HP11:Holland, T.J.B., Powell, R., 2011. An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. J. Metamorph. Geol. 29, 333-383. JA85:NIST-JANAF Thermochemical Tables. NIST Standard Reference Database 13. Version 1.0, (1985). Data compiled and evaluated by M.W.Chase,Jr., C.A.Davies, J.R.Downey,Jr., D.J. Frurip, R.A. McDonald, and A.N. Syverud. Distributed by Standard Reference Data Program National Institute of Standards and Technology. Gaithersburg, MD 20899. https://janaf.nist.gov/ The JA85 data appear to be compiled from these references cited in Gastherm 1990: JA71:Stull, D. R., and Prophet, H., 1971, Janaf thermochemical tables, 2d ed.: Natl. Bur. Standards, Natl. Standards Ref. Data Ser., NBS37, 1141 p. JA74:Chase, M. W., Curnutt, J. L., Hu, A. T., Prophet, H., Syverud, A. N., and Walker, L. C., 1974, Janaf thermochemical tables, 1974 supplement: Jour. Phys. and Chem. Reference Data, v. 3, p. 311-480. JA75:Chase, M. W., Curnutt, J. L., Prophet, H., McDonald, R. A., and Syverud, A. N., 1975, Janaf thermochemical tables, 1975 supplement: Jour. Phys. and Chem. Reference Data, v. 4, p. 1-175. JA78:Chase, M. W., Jr., Curnutt, J. L., McDonald, R. A., and Syverud, A. N., 1978, Janaf thermochemical tables, 1978 supplement: Jour. Phys. and Chem. Reference Data, v. 7, p. 793-940. JA82:Chase, M. W., Jr., Curnutt, J. L., Downey, J. R., McDonald, R. A. Syverud, A. N., and Valenzuela, E. A., 1982, Janaf thermochemical tables, 1982 supplement: Jour. Phys. and Chem. Reference Data, v. 11, p. 695-940. KKH91:Knacke, O., Kubaschewski, O., and Hesselmann, K. (Eds), 1991, Thermochemical properties of inorganic substances, 2nd edition Berlin, Springer-Verlag, 2412 p. ************************************************************************ gases ************************************************************************ H2,gas H2 H2,gas H(2) HP2011 31.DEC.11 -1.4 0.0 31.238 0.000 5.568834 1.105880 0.000000 18.236138 1800.00 H2O,gas H2O H2O,gas H(2)O(1) HP2011 31.DEC.11 -54626.1 -57794.0 45.124 0.000 9.584130 2.068834 1.165153 -60.038241 1800.00 CO2,gas CO2 CO2,gas C(1)O(2) HP2011 31.DEC.11 -94251.4 -94051.1 51.076 0.000 20.984704 -0.631931 1.688336 -238.742829 1800.00 H2S,gas H2S H2S,gas H(2)S(1) HP2011 31.DEC.11 -7918.8 -4851.8 49.180 0.000 11.328872 2.447419 1.472036 -95.076481 1800.00 HCl,gas HCl HCl,gas H(1)Cl(1) RH95 15.Feb.23 -22776.6 -22062.6 44.670 0.00 7.524757 0.862558 0.732371 -28.231181 1800.00 HF,gas HF HF,gas H(1)F(1) RH95 15.Feb.23 -65823.7 -65320.3 41.539 0.0 4.766692 1.323571 -0.282217 36.732227 1800.00 HBr,gas HBr HBr,gas Br(1)H(1) JA85 19.Apr.23 -12789.9 -8710.1 47.490 0.0 8.670579 0.613467 1.059960 -52.776579 1800.00 NaCl,gas NaCl NaCl,gas Cl(1)Na(1) JA85 19.Apr.23 -48120.0 -43359.9 54.922 0.0 9.073386 0.138168 -0.309664 -3.699370 1800.00 KCl,gas KCl KCl,gas Cl(1)K(1) JA85 19.Apr.23 -55790.6 -51310.0 57.143 0.0 8.992145 0.170219 -0.213100 -1.395871 1800.00 FeCl2,gas FeCl2 FeCl2,gas Cl(2)Fe(1) JA85 19.Apr.23 -37183.3 -33700.0 71.530 0.0 12.743725 1.144054 -1.284858 36.483443 1800.00 ZnCl2,gas ZnCl2 ZnCl2,gas Zn(1)Cl(2) KKH91 19.Apr.23 -64765.0 -63881.9 66.229 0.0 14.752623 -0.000570 -1.026311 -0.087456 1800.00 Cd,gas Cd Cd,gas Cd(1) B672 19.Apr.23 18474.9 26729.9 40.066 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 AlF3,gas AlF3 AlF3,gas Al(1)F(3) JA85 19.Apr.23 -285060.9 -289034.9 66.131 0.0 25.399731 -1.097099 -0.730981 -162.315976 1800.00 CuCl,gas CuCl CuCl,gas Cl(1)Cu(1) JA85 19.Apr.23 15178.3 21770.1 56.694 0.0 9.147986 0.068977 -0.360080 -5.826964 1800.00 BiCl3,gas BiCl3 BiCl3,gas Bi(1)Cl(3) B674 19.Apr.23 -60985.9 -63400.1 85.400 0.0 19.395441 0.207554 -0.826587 8.508749 800.00 PbCl2,gas PbCl2 PbCl2,gas Cl(2)Pb(1) JA85 19.Apr.23 -43690.7 -41599.9 75.814 0.0 14.070052 -0.033518 -0.543202 -4.504802 1800.00 H2MoO4,gas O2Mo(OH)2 H2MoO4,gas H(2)Mo(1)O(4) JA85 19.Apr.23 -188153.4 -203400.1 84.995 0.0 46.409727 -0.942546 0.214002 -371.125261 1800.00 H2WO4,gas O2W(OH)2 H2WO4,gas H(2)O(4)W(1) JA85 19.Apr.23 -200706.5 -216500.0 84.130 0.0 48.489199 -1.310544 0.482532 -416.673235 1800.00 AsCl3,gas AsCl3 AsCl3,gas As(1)Cl(3) B674 19.Apr.23 -59417.1 -62500.0 78.130 0.0 21.175011 -0.397364 -1.087313 -31.312982 1000.00 SbCl3,gas SbCl3 SbCl3,gas Sb(1)Cl(3) KKH91 19.Apr.23 -71909.1 -74833.9 81.046 0.0 19.697899 0.165273 -1.235856 -0.224843 1800.00 SbCl3,gasB674 SbCl3 SbCl3,gas Sb(1)Cl(3) B674 26.Apr.23 -72080.0 -75000.0 81.020 0.0 20.428270 -0.142165 -1.071581 -3.484106 1000.00 SiF4,gas SiF4 SiF4,gas F(4)Si(1) JA85 19.Apr.23 -375887.0 -385979.9 67.581 0.0 35.746057 -1.935512 -0.500672 -294.384723 1800.00 MgCl2,gas MgCl2 MgCl2,gas Cl(2)Mg(1) JA85 19.Apr.23 -95316.2 -93800.0 66.211 0.0 15.615747 -0.147033 -0.669734 -20.319270 1800.00 CaCl2,gas CaCl2 CaCl2,gas Ca(1)Cl(2) JA85 19.Apr.23 -114524.1 -112700.0 69.375 0.0 15.108672 -0.042884 -0.518528 -5.787323 1800.00 TiF4,gas TiF4 TiF4,gas F(4)Ti(1) JA85 19.Apr.23 -362148.4 -370800.0 75.270 0.0 30.916484 -1.031431 -1.573145 -146.945583 1800.00 CrCl4,gas CrCl4 CrCl4,gas Cr(1)Cl(4) B674 19.Apr.23 -94498.1 -102000.0 87.068 0.0 27.572835 -0.440782 -1.651804 -45.344869 1300.00 CoCl2,gas CoCl2 CoCl2,gas Cl(2)Co(1) JA85 19.Apr.23 -25631.9 -22400.1 71.343 0.0 17.531961 -0.238717 0.622721 -67.222002 1800.00 NiCl2,gas NiCl2 NiCl2,gas Cl(2)Ni(1) JA85 19.Apr.23 -20611.9 -17669.9 70.323 0.0 18.294489 -0.476692 -0.360393 -66.737316 1800.00 MnCl2,gas MnCl2 MnCl2,gas Mn(1)Cl(2) KKH91 19.Apr.23 -65997.7 -63126.0 70.600 0.0 14.722139 0.113385 -0.978399 -0.084649 1800.00 VCl4,gas VCl4 VCl4,gas V(1)Cl(4) B674 19.Apr.23 -117873.1 -125599.9 87.580 0.0 27.344711 -0.351274 -1.696370 -40.989751 1500.00 SrCl2,gas SrCl2 SrCl2,gas Cl(2)Sr(1) JA85 19.Apr.23 -115777.0 -113099.9 75.607 0.0 14.018002 -0.022691 -0.449907 -3.029007 1800.00 GaCl3,gas GaCl3 GaCl3,gas Ga(1)Cl(3) B674 19.Apr.23 -99570.0 -103150.1 77.686 0.0 20.549865 -0.139210 -1.317976 -19.411249 1800.00 LiCl,gas LiCl LiCl,gas Cl(1)Li(1) JA85 19.Apr.23 -51929.7 -46778.0 50.889 0.0 9.787264 -0.036159 -0.383788 -24.247989 1800.00 RbCl,gas RbCl RbCl,gas Rb(1)Cl(1) B674 19.Apr.23 -59074.1 -54700.0 59.664 0.0 8.958766 0.196310 -0.158524 -0.469426 1800.00 CsCl,gas CsCl CsCl,gas Cl(1)Cs(1) JA85 19.Apr.23 -61631.7 -57400.1 61.202 0.0 8.960402 0.181647 -0.136806 -0.503449 1800.00 H2Se,gas H2Se H2Se,gas H(2)Se(1) B677 19.Apr.23 -7262.9 -9650.1 52.300 0.0 7.552163 3.509820 -0.328111 0.907942 1800.00 H2Te,gas H2Te H2Te,gas H(2)Te(1) B677 19.Apr.23 6854.0 4635.0 54.700 0.0 8.455242 2.884474 -0.758298 0.677623 1800.00 N2,gas N2 N2,gas N(2) RH95 15.Feb.23 0.0 0.0 45.796 0.0 9.204132 0.434242 1.080779 -61.818736 1800.00 SnCl2,gas SnCl2 SnCl2,gas Sn(1)Cl(2) B674 19.Apr23 -49560.9 -47310.0 73.075 0.0 14.118366 -0.043145 -0.628013 -5.905369 1800.00 AgCl,gas AgCl AgCl,gas Ag(1)Cl(1) KKH91 19.Apr.23 14715.1 21268.9 58.810 0.0 8.925055 0.003897 -0.347194 0.364682 1800.00 Au,gas Au Au,gas Au(1) B672 19.Apr.23 78022.9 87500.0 43.116 0.0 3.472678 0.515340 -0.467346 32.130289 1800.00 Hg,gas Hg Hg,gas Hg(1) JA85 19.Apr.23 7619.5 14670.2 41.819 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Ir,gas Ir Ir,gas Ir(1) B672 19.Apr.23 147742.1 159000.0 46.241 0.0 4.895408 1.228113 0.661983 -17.678969 1800.00 CO,gas CO CO,gas C(1)O(1) HP2011 31.DEC.11 -32784.7 -26417.3 47.244 0.000 10.922562 -0.023184 1.583891 -99.115678 1800.00 CH4,gas CH4 CH4,gas C(1)H(4) HP2011 31.DEC.11 -12119.4 -17880.0 44.517 0.000 35.874761 0.493069 8.192399 -633.460801 1800.00 O2,gas O2 O2,gas O(2) HP2011 31.DEC.11 -3.6 0.0 49.044 0.000 11.543977 -0.165153 1.193117 -100.549713 1800.00 S2,gas S2 S2,gas S(2) HP2011 31.DEC.11 18828.6 30721.8 55.210 0.000 8.867113 0.573136 -0.384799 -15.535373 1800.00 SO2,gas SO2 SO2,gas S(1)O(2) RH95 