,gas I(1)O(1) JA98 13.Aug.24 24489.7 30118.5 57.274 0.0 16.280308 -1.379329 1.633910 -169.848450 1800.00 OIO,gas OIO OIO,gas I(1)O(2) JA98 13.Aug.24 36778.7 38079.1 67.272 0.0 16.684104 -0.550964 -0.587560 -81.275010 1800.00 IOO,gas IOO IOO,gas I(1)O(2) JA98 13.Aug.24 25487.1 27849.7 70.835 0.0 17.525227 -0.590498 1.106060 -119.950855 1800.00 IO3,gas IO3 IO3,gas I(1)O(3) JA98 13.Aug.24 63000.2 57810.9 70.022 0.0 24.515635 -0.922408 -1.477552 -136.068909 1800.00 IOI,gas IOI IOI,gas I(2)O(1) JA98 13.Aug.24 22187.4 28557.6 73.640 0.0 14.645436 -0.150048 -0.873350 -21.119367 1800.00 IIO,gas IIO IIO,gas I(2)O(1) JA98 13.Aug.24 17514.1 25490.4 79.027 0.0 15.155177 -0.248238 -0.413471 -36.365656 1800.00 K,gas K K,gas K(1) JA98 13.Aug.24 14454.1 21271.5 38.322 0.0 4.846652 0.041848 -0.037665 2.594653 1800.00 K+,gas K+ K+,gas K(1)+ JA98 13.Aug.24 114949.1 122850.6 36.945 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 K-,gas K- K-,gas K(1)- JA98 13.Aug.24 3314.5 8226.3 36.945 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 KO,gas KO KO,gas K(1)O(1) JA98 13.Aug.24 11956.0 17000.0 56.890 0.0 9.055409 0.203170 -0.295393 -3.192663 1800.00 KO-,gas KO- KO-,gas K(1)O(1)- JA98 13.Aug.24 -35713.9 -33000.0 54.089 0.0 9.068680 0.194217 -0.305363 -3.567059 1800.00 K2,gas K2 K2,gas K(2) JA98 13.Aug.24 20984.9 29560.9 59.677 0.0 14.545981 -3.458266 0.066810 -78.519181 1800.00 K2SO4,gas K2SO4 K2SO4,gas K(2)O(4)S(1) JA98 13.Aug.24 -246853.5 -261500.0 87.512 0.0 51.752204 -2.717290 -0.746222 -417.319344 1800.00 Kr+,gas Kr+ Kr+,gas Kr(1)+ JA98 13.Aug.24 322003.8 324320.0 41.972 0.0 3.878644 0.464567 -0.265228 21.509597 1800.00 Li,gas Li Li,gas Li(1) JA98 13.Aug.24 30256.7 38073.6 33.169 0.0 4.932906 0.011833 -0.011121 0.755572 1800.00 Li+,gas Li+ Li+,gas Li(1)+ JA98 13.Aug.24 154989.7 163890.8 31.792 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Li-,gas Li- Li-,gas Li(1)- JA98 13.Aug.24 16429.7 22341.1 31.792 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 LiN,gas LiN LiN,gas Li(1)N(1) JA98 13.Aug.24 74060.2 80000.0 49.772 0.0 10.017018 -0.021682 -0.331183 -31.007340 1800.00 LiON,gas LiON LiON,gas Li(1)N(1)O(1) JA98 13.Aug.24 41726.6 43000.0 58.636 0.0 18.385537 -0.813172 0.482601 -139.459718 1800.00 LiONa,gas LiONa LiONa,gas Li(1)Na(1)O(1) JA98 13.Aug.24 -30226.6 -25000.0 61.295 0.0 18.580417 -0.917468 -0.028696 -138.099958 1800.00 LiO,gas LiO LiO,gas Li(1)O(1) JA98 13.Aug.24 14448.9 20099.9 50.421 0.0 10.219554 -0.119864 -0.270460 -36.976255 1800.00 LiO-,gas LiO- LiO-,gas Li(1)O(1)- JA98 13.Aug.24 -19321.0 -16000.0 47.620 0.0 10.242412 -0.131165 -0.262881 -37.656184 1800.00 Li2,gas Li2 Li2,gas Li(2) JA98 13.Aug.24 41708.4 51601.3 47.084 0.0 15.332738 -1.980455 1.458751 -133.360805 1800.00 Li2O,gas Li2O Li2O,gas Li(2)O(1) JA98 13.Aug.24 -44771.7 -39900.1 54.758 0.0 18.686039 -0.747089 -0.119591 -111.423255 1800.00 (LiO)2,gas (LiO)2 (LiO)2,gas Li(2)O(2) JA98 13.Aug.24 -58730.2 -58000.0 65.383 0.0 20.761605 -0.185547 -1.661800 -25.218258 1800.00 Li2SO4,gas Li2SO4 Li2SO4,gas Li(2)O(4)S(1) JA98 13.Aug.24 -236337.2 -249000.0 77.156 0.0 53.073270 -2.970362 -1.280911 -457.112064 1800.00 Mg,gas Mg Mg,gas Mg(1) JA98 13.Aug.24 26893.4 35157.7 35.528 0.0 4.966878 0.000353 -0.000364 0.023980 1800.00 Mg+,gas Mg+ Mg+,gas Mg(1)+ JA98 13.Aug.24 202795.2 212965.3 36.905 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 MgN,gas MgN MgN,gas Mg(1)N(1) JA98 13.Aug.24 62133.4 69000.0 53.737 0.0 10.022746 -0.102183 -0.329425 -31.162929 1800.00 MgO,gas MgO MgO,gas Mg(1)O(1) JA98 13.Aug.24 8340.1 13900.1 50.973 0.0 53.777905 -11.323896 12.335516 -975.729095 1800.00 MgS,gas MgS MgS,gas Mg(1)S(1) JA98 13.Aug.24 23254.5 34710.1 53.892 0.0 47.541113 -10.790638 7.905622 -777.784073 1800.00 Mg2,gas Mg2 Mg2,gas Mg(2) JA98 13.Aug.24 56284.7 68744.0 57.406 0.0 4.845689 0.038917 0.705086 2.682242 1800.00 Mn,gas Mn Mn,gas Mn(1) JA98 13.Aug.24 57602.1 67700.0 41.519 0.0 4.952361 0.005224 -0.004996 0.337408 1800.00 Mn+,gas Mn+ Mn+,gas Mn(1)+ JA98 13.Aug.24 228991.4 240675.4 41.825 0.0 4.651491 0.111902 -0.095495 6.704998 1800.00 Mo,gas Mo Mo,gas Mo(1) JA98 13.Aug.24 146572.7 157500.0 43.487 0.0 4.491447 0.165537 -0.146526 10.160309 1800.00 Mo+,gas Mo+ Mo+,gas Mo(1)+ JA98 13.Aug.24 310365.0 322695.7 43.181 0.0 4.640472 0.112488 -0.101931 7.011542 1800.00 Mo-,gas Mo- Mo-,gas Mo(1)- JA98 13.Aug.24 129474.7 138815.7 43.181 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 MoO,gas MoO MoO,gas Mo(1)O(1) JA98 13.Aug.24 66440.7 74321.0 57.783 0.0 9.167128 0.038043 0.006046 -9.956854 1800.00 MoO2,gas MoO2 MoO2,gas Mo(1)O(2) JA98 13.Aug.24 -5068.4 -1987.1 66.202 0.0 18.157976 -0.825757 -0.071967 -125.916601 1800.00 MoO3,gas MoO3 MoO3,gas Mo(1)O(3) JA98 13.Aug.24 -79064.1 -82800.0 67.853 0.0 26.750288 -1.354538 -0.376663 -203.063951 1800.00 N,gas N N,gas N(1) JA98 13.Aug.24 108876.7 112973.9 36.640 0.0 4.966906 0.000347 -0.000353 0.023321 1800.00 N+,gas N+ N+,gas N(1)+ JA98 13.Aug.24 443784.9 449839.9 38.192 0.0 4.966148 0.001157 0.106968 0.002698 1800.00 N-,gas N- N-,gas N(1)- JA98 13.Aug.24 110104.4 113178.8 38.223 0.0 4.961859 0.001246 0.043458 0.177424 1800.00 NO,gas NO NO,gas N(1)O(1) JA98 13.Aug.24 20697.9 21580.1 50.372 0.0 11.688417 -0.229799 1.756817 -111.307720 1800.00 NO+,gas NO+ NO+,gas N(1)O(1)+ JA98 13.Aug.24 235176.4 236659.9 47.375 0.0 9.739161 0.291625 1.319033 -74.678436 1800.00 NO2,gas NO2 NO2,gas N(1)O(2) JA98 13.Aug.24 12251.0 7909.9 57.370 0.0 22.126499 -1.365771 2.464779 -270.313079 1800.00 ONO-,gas ONO- ONO-,gas N(1)O(2)- JA98 13.Aug.24 -42369.3 -48450.0 56.548 0.0 21.984705 -1.479998 1.713680 -250.110646 1800.00 NO3,gas NO3 NO3,gas N(1)O(3) JA98 13.Aug.24 27753.6 17000.0 60.377 0.0 31.821786 -2.313690 0.637472 -357.004621 1800.00 PN,gas PN PN,gas N(1)P(1) JA98 13.Aug.24 19751.7 25043.0 50.463 0.0 12.394656 -0.563709 1.069351 -109.329514 1800.00 NS,gas NS NS,gas N(1)S(1) JA98 13.Aug.24 56285.4 63000.0 53.080 0.0 11.921726 -0.481420 1.058130 -92.791877 1800.00 SiN,gas SiN SiN,gas N(1)Si(1) JA98 13.Aug.24 81718.2 89000.0 51.819 0.0 8.304420 0.969754 -0.300182 -18.446923 1800.00 Si2N,gas Si2N Si2N,gas N(1)Si(2) JA98 13.Aug.24 86232.1 95000.0 61.302 0.0 18.130481 -0.635949 -0.461068 -95.206569 1800.00 VN,gas VN VN,gas N(1)V(1) JA98 13.Aug.24 117258.1 125000.0 55.780 0.0 12.042381 -0.540907 0.091706 -78.670974 1800.00 ZrN,gas ZrN ZrN,gas N(1)Zr(1) JA98 13.Aug.24 163458.7 170500.0 55.805 0.0 10.656206 -0.269626 -0.103161 -50.092517 1800.00 N2+,gas N2+ N2+,gas N(2)+ JA98 13.Aug.24 358852.8 360778.9 47.242 0.0 9.518680 0.468230 1.205273 -69.796192 1800.00 N2-,gas N2- N2-,gas N(2)- JA98 13.Aug.24 36093.5 35519.8 48.885 0.0 11.718022 -0.242073 1.633474 -112.050369 1800.00 N2O,gas N2O N2O,gas N(2)O(1) JA98 13.Aug.24 24899.4 19609.9 52.571 0.0 21.009068 -0.783267 1.597771 -230.218892 1800.00 N2O+,gas N2O+ N2O+,gas N(2)O(1)+ JA98 13.Aug.24 321494.0 318690.0 55.893 0.0 21.643100 -1.101919 1.567306 -224.068115 1800.00 N2O3,gas N2O3 N2O3,gas N(2)O(3) JA98 13.Aug.24 33395.6 19800.0 73.743 0.0 37.157662 -1.974631 2.759796 -414.191935 1800.00 N2O4,gas N2O4 N2O4,gas N(2)O(4) JA98 13.Aug.24 23371.7 2169.9 72.748 0.0 49.812745 -3.034173 3.254609 -589.058208 1800.00 N2O5,gas N2O5 N2O5,gas N(2)O(5) JA98 13.Aug.24 28205.8 2700.0 82.827 0.0 52.512022 -3.344374 -0.432954 -484.416805 1800.00 N3,gas N3 N3,gas N(3) JA98 13.Aug.24 103343.0 99000.0 54.127 0.0 21.922290 -1.121342 1.645644 -236.463876 1800.00 Na,gas Na