15.Feb.23 -71725.6 -70936.9 59.321 0.0 20.714237 -1.104844 1.372744 -214.282521 1800.00 SO3,gas SO3 SO3,gas S(1)O(3) RH95 15.Feb.23 -88671.1 -94574.6 61.377 0.0 30.803830 -1.953896 1.574237 -343.617659 1800.00 NO2,gas NO2 NO2,gas N(1)O(2) RH95 15.Feb.23 12237.1 7911.1 57.385 0.0 21.946330 -1.315312 2.382553 -265.831239 1800.00 Al,gas Al Al Al(1) JA85 02.May.23 69088.9 78800.0 39.329 0.0 4.974521 -0.001207 0.133678 -0.209956 1800.00 AlBO2,gas AlBO2 AlBO2 Al(1)B(1)O(2) JA85 02.May.23 -131560.0 -129400.1 64.428 0.0 27.754173 -1.264417 0.595961 -266.392169 1800.00 AlBr,gas AlBr AlBr Al(1)Br(1) JA85 02.May.23 -5837.0 3800.0 57.270 0.0 9.091321 0.085057 -0.324750 -4.210281 1800.00 AlBr3,gas AlBr3 AlBr3 Al(1)Br(3) JA85 02.May.23 -104716.8 -98099.9 83.518 0.0 20.732254 -0.178867 -1.114879 -24.443372 1800.00 AlCl,gas AlCl AlCl Al(1)Cl(1) JA85 02.May.23 -18581.0 -12300.0 54.483 0.0 9.285876 0.039960 -0.401380 -9.750668 1800.00 AlClF,gas AlClF AlClF Al(1)Cl(1)F(1) JA85 02.May.23 -119970.6 -117000.0 67.614 0.0 15.773778 -0.379927 -0.797740 -53.687401 1800.00 AlClF2,gas AlClF2 AlClF2 Al(1)Cl(1)F(2) JA85 02.May.23 -235610.2 -238800.0 71.185 0.0 24.009036 -0.828655 -1.022212 -120.707966 1800.00 OAlCl,gas OAlCl OAlCl Al(1)Cl(1)O(1) JA85 02.May.23 -83666.1 -83200.0 59.496 0.0 17.422562 -0.504308 -0.943470 -73.508029 1800.00 AlCl2,gas AlCl2 AlCl2 Al(1)Cl(2) JA85 02.May.23 -69712.5 -67000.0 69.173 0.0 14.749021 -0.173789 -0.870144 -23.882427 1800.00 AlCl2F,gas AlCl2F AlCl2F Al(1)Cl(2)F(1) JA85 02.May.23 -186053.8 -189000.0 74.427 0.0 22.726172 -0.577618 -1.188911 -82.671194 1800.00 AlCl3,gas AlCl3 AlCl3 Al(1)Cl(3) JA85 02.May.23 -136271.0 -139719.9 75.166 0.0 21.503410 -0.336543 -1.364804 -46.617917 1800.00 AlF,gas AlF AlF Al(1)F(1) JA85 02.May.23 -69591.8 -63500.0 51.424 0.0 10.395474 -0.195723 -0.210832 -42.693703 1800.00 OAlF,gas OAlF OAlF Al(1)F(1)O(1) JA85 02.May.23 -139361.4 -139000.0 56.720 0.0 18.779348 -0.765431 -0.682703 -114.198756 1800.00 AlF2,gas AlF2 AlF2 Al(1)F(2) JA85 02.May.23 -168361.9 -166000.0 63.147 0.0 17.106065 -0.640806 -0.511841 -93.162453 1800.00 OAlF2,gas OAlF2 OAlF2 Al(1)F(2)O(1) JA85 02.May.23 -262083.2 -265000.0 69.958 0.0 24.588969 -0.899054 -0.956597 -140.214634 1800.00 LiAlF4,gas LiAlF4 LiAlF4 Al(1)F(4)Li(1) JA85 02.May.23 -433277.2 -443000.0 78.035 0.0 38.239509 -1.303284 -2.862357 -186.767947 1800.00 NaAlF4,gas NaAlF4 NaAlF4 Al(1)F(4)Na(1) JA85 02.May.23 -429994.3 -440000.0 82.432 0.0 37.515283 -1.155278 -2.441743 -165.931120 1800.00 AlH,gas AlH AlH Al(1)H(1) JA85 02.May.23 55283.9 62000.0 44.901 0.0 12.356928 -0.334846 1.564594 -120.665876 1800.00 OAlH,gas OAlH OAlH Al(1)H(1)O(1) JA85 02.May.23 6641.3 8000.0 51.447 0.0 25.333644 -1.885553 2.108342 -326.364340 1800.00 AlOH,gas AlOH AlOH Al(1)H(1)O(1) JA85 02.May.23 -44442.4 -43000.0 51.728 0.0 20.674120 -0.524826 2.280453 -266.967595 1800.00 OAlOH,gas OAlOH OAlOH Al(1)H(1)O(2) JA85 02.May.23 -106838.2 -110000.0 60.801 0.0 24.510245 -0.370378 0.368471 -221.765736 1800.00 AlI,gas AlI AlI Al(1)I(1) JA85 02.May.23 4732.8 16240.0 59.233 0.0 9.020378 0.104848 -0.258205 -2.196676 1800.00 AlI3,gas AlI3 AlI3 Al(1)I(3) JA85 02.May.23 -58394.6 -46200.0 89.296 0.0 20.433696 -0.117300 -0.941052 -15.910776 1800.00 AlN,gas AlN AlN Al(1)N(1) JA85 02.May.23 117555.2 125000.0 54.625 0.0 10.224571 -0.143607 -0.268666 -37.136844 1800.00 AlO,gas AlO AlO Al(1)O(1) JA85 02.May.23 9762.2 16000.0 52.196 0.0 4.641319 2.450753 -1.422655 62.062876 1800.00 AlO2,gas AlO2 AlO2 Al(1)O(2) JA85 02.May.23 -21911.8 -20599.9 60.189 0.0 18.171249 -0.649858 -0.466724 -95.725773 1800.00 AlS,gas AlS AlS Al(1)S(1) JA85 02.May.23 44866.6 57000.0 55.115 0.0 4.545600 2.740780 -1.209163 68.803258 1800.00 Al2,gas Al2 Al2 Al(2) JA85 02.May.23 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 Al(2)Br(6) JA85 02.May.23 -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 