Na,gas Na(1) JA98 13.Aug.24 18361.6 25645.3 36.727 0.0 4.959295 0.002917 -0.002762 0.187213 1800.00 Na+,gas Na+ Na+,gas Na(1)+ JA98 13.Aug.24 137265.1 145636.5 35.362 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Na-,gas Na- Na-,gas Na(1)- JA98 13.Aug.24 6147.0 11528.7 35.362 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 NaO,gas NaO NaO,gas Na(1)O(1) JA98 13.Aug.24 14647.9 20000.0 54.764 0.0 9.196197 0.146816 -0.377483 -7.198354 1800.00 NaO-,gas NaO- NaO-,gas Na(1)O(1)- JA98 13.Aug.24 -32027.0 -29000.0 51.981 0.0 9.216333 0.149907 -0.384423 -7.772203 1800.00 Na2,gas Na2 Na2,gas Na(2) JA98 13.Aug.24 24881.7 33955.5 55.029 0.0 18.722494 -3.303697 2.487643 -198.880554 1800.00 Na2SO4,gas Na2SO4 Na2SO4,gas Na(2)O(4)S(1) JA98 13.Aug.24 -232901.8 -247039.9 82.900 0.0 52.191846 -2.806404 -1.121156 -430.054660 1800.00 Nb,gas Nb Nb,gas Nb(1) JA98 13.Aug.24 164525.6 175200.0 44.517 0.0 2.141136 0.641760 -1.436205 111.943800 1800.00 Nb+,gas Nb+ Nb+,gas Nb(1)+ JA98 13.Aug.24 323353.5 335314.1 43.818 0.0 3.646811 0.793567 -0.586907 66.122061 1800.00 Nb-,gas Nb- Nb-,gas Nb(1)- JA98 13.Aug.24 144029.9 153197.4 44.478 0.0 1.850635 0.624028 -0.316773 90.682706 1800.00 NbO,gas NbO NbO,gas Nb(1)O(1) JA98 13.Aug.24 40378.3 47500.0 57.117 0.0 11.326935 -0.415667 0.237123 -71.147009 1800.00 NbO2,gas NbO2 NbO2,gas Nb(1)O(2) JA98 13.Aug.24 -50031.1 -47800.0 65.230 0.0 18.469665 -0.895308 0.073786 -134.862541 1800.00 Ne+,gas Ne+ Ne+,gas Ne(1)+ JA98 13.Aug.24 496448.1 498796.8 37.836 0.0 4.322706 0.021367 -0.798984 31.904483 1800.00 Ni,gas Ni Ni,gas Ni(1) JA98 13.Aug.24 91945.7 102800.0 43.544 0.0 8.352357 -0.897323 0.287417 -48.978482 1800.00 Ni+,gas Ni+ Ni+,gas Ni(1)+ JA98 13.Aug.24 268189.8 281788.5 47.735 0.0 31.025346 -4.361676 42.738022 -825.928217 1800.00 Ni-,gas Ni- Ni-,gas Ni(1)- JA98 13.Aug.24 65696.5 74513.4 41.725 0.0 8.749442 -0.983133 0.605713 -71.215766 1800.00 NiS,gas NiS NiS,gas Ni(1)S(1) JA98 13.Aug.24 71860.4 85425.2 60.297 0.0 15.834580 -1.618122 0.751426 -137.714855 1800.00 O,gas O O,gas O(1) JA98 13.Aug.24 55386.2 59553.8 38.494 0.0 4.835592 0.027497 0.154845 3.794861 1800.00 O+,gas O+ O+,gas O(1)+ JA98 13.Aug.24 369720.8 374948.9 37.036 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 O-,gas O- O-,gas O(1)- JA98 13.Aug.24 21902.0 24341.8 37.713 0.0 4.837178 0.026355 0.105937 3.818128 1800.00 PO,gas PO PO,gas O(1)P(1) JA98 13.Aug.24 -11266.5 -5628.1 53.245 0.0 11.957467 -0.492961 1.094257 -94.173891 1800.00 PbO,gas PbO PbO,gas O(1)Pb(1) JA98 13.Aug.24 11620.9 16800.0 57.371 0.0 10.118006 -0.159089 -0.302070 -33.978892 1800.00 SO,gas SO SO,gas O(1)S(1) JA98 13.Aug.24 -5025.3 1196.7 53.046 0.0 10.753000 -0.037272 0.321113 -67.424679 1800.00 SSO,gas SSO SSO,gas O(1)S(2) JA98 13.Aug.24 -22934.0 -13500.0 63.819 0.0 18.171874 -0.816689 0.022983 -128.210415 1800.00 SiO,gas SiO SiO,gas O(1)Si(1) JA98 13.Aug.24 -30426.6 -24000.0 50.569 0.0 12.229514 -0.551979 0.879861 -102.118996 1800.00 SrO,gas SrO SrO,gas O(1)Sr(1) JA98 13.Aug.24 -8315.7 -3200.0 54.985 0.0 1.074180 3.078093 -2.958157 158.550949 1800.00 TaO,gas TaO TaO,gas O(1)Ta(1) JA98 13.Aug.24 39082.7 46000.0 57.628 0.0 10.783360 0.432403 0.522810 -72.218393 1800.00 TiO,gas TiO TiO,gas O(1)Ti(1) JA98 13.Aug.24 5864.0 13000.0 55.802 0.0 11.547568 -0.455791 0.131292 -65.821287 1800.00 VO,gas VO VO,gas O(1)V(1) JA98 13.Aug.24 23417.3 30500.0 55.187 0.0 11.340136 -0.390639 0.267267 -72.474677 1800.00 WO,gas WO WO,gas O(1)W(1) JA98 13.Aug.24 93550.2 101599.9 59.321 0.0 11.524372 -0.441586 0.381936 -78.470326 1800.00 ZrO,gas ZrO ZrO,gas O(1)Zr(1) JA98 13.Aug.24 7858.5 14000.0 54.404 0.0 9.843901 2.854260 1.683992 -88.650481 1800.00 O2+,gas O2+ O2+,gas O(2)+ JA98 13.Aug.24 278278.0 279848.9 49.287 0.0 11.717239 -0.230811 1.634554 -112.111859 1800.00 O2-,gas O2- O2-,gas O(2)- JA98 13.Aug.24 -10435.7 -11614.0 50.093 0.0 11.727078 -0.412602 0.478984 -84.137474 1800.00 PO2,gas PO2 PO2,gas O(2)P(1) JA98 13.Aug.24 -75704.6 -75173.0 60.632 0.0 19.382521 -1.065865 0.211928 -162.783878 1800.00 SO2,gas SO2 SO2,gas O(2)S(1) JA98 13.Aug.24 -71731.6 -70946.9 59.324 0.0 20.792880 -1.087282 1.384576 -215.893004 1800.00 SiO2,gas SiO2 SiO2,gas O(2)Si(1) JA98 13.Aug.24 -73357.1 -73000.0 54.727 0.0 21.121066 -1.123031 0.875242 -194.484439 1800.00 TaO2,gas TaO2 TaO2,gas O(2)Ta(1) JA98 13.Aug.24 -50400.6 -48000.0 66.995 0.0 18.283630 -0.843953 0.000375 -130.116510 1800.00 TiO2,gas TiO2 TiO2,gas O(2)Ti(1) JA98 13.Aug.24 -74727.5 -73000.0 62.177 0.0 18.432873 -0.887811 0.100659 -133.786916 1800.00 WO2,gas WO2 WO2,gas O(2)W(1) JA98 13.Aug.24 14901.5 18300.0 68.236 0.0 18.558426 -0.910765 0.124692 -137.694590 1800.00 ZrO2,gas ZrO2 ZrO2,gas O(2)Zr(1) JA98 13.Aug.24 -70518.4 -68400.1 65.427 0.0 17.484626 -0.713148 -0.199599 -104.564751 1800.00 O3,gas O3 O3,gas O(3) JA98 13.Aug.24 39001.9 34099.9 57.106 0.0 20.378898 -1.101909 0.570545 -195.588735 1800.00 SO3,gas SO3 SO3,gas O(3)S(1) JA98 13.Aug.24 -88675.0 -94590.1 61.369 