Al(2)Cl(6) JA85 02.May.23 -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 Al(2)F(6) JA85 02.May.23 -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 Al(2)I(6) JA85 02.May.23 -130710.6 -117000.0 142.777 0.0 44.393983 -0.141741 -1.914985 -19.079957 1800.00 Al2O,gas Al2O Al2O Al(2)O(1) JA85 02.May.23 -41342.0 -34700.0 60.309 0.0 17.682484 -0.545122 -0.295094 -82.249908 1800.00 (AlO)2,gas (AlO)2 (AlO)2 Al(2)O(2) JA85 02.May.23 -95674.0 -94300.0 67.156 0.0 22.153664 -0.471065 -1.957807 -65.157058 1800.00 B,gas B B B(1) JA85 02.May.23 123325.3 133843.2 36.672 0.0 4.968671 -0.000270 0.002250 -0.013024 1800.00 BeBO2,gas BeBO2 BeBO2 B(1)Be(1)O(2) JA85 02.May.23 -118404.9 -115200.0 63.431 0.0 29.138052 -1.533342 0.988089 -307.601579 1800.00 BBr,gas BBr BBr B(1)Br(1) JA85 02.May.23 45805.7 56000.0 53.776 0.0 9.980766 -0.117090 -0.340414 -29.915411 1800.00 BBrCl,gas BBrCl BBrCl B(1)Br(1)Cl(1) JA85 02.May.23 -9309.3 -2500.0 69.081 0.0 16.890163 -0.596020 -0.436357 -87.024102 1800.00 BBrCl2,gas BBrCl2 BBrCl2 B(1)Br(1)Cl(2) JA85 02.May.23 -80883.6 -80500.0 74.187 0.0 24.576920 -0.933014 -0.820177 -138.243957 1800.00 BBrF,gas BBrF BBrF B(1)Br(1)F(1) JA85 02.May.23 -64087.0 -57500.0 65.911 0.0 18.821859 -0.945263 0.339824 -147.309927 1800.00 BBrF2,gas BBrF2 BBrF2 B(1)Br(1)F(2) JA85 02.May.23 -196118.3 -196000.0 68.448 0.0 28.295182 -1.532359 0.737239 -262.319461 1800.00 OBBr,gas OBBr OBBr B(1)Br(1)O(1) JA85 02.May.23 -64588.0 -60000.0 59.487 0.0 18.757860 -0.537766 0.569604 -138.865494 1800.00 BBr2,gas BBr2 BBr2 B(1)Br(2) JA85 02.May.23 5264.3 15000.0 70.426 0.0 16.301948 -0.483108 -0.593956 -69.362746 1800.00 BBr2Cl,gas BBr2Cl BBr2Cl B(1)Br(2)Cl(1) JA85 02.May.23 -68727.5 -65000.0 76.933 0.0 24.034149 -0.829741 -0.861485 -121.847149 1800.00 BBr2F,gas BBr2F BBr2F B(1)Br(2)F(1) JA85 02.May.23 -126602.8 -123000.0 74.090 0.0 25.837430 -1.120712 -0.079893 -181.932994 1800.00 BHBr2,gas BHBr2 BHBr2 B(1)Br(2)H(1) JA85 02.May.23 -29908.7 -25000.0 69.853 0.0 25.609341 -0.673392 0.504541 -228.847998 1800.00 BBr3,gas BBr3 BBr3 B(1)Br(3) JA85 02.May.23 -55225.1 -48800.0 77.511 0.0 23.424659 -0.713897 -0.927126 -103.422098 1800.00 BCl,gas BCl BCl B(1)Cl(1) JA85 02.May.23 26968.2 33800.0 50.967 0.0 10.674385 -0.252130 -0.096440 -50.636131 1800.00 BClF,gas BClF BClF B(1)Cl(1)F(1) JA85 02.May.23 -78269.6 -75000.0 63.253 0.0 19.395993 -1.039304 0.620263 -166.294426 1800.00 BClF2,gas BClF2 BClF2 B(1)Cl(1)F(2) JA85 02.May.23 -208369.5 -211599.9 65.686 0.0 28.928294 -1.651236 0.778323 -281.659049 1800.00 OBCl,gas OBCl OBCl B(1)Cl(1)O(1) JA85 02.May.23 -76844.9 -75599.9 56.744 0.0 19.211409 -0.611912 0.597869 -154.196840 1800.00 BCl2,gas BCl2 BCl2 B(1)Cl(2) JA85 02.May.23 -22118.5 -19000.0 65.171 0.0 16.092729 -0.422822 -0.843687 -64.050376 1800.00 BCl2F,gas BCl2F BCl2F B(1)Cl(2)F(1) JA85 02.May.23 -150962.0 -154000.0 68.756 0.0 26.954632 -1.332205 0.033753 -215.823243 1800.00 BHCl2,gas BHCl2 BHCl2 B(1)Cl(2)H(1) JA85 02.May.23 -57448.6 -59300.0 64.119 0.0 27.177577 -0.972075 0.866412 -276.371283 1800.00 BCl3,gas BCl3 BCl3 B(1)Cl(3) JA85 02.May.23 -92726.8 -96310.0 69.352 0.0 25.396427 -1.086018 -0.645229 -163.312807 1800.00 BF,gas BF BF B(1)F(1) JA85 02.May.23 -34344.9 -27700.0 47.916 0.0 12.481756 -0.532286 1.222676 -114.420758 1800.00 OBF,gas OBF OBF B(1)F(1)O(1) JA85 02.May.23 -145069.1 -144000.0 53.729 0.0 21.093177 -0.948091 1.216043 -213.722017 1800.00 BF2,gas BF2 BF2 B(1)F(2) JA85 02.May.23 -143745.9 -141000.0 59.072 0.0 20.324304 -1.207350 0.903298 -195.199144 1800.00 BHF2,gas BHF2 BHF2 B(1)F(2)H(1) JA85 02.May.23 -173267.0 -175400.1 58.324 0.0 31.799945 -1.725124 3.329823 -430.126059 1800.00 BF2OH,gas BF2OH BF2OH B(1)F(2)H(1)O(1) JA85 02.May.23 -251349.4 -259000.0 64.334 0.0 39.624267 -1.955930 3.182807 -521.764015 1800.00 OBF2,gas OBF2 OBF2 B(1)F(2)O(1) JA85 02.May.23 -196910.6 -200000.0 64.016 0.0 30.618440 -2.029095 0.772467 -326.633227 1800.00 BF3,gas BF3 BF3 B(1)F(3) JA85 02.May.23 -267453.4 -271419.9 60.792 0.0 30.730229 -1.934846 1.543104 -342.730255 1800.00 KBF4,gas KBF4 KBF4 B(1)F(4)K(1) JA85 02.May.23 -359549.2 -371000.0 75.381 0.0 44.766031 -2.383986 0.370986 -401.355833 1800.00 BH,gas BH BH B(1)H(1) JA85 02.May.23 98626.0 105800.0 41.073 0.0 9.977758 0.339976 1.394600 -80.278937 1800.00 HBO,gas HBO HBO B(1)H(1)O(1) JA85 02.May.23 -49457.2 -47400.1 48.427 0.0 19.424698 -0.175360 1.911224 -225.726551 1800.00 HBO2,gas HBO2 HBO2 B(1)H(1)O(2) JA85 02.May.23 -131392.9 -134000.0 57.298 0.0 27.081560 -0.504537 2.910836 -347.054477 1800.00 HBS,gas HBS HBS B(1)H(1)S(1) JA85 02.May.23 4037.8 12000.0 51.378 0.0 19.379563 -0.381558 0.921917 -198.702503 1800.00 BH2,gas BH2 BH2 B(1)H(2) JA85 02.May.23 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 B(1)H(2)O(2) JA85 02.May.23 -107011.5 -114000.0 58.219 0.0 37.776247 -1.296832 3.169932 -492.433870 1800.00 BH3,gas BH3 BH3 B(1)H(3) JA85 02.May.23 26495.9 25500.0 44.903 0.0 24.751480 0.894104 5.472912 -387.388728 1800.00 H3BO3,gas H3BO3 H3BO3 B(1)H(3)O(3) JA85 02.May.23 -221886.5 -237159.9 70.563 0.0 47.278395 -0.668094 4.328282 -627.186736 1800.00 BI,gas BI BI B(1)I(1) JA85 02.May.23 60968.2 73000.0 55.629 0.0 9.638229 -0.039753 -0.406319 -19.912727 1800.00 BI2,gas BI2 BI2 B(1)I(2) JA85 02.May.23 44632.9 58000.0 73.987 0.0 15.852970 -0.395185 -0.683109 -56.063696 1800.00 BI3,gas BI3 BI3 B(1)I(3) JA85 02.May.23 4980.4 17000.0 83.346 0.0 22.261088 -0.487317 -1.089691 -68.821156 1800.00 KBO2,gas KBO2 KBO2 B(1)K(1)O(2) JA85 02.May.23 -162650.3 -161099.9 71.082 0.0 26.505660 -1.016340 1.054833 -229.308380 1800.00 LiBO2,gas LiBO2 LiBO2 B(1)Li(1)O(2) JA85 02.May.23 -157070.0 -154599.9 65.661 0.0 26.710081 -1.049072 0.865538 -236.361574 1800.00 BN,gas BN BN B(1)N(1) JA85 02.May.23 106110.2 114000.0 50.755 0.0 12.233551 -0.404224 1.313956 -113.115678 1800.00 NaBO2,gas NaBO2 NaBO2 B(1)Na(1)O(2) JA85 02.May.23 -156768.2 -155000.0 68.654 0.0 26.560598 -1.024495 0.941141 -231.288032 1800.00 BO,gas BO BO B(1)O(1) JA85 02.May.23 -6774.1 0.0 48.631 0.0 11.732306 -0.244956 1.634036 -112.286457 1800.00 BO2,gas BO2 BO2 B(1)O(2) JA85 02.May.23 -69342.0 -68000.0 54.927 0.0 21.573786 -1.236883 0.888790 -205.080329 1800.00 BS,gas BS BS B(1)S(1) JA85 02.May.23 45394.4 58099.9 51.671 0.0 12.072593 -0.522512 0.745018 -96.337058 1800.00 B2,gas B2 B2 B(2) JA85 02.May.23 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 B(2)Be(1)O(4) JA85 02.May.23 -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 B(2)Cl(4) JA85 02.May.23 -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 B(2)F(4) JA85 02.May.23 -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 B(2)F(4)O(1) JA85 02.May.23 -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 B(2)H(4)O(4) JA85 02.May.23 -283171.4 -307000.0 83.396 0.0 75.076343 -1.677597 4.247437 -943.576917 1800.00 B2H6,gas B2H6 B2H6 B(2)H(6) JA85 02.May.23 21952.4 9800.0 55.729 0.0 74.422178 -3.169842 12.055173 -1261.671152 1800.00 B2O,gas B2O B2O B(2)O(1) JA85 02.May.23 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 B(2)O(2) JA85 02.May.23 -110837.2 -109000.0 57.982 0.0 27.512044 -0.733196 1.495421 -263.424340 1800.00 B2O3,gas B2O3 B2O3 B(2)O(3) JA85 02.May.23 -197261.7 -199800.0 67.822 0.0 35.857185 -1.295036 2.027062 -375.603417 1800.00 B3O3Cl3,gas B3O3Cl3 B3O3Cl3 B(3)Cl(3)O(3) JA85 02.May.23 -370228.0 -390000.0 91.391 0.0 72.460036 -4.374421 -0.139453 -684.507357 1800.00 B3H2O3F,gas B3H2O3F B3H2O3F B(3)F(1)H(2)O(3) JA85 02.May.23 -364722.8 -382000.0 75.249 0.0 83.790427 -5.318222 7.431370 -1170.821992 1800.00 B3HO3F2,gas B3HO3F2 B3HO3F2 B(3)F(2)H(1)O(3) JA85 02.May.23 -456162.0 -475000.0 78.631 0.0 83.739369 -5.822986 5.911526 -1104.068034 1800.00 B3O3F3,gas B3O3F3 B3O3F3 B(3)F(3)O(3) JA85 02.May.23 -544851.8 -565300.0 81.848 0.0 80.795557 -5.675945 3.864583 -967.361301 1800.00 B3H3O3,gas B3H3O3 B3H3O3 B(3)H(3)O(3) JA85 02.May.23 -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 B(3)H(3)O(6) JA85 02.May.23 -508696.0 -543000.0 83.071 0.0 93.490562 -3.498211 -0.361009 -1024.470821 1800.00 B3H6N3,gas B3H6N3 B3H6N3 B(3)H(6)N(3) JA85 02.May.23 -92809.5 -121900.1 69.006 0.0 104.129114 -3.630929 9.984935 -1572.916711 1800.00 B5H9,gas B5H9 B5H9 B(5)H(9) JA85 02.May.23 41857.8 17500.0 65.825 0.0 147.161068 -9.097771 20.885846 -2511.401519 1800.00 B10H14,gas B10H14 B10H14 B(10)H(14) JA85 02.May.23 55547.8 11300.0 84.168 0.0 249.916945 -15.781427 26.705835 -4011.404828 1800.00 Ba,gas Ba Ba Ba(1) JA85 02.May.23 35120.5 42800.0 40.690 0.0 -1.837174 2.423808 -2.037461 143.795088 1800.00 BaBr,gas BaBr BaBr Ba(1)Br(1) JA85 02.May.23 -35824.1 -26430.9 64.626 0.0 8.840277 0.163322 -0.150754 2.105028 1800.00 BaBr2,gas BaBr2 BaBr2 Ba(1)Br(2) JA85 02.May.23 -110577.4 -101500.0 81.756 0.0 13.936219 -0.005490 -0.233187 -0.728519 1800.00 BaCl,gas BaCl BaCl Ba(1)Cl(1) JA85 02.May.23 -40030.6 -34000.0 61.817 0.0 8.534643 0.278504 -0.351686 8.334412 1800.00 BaCl2,gas BaCl2 BaCl2 Ba(1)Cl(2) JA85 02.May.23 -122063.3 -119200.0 77.853 0.0 13.984843 -0.015639 -0.388154 -2.099937 1800.00 BaF,gas BaF BaF Ba(1)F(1) JA85 02.May.23 -82868.8 -77000.0 58.850 0.0 9.073278 0.096300 -0.453387 -5.018586 1800.00 BaF2,gas BaF2 BaF2 Ba(1)F(2) JA85 02.May.23 -194667.5 -192099.9 72.012 0.0 14.282663 -0.077934 -0.710178 -10.525701 1800.00 BaOH,gas BaOH BaOH Ba(1)H(1)O(1) JA85 02.May.23 -55724.2 -54120.5 60.443 0.0 11.849474 1.096375 -1.303213 6.393967 1800.00 Ba(OH)2,gas Ba(OH)2 Ba(OH)2 Ba(1)H(2)O(2) JA85 02.May.23 -143817.2 -149751.9 75.291 0.0 19.882620 2.101405 -2.392101 11.291506 1800.00 BaI,gas BaI BaI Ba(1)I(1) JA85 02.May.23 -21410.6 -10137.9 66.620 0.0 8.943105 0.136521 -0.075974 -0.039781 1800.00 BaI2,gas BaI2 BaI2 Ba(1)I(2) JA85 02.May.23 -84479.9 -72400.1 83.207 0.0 13.922627 -0.002673 -0.149488 -0.340723 1800.00 BaO,gas BaO BaO Ba(1)O(1) JA85 02.May.23 -34617.4 -29599.9 56.276 0.0 9.688650 -0.070445 -0.434243 -22.802814 1800.00 BaS,gas BaS BaS Ba(1)S(1) JA85 02.May.23 -1967.5 9030.1 59.479 0.0 8.254152 0.321162 -0.597278 13.975851 1800.00 Be,gas Be Be Be(1) JA85 02.May.23 68399.6 77437.9 32.570 0.0 4.966906 0.000347 -0.000353 0.023321 1800.00 BeBr,gas BeBr BeBr Be(1)Br(1) JA85 02.May.23 18517.4 28707.0 54.621 0.0 10.088500 -0.125433 -0.310886 -33.100266 1800.00 BeBr2,gas BeBr2 BeBr2 Be(1)Br(2) JA85 02.May.23 -62799.7 -54800.0 65.466 0.0 17.479711 -0.500435 -0.135446 -76.753042 1800.00 BeCl,gas BeCl BeCl Be(1)Cl(1) JA85 02.May.23 7613.8 14500.0 52.011 0.0 10.682380 -0.258518 -0.092669 -50.882408 1800.00 BeClF,gas BeClF BeClF Be(1)Cl(1)F(1) JA85 02.May.23 -138718.2 -137000.0 58.912 0.0 18.804485 -0.710663 0.209516 -121.306633 1800.00 BeCl2,gas BeCl2 BeCl2 Be(1)Cl(2) JA85 02.May.23 -87504.8 -86099.9 60.285 0.0 18.015421 -0.592739 -0.061030 -93.958642 1800.00 BeF,gas BeF BeF Be(1)F(1) JA85 02.May.23 -47363.8 -40599.9 49.176 0.0 12.277624 -0.524015 0.928109 -104.132925 1800.00 BeF2,gas BeF2 BeF2 Be(1)F(2) JA85 02.May.23 -191342.3 -190250.0 54.387 0.0 19.630866 -0.808159 0.489380 -153.027138 1800.00 LiBeF3,gas LiBeF3 LiBeF3 Be(1)F(3)Li(1) JA85 02.May.23 -206634.8 -212000.0 63.915 0.0 39.092909 -2.525343 -0.494049 -401.133363 1800.00 BeH,gas BeH BeH Be(1)H(1) JA85 02.May.23 69496.4 76767.9 42.261 0.0 11.250899 0.000027 1.613350 -104.659591 1800.00 BeOH,gas BeOH BeOH Be(1)H(1)O(1) JA85 02.May.23 -29697.4 -27400.1 50.094 0.0 16.067206 0.285011 0.048982 -121.794820 1800.00 BeH2,gas BeH2 BeH2 Be(1)H(2) JA85 02.May.23 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 Be(1)H(2)O(2) JA85 02.May.23 -153768.9 -161700.0 55.920 0.0 27.168058 0.975101 -1.316838 -186.908160 1800.00 BeI,gas BeI