0.0 31.019126 -2.017005 1.637577 -348.289400 1800.00 WO3,gas WO3 WO3,gas O(3)W(1) JA98 13.Aug.24 -66156.3 -70000.0 68.461 0.0 26.002006 -1.193519 -0.466451 -182.417140 1800.00 VO2,gas VO2 VO2,gas O(2)V(1) JA98 13.Aug.24 -57822.2 -55599.9 63.401 0.0 18.469665 -0.895308 0.073786 -134.862541 1800.00 (P2O3)2,gas (P2O3)2 (P2O3)2,gas O(6)P(4) JA98 13.Aug.24 -498297.6 -529232.1 82.610 0.0 75.539259 -3.978877 -5.675432 -581.328839 1800.00 (WO3)2,gas (WO3)2 (WO3)2,gas O(6)W(2) JA98 13.Aug.24 -259304.7 -278200.0 99.331 0.0 47.081004 -0.695547 -4.102957 -95.902284 1800.00 W3O8,gas W3O8 W3O8,gas O(8)W(3) JA98 13.Aug.24 -378446.5 -408700.0 118.072 0.0 71.621357 -2.022299 -4.387286 -290.703551 1800.00 (WO3)3,gas (WO3)3 (WO3)3,gas O(9)W(3) JA98 13.Aug.24 -446796.8 -483599.9 120.620 0.0 78.295945 -2.171762 -5.708285 -310.845581 1800.00 (P2O5)2,gas (P2O5)2 (P2O5)2,gas O(10)P(4) JA98 13.Aug.24 -638076.2 -694092.0 96.550 0.0 120.309677 -7.753642 -1.249998 -1236.328905 1800.00 (WO3)4,gas (WO3)4 (WO3)4,gas O(12)W(4) JA98 13.Aug.24 -616310.0 -670200.0 144.663 0.0 104.753117 -2.693600 -6.851358 -387.122175 1800.00 P,gas P P,gas P(1) JA98 13.Aug.24 66916.8 75619.0 39.005 0.0 4.671324 0.103256 -0.091012 6.320315 1800.00 P+,gas P+ P+,gas P(1)+ JA98 13.Aug.24 308925.2 319391.3 39.907 0.0 3.694963 0.322082 0.427547 33.028422 1800.00 P-,gas P- P-,gas P(1)- JA98 13.Aug.24 49425.2 57054.7 40.422 0.0 3.940779 0.359454 -0.063144 22.765102 1800.00 PS,gas PS PS,gas P(1)S(1) JA98 13.Aug.24 21646.5 33126.9 55.985 0.0 9.420800 -0.024643 -0.161394 -14.003637 1800.00 P2,gas P2 P2,gas P(2) JA98 13.Aug.24 24644.4 34333.9 52.135 0.0 10.366392 -0.232438 -0.219074 -41.479331 1800.00 P4,gas P4 P4,gas P(4) JA98 13.Aug.24 5835.6 14079.1 66.920 0.0 21.773447 -0.394898 -2.210514 -54.069814 1800.00 P4S3,gas P4S3 P4S3,gas P(4)S(3) JA98 13.Aug.24 -40289.2 -36099.9 76.306 0.0 37.000000 0.000000 0.000000 0.000000 1800.00 Pb,gas Pb Pb,gas Pb(1) JA98 13.Aug.24 38773.4 46653.9 41.915 0.0 1.398953 1.302210 -1.041609 74.765731 1800.00 Pb+,gas Pb+ Pb+,gas Pb(1)+ JA98 13.Aug.24 209381.2 219167.3 43.293 0.0 4.927466 0.013830 -0.012685 0.869055 1800.00 Pb-,gas Pb- Pb-,gas Pb(1)- JA98 13.Aug.24 29571.7 36778.7 44.670 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 PbS,gas PbS PbS,gas Pb(1)S(1) JA98 13.Aug.24 20485.4 31500.0 60.089 0.0 9.129551 0.044015 -0.385407 -5.624365 1800.00 Pb2,gas Pb2 Pb2,gas Pb(2) JA98 13.Aug.24 68685.5 79500.0 67.240 0.0 8.979171 0.380250 -0.185380 -1.035919 