BeI Be(1)I(1) JA85 02.May.23 28536.6 40635.3 56.715 0.0 9.678296 -0.031300 -0.401974 -21.079950 1800.00 BeI2,gas BeI2 BeI2 Be(1)I(2) JA85 02.May.23 -27125.0 -15300.0 69.676 0.0 16.814627 -0.380302 -0.299433 -55.990082 1800.00 BeN,gas BeN BeN Be(1)N(1) JA85 02.May.23 94604.0 101980.9 49.897 0.0 12.080502 -0.478638 0.746234 -96.565163 1800.00 BeO,gas BeO BeO Be(1)O(1) JA85 02.May.23 26499.3 32599.9 47.234 0.0 3.586254 2.669681 -1.333292 71.310607 1800.00 BeS,gas BeS BeS Be(1)S(1) JA85 02.May.23 50972.0 63000.0 50.260 0.0 -4.864042 5.735628 -4.339401 264.869713 1800.00 Be2,gas Be2 Be2 Be(2) JA85 02.May.23 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 Be(2)Cl(4) JA85 02.May.23 -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 Be(2)F(2)O(1) JA85 02.May.23 -286095.1 -287900.1 71.442 0.0 35.679322 -1.790311 0.714730 -306.809840 1800.00 Be2O,gas Be2O Be2O Be(2)O(1) JA85 02.May.23 -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 Be(2)O(2) JA85 02.May.23 -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 Be(3)O(3) JA85 02.May.23 -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 Be(4)O(4) JA85 02.May.23 -370305.9 -380000.0 72.317 0.0 74.667977 -5.901418 2.197414 -934.406473 1800.00 (BeO)5,gas (BeO)5 (BeO)5 Be(5)O(5) JA85 02.May.23 -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 Be(6)O(6) JA85 02.May.23 -612563.3 -636000.0 82.025 0.0 115.664824 -9.225296 1.919947 -1446.642881 1800.00 Br,gas Br Br Br(1) JA85 02.May.23 19686.7 26735.2 41.830 0.0 4.549961 0.434881 0.064245 3.844746 1800.00 CaBr,gas CaBr CaBr Br(1)Ca(1) JA85 02.May.23 -21440.5 -11805.9 60.443 0.0 8.978946 0.119369 -0.225482 -1.142904 1800.00 BrCl,gas BrCl BrCl Br(1)Cl(1) JA85 02.May.23 -231.1 3500.0 57.362 0.0 9.202881 0.045539 -0.380371 -7.386449 1800.00 BrF,gas BrF BrF Br(1)F(1) JA85 02.May.23 -17640.8 -13973.0 54.724 0.0 9.913572 -0.070800 -0.358886 -27.938438 1800.00 BrF3,gas BrF3 BrF3 Br(1)F(3) JA85 02.May.23 -54823.9 -61087.0 69.885 0.0 22.351927 -0.510976 -1.969390 -70.920639 1800.00 BrF5,gas BrF5 BrF5 Br(1)F(5) JA85 02.May.23 -83981.6 -102466.1 77.362 0.0 36.431035 -0.955276 -3.789726 -132.564812 1800.00 SBrF5,gas SBrF5 SBrF5 Br(1)F(5)S(1) JA85 02.May.23 -212451.5 -232510.0 79.744 0.0 48.308547 -2.133194 -3.933490 -305.884882 1800.00 SiH3Br,gas SiH3Br SiH3Br Br(1)H(3)Si(1) JA85 02.May.23 -16670.9 -18700.0 62.731 0.0 38.771058 -1.454092 3.628327 -513.765876 1800.00 HgBr,gas HgBr HgBr Br(1)Hg(1) JA85 02.May.23 16391.3 24900.1 64.899 0.0 8.952245 0.268478 -0.109176 -0.279980 1800.00 IBr,gas IBr IBr Br(1)I(1) JA85 02.May.23 878.3 9770.1 61.891 0.0 8.545128 0.285481 -0.336112 8.206154 1800.00 KBr,gas KBr KBr Br(1)K(1) JA85 02.May.23 -50861.4 -43039.9 59.879 0.0 8.961708 0.184434 -0.142967 -0.542917 1800.00 LiBr,gas LiBr LiBr Br(1)Li(1) JA85 02.May.23 -45291.1 -36800.0 53.620 0.0 9.515200 0.034204 -0.415776 -16.348105 1800.00 MgBr,gas MgBr MgBr Br(1)Mg(1) JA85 02.May.23 -18150.6 -8446.9 58.543 0.0 9.084548 0.086217 -0.320446 -4.022921 1800.00 MoBr,gas MoBr MoBr Br(1)Mo(1) JA85 02.May.23 97555.4 109300.0 64.418 0.0 8.679854 0.186155 -0.340880 5.186465 1800.00 NBr,gas NBr NBr Br(1)N(1) JA85 02.May.23 67352.8 71882.9 56.282 0.0 10.020334 -0.109362 -0.329989 -31.083217 1800.00 ONBr,gas ONBr ONBr Br(1)N(1)O(1) JA85 02.May.23 19698.1 19630.0 65.374 0.0 17.501471 -0.482712 1.008229 -131.457134 1800.00 NaBr,gas NaBr NaBr Br(1)Na(1) JA85 02.May.23 -42499.3 -34400.1 57.652 0.0 9.008076 0.172527 -0.241122 -1.854837 1800.00 PBr,gas PBr PBr Br(1)P(1) JA85 02.May.23 29454.6 38862.6 59.561 0.0 9.125853 0.071574 -0.345568 -5.188214 1800.00 PbBr,gas PbBr PbBr Br(1)Pb(1) JA85 02.May.23 7574.6 16951.0 65.122 0.0 8.254924 0.382627 -0.334894 14.291209 1800.00 SiBr,gas SiBr SiBr Br(1)Si(1) JA85 02.May.23 45377.4 56244.0 59.134 0.0 7.712435 0.381274 -0.608335 36.576141 1800.00 SrBr,gas SrBr SrBr Br(1)Sr(1) JA85 