1800.00 Rb,gas Rb Rb,gas Rb(1) JA98 13.Aug.24 12685.9 19335.6 40.653 0.0 4.821680 0.050600 -0.045402 3.127565 1800.00 Rb+,gas Rb+ Rb+,gas Rb(1)+ JA98 13.Aug.24 109409.9 117143.6 39.276 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Rb-,gas Rb- Rb-,gas Rb(1)- JA98 13.Aug.24 1904.9 6648.9 39.276 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Rb2,gas Rb2 Rb2,gas Rb(2) JA98 13.Aug.24 18703.2 27077.0 64.787 0.0 9.004382 -2.222604 -1.848720 48.374939 1800.00 Rn+,gas Rn+ Rn+,gas Rn(1)+ JA98 13.Aug.24 247031.3 249347.5 44.876 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 S,gas S S,gas S(1) JA98 13.Aug.24 56524.9 66199.8 40.112 0.0 3.361559 0.348503 -0.438472 46.421595 1800.00 S+,gas S+ S+,gas S(1)+ JA98 13.Aug.24 295604.9 306475.4 39.108 0.0 4.937972 0.010185 -0.009449 0.644930 1800.00 S-,gas S- S-,gas S(1)- JA98 13.Aug.24 8800.7 16773.4 39.416 0.0 3.891290 0.191549 -0.429662 34.222003 1800.00 SiS,gas SiS SiS,gas S(1)Si(1) JA98 13.Aug.24 13002.6 25325.0 53.489 0.0 10.206152 -0.200014 -0.274330 -36.560498 1800.00 SrS,gas SrS SrS,gas S(1)Sr(1) JA98 13.Aug.24 14789.2 25859.9 58.104 0.0 -6.255191 5.730849 -4.756738 315.698585 1800.00 S2,gas S2 S2,gas S(2) JA98 13.Aug.24 19045.7 30736.1 54.533 0.0 8.404064 0.626555 -0.666210 -1.483599 1800.00 S3,gas S3 S3,gas S(3) JA98 13.Aug.24 21457.2 33810.0 64.416 0.0 12.853883 1.039994 -1.554103 0.003020 1800.00 S4,gas S4 S4,gas S(4) JA98 13.Aug.24 21840.6 34840.1 74.246 0.0 19.091555 0.783184 -2.819978 0.007428 1800.00 S5,gas S5 S5,gas S(5) JA98 13.Aug.24 15568.1 26140.1 73.766 0.0 25.557454 0.253134 -3.771240 0.012477 1800.00 S6,gas S6 S6,gas S(6) JA98 13.Aug.24 12834.4 24359.9 84.626 0.0 31.581291 0.119635 -4.399505 -0.029678 1800.00 S7,gas S7 S7,gas S(7) JA98 13.Aug.24 14109.5 27169.9 97.436 0.0 37.037953 0.613021 -4.722933 0.000226 1800.00 S8,gas S8 S8,gas S(8) JA98 13.Aug.24 11610.4 24000.0 102.847 0.0 46.198531 -0.517530 -4.175133 -70.287510 1800.00 Si,gas Si Si,gas Si(1) JA98 13.Aug.24 96923.5 107552.6 40.148 0.0 3.931563 0.406280 0.028966 21.216676 1800.00 Si+,gas Si+ Si+,gas Si(1)+ JA98 13.Aug.24 285166.3 296965.8 39.060 0.0 4.553665 0.092049 0.530246 11.110192 1800.00 Si-,gas Si- Si-,gas Si(1)- JA98 13.Aug.24 65103.0 73809.5 38.713 0.0 2.281754 0.994467 -0.771635 55.974404 1800.00 Si2,gas Si2 Si2,gas Si(2) JA98 13.Aug.24 127307.1 141000.0 54.922 0.0 21.283640 -2.701627 2.908562 -267.669285 1800.00 Si3,gas Si3 Si3,gas Si(3) JA98 13.Aug.24 136932.8 152000.0 64.029 0.0 15.323046 -0.006132 -1.107508 -16.008376 1800.00 Sr,gas Sr Sr,gas Sr(1) JA98 13.Aug.24 31433.6 39196.9 39.350 0.0 4.827337 0.047776 -0.044294 3.023003 1800.00 Sr+,gas Sr+ Sr+,gas Sr(1)+ JA98 13.Aug.24 162335.3 172004.3 40.727 0.0 4.901188 0.022721 -0.020995 1.434698 1800.00 Ta,gas Ta Ta,gas Ta(1) JA98 13.Aug.24 176656.5 186900.1 44.268 0.0 10.372376 0.389325 2.250198 -138.172140 1800.00 Ta+,gas Ta+ Ta+,gas Ta(1)+ JA98 13.Aug.24 358648.2 370255.7 43.830 0.0 10.515039 -0.138096 0.590554 -96.652037 1800.00 Ta-,gas Ta- Ta-,gas Ta(1)- JA98 13.Aug.24 170056.2 178045.2 41.721 0.0 10.624406 -2.425195 -2.647312 -20.021264 1800.00 Ti,gas Ti Ti,gas Ti(1) JA98 13.Aug.24 102544.0 113200.0 43.092 0.0 0.979492 1.431741 -0.517223 86.351909 1800.00 Ti+,gas Ti+ Ti+,gas Ti(1)+ JA98 13.Aug.24 259662.8 272048.8 43.880 0.0 1.685994 0.764265 -1.617697 106.029682 1800.00 Ti-,gas Ti- Ti-,gas Ti(1)- JA98 13.Aug.24 100498.1 109902.7 43.909 0.0 4.825710 0.030364 0.350907 3.960286 1800.00 V,gas V V,gas V(1) JA98 13.Aug.24 112271.5 123200.0 43.570 0.0 10.250269 -1.080681 2.237064 -107.174797 1800.00 V+,gas V+ V+,gas V(1)+ JA98 13.Aug.24 267601.8 280102.1 43.828 0.0 9.461011 -0.383866 2.331040 -110.412054 1800.00 V-,gas V- V-,gas V(1)- JA98 13.Aug.24 100090.6 109605.2 43.842 0.0 4.813505 0.033169 0.390421 4.275543 1800.00 W,gas W W,gas W(1) JA98 13.Aug.24 193331.3 203400.1 41.576 0.0 46.954122 -10.070452 11.797523 -898.530340 1800.00 W+,gas W+ W+,gas W(1)+ JA98 13.Aug.24 377035.6 389011.2 42.958 0.0 16.048842 -1.282853 2.820567 -236.879206 1800.00 W-,gas W- W-,gas W(1)- JA98 13.Aug.24 173490.0 183120.0 45.120 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Xe+,gas Xe+ Xe+,gas Xe(1)+ JA98 13.Aug.24 278886.5 281202.7 43.310 0.0 4.869287 0.034666 -0.029977 2.095552 1800.00 Zn,gas Zn Zn,gas Zn(1) JA98 13.Aug.24 22671.8 31171.1 38.477 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Zn+,gas Zn+ Zn+,gas Zn(1)+ JA98 13.Aug.24 237524.6 247929.3 39.854 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Zn-,gas Zn- Zn-,gas Zn(1)- JA98 13.Aug.24 19255.3 26259.6 38.477 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Zr,gas Zr Zr,gas Zr(1) JA98 13.Aug.24 135647.5 145800.0 43.342 0.0 -3.177448 2.822153 -3.451873 216.984459 1800.00 Zr+,gas Zr+ Zr+,gas Zr(1)+ JA98 13.Aug.24 293294.7 305105.9 43.891 0.0 4.204490 0.784611 -0.539050 50.853740 1800.00 Zr-,gas Zr- Zr-,gas Zr(1)- JA98 13.Aug.24 126060.7 135033.2 44.398 0.0 0.932216 0.760860 -1.220532 122.249334 1800.00