02.May.23 -30702.9 -21300.0 63.038 0.0 8.926803 0.133977 -0.151685 0.213413 1800.00 TiBr,gas TiBr TiBr Br(1)Ti(1) JA85 02.May.23 39869.7 50800.0 62.201 0.0 12.137611 -0.360477 -0.628569 -39.053402 1800.00 WBr,gas WBr WBr Br(1)W(1) JA85 02.May.23 128423.8 140099.9 65.157 0.0 7.851083 0.584740 -0.534354 20.443368 1800.00 ZrBr,gas ZrBr ZrBr Br(1)Zr(1) JA85 02.May.23 61269.4 72000.0 63.470 0.0 9.522059 0.790543 0.400021 -27.042044 1800.00 Br2,gas Br2 Br2 Br(2) JA85 02.May.23 747.1 7387.7 58.651 0.0 8.619708 0.260470 -0.380179 5.908874 1800.00 CaBr2,gas CaBr2 CaBr2 Br(2)Ca(1) JA85 02.May.23 -100619.3 -92000.0 75.228 0.0 14.998679 -0.019894 -0.360760 -2.672964 1800.00 FeBr2,gas FeBr2 FeBr2 Br(2)Fe(1) JA85 02.May.23 -21147.0 -9900.1 80.631 0.0 12.404624 1.246857 -0.831345 45.801237 1800.00 SiH2Br2,gas SiH2Br2 SiH2Br2 Br(2)H(2)Si(1) JA85 02.May.23 -46094.6 -45500.0 74.104 0.0 34.751995 -1.033440 1.384740 -350.880271 1800.00 HgBr2,gas HgBr2 HgBr2 Br(2)Hg(1) JA85 02.May.23 -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 Br(2)K(2) JA85 02.May.23 -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 Br(2)Li(2) JA85 02.May.23 -127122.1 -119700.0 75.175 0.0 20.371245 -0.104794 -1.414103 -14.090080 1800.00 MgBr2,gas MgBr2 MgBr2 Br(2)Mg(1) JA85 02.May.23 -80677.6 -72400.1 71.950 0.0 15.281160 -0.078602 -0.540715 -10.704147 1800.00 MoBr2,gas MoBr2 MoBr2 Br(2)Mo(1) JA85 02.May.23 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 Br(2)Na(2) JA85 02.May.23 -122926.4 -116240.0 83.401 0.0 19.934154 -0.013061 -0.604319 -1.752987 1800.00 PbBr2,gas PbBr2 PbBr2 Br(2)Pb(1) JA85 02.May.23 -33671.8 -24950.0 81.115 0.0 13.937098 -0.005642 -0.256298 -0.752823 1800.00 SiBr2,gas SiBr2 SiBr2 Br(2)Si(1) JA85 02.May.23 -22062.9 -12500.0 72.951 0.0 14.278346 -0.076927 -0.743062 -10.408629 1800.00 SrBr2,gas SrBr2 SrBr2 Br(2)Sr(1) JA85 02.May.23 -105531.5 -97300.0 77.298 0.0 14.948385 -0.009390 -0.283591 -1.250292 1800.00 TiBr2,gas TiBr2 TiBr2 Br(2)Ti(1) JA85 02.May.23 -51758.6 -42800.0 73.777 0.0 12.413635 0.964386 -1.155807 50.606544 1800.00 ZrBr2,gas ZrBr2 ZrBr2 Br(2)Zr(1) JA85 02.May.23 -50657.5 -41700.0 75.712 0.0 12.357632 0.976072 -1.050254 52.189290 1800.00 SiHBr3,gas SiHBr3 SiHBr3 Br(3)H(1)Si(1) JA85 02.May.23 -74935.5 -72400.1 83.186 0.0 30.856046 -0.633962 -0.306314 -191.698705 1800.00 MoBr3,gas MoBr3 MoBr3 Br(3)Mo(1) JA85 02.May.23 -10414.0 -2000.0 89.625 0.0 19.364378 0.823131 -0.337953 -0.534544 1800.00 POBr3,gas POBr3 POBr3 Br(3)O(1)P(1) JA85 02.May.23 -96177.3 -97041.6 86.002 0.0 30.099972 -0.797793 -0.744547 -130.511534 1800.00 PBr3,gas PBr3 PBr3 Br(3)P(1) JA85 02.May.23 -40518.6 -34900.1 83.230 0.0 20.393500 -0.109300 -1.190509 -14.734889 1800.00 PSBr3,gas PSBr3 PSBr3 Br(3)P(1)S(1) JA85 02.May.23 -72259.8 -67173.0 89.108 0.0 27.600446 -0.362948 -1.671627 -50.648337 1800.00 SiBr3,gas SiBr3 SiBr3 Br(3)Si(1) JA85 02.May.23 -55663.0 -48206.0 84.076 0.0 20.712922 -0.175299 -1.298679 -23.851421 1800.00 TiBr3,gas TiBr3 TiBr3 Br(3)Ti(1) JA85 02.May.23 -96725.6 -89599.9 85.818 0.0 20.089047 -0.055239 -2.282143 24.896904 1800.00 ZrBr3,gas ZrBr3 ZrBr3 Br(3)Zr(1) JA85 02.May.23 -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 Br(4)Fe(2) JA85 02.May.23 -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 Br(4)Mg(2) JA85 02.May.23 -190026.8 -183500.0 110.265 0.0 31.863794 -0.014464 -0.811663 -1.935394 1800.00 MoBr4,gas MoBr4 MoBr4 Br(4)Mo(1) JA85 02.May.23 -47019.1 -40900.1 100.117 0.0 26.009655 -0.031698 -0.986005 -5.237089 1800.00 PbBr4,gas PbBr4 PbBr4 Br(4)Pb(1) JA85 02.May.23 -113135.0 -109072.9 101.864 0.0 25.922125 -0.018825 -0.680899 -2.484492 1800.00 SiBr4,gas SiBr4 SiBr4 Br(4)Si(1) JA85 02.May.23 -103300.0 -99300.0 90.670 0.0 27.006329 -0.244029 -1.624660 -33.303141 1800.00 TiBr4,gas TiBr4 TiBr4 Br(4)Ti(1) JA85 02.May.23 -136019.8 -131500.0 95.268 0.0 26.325886 -0.103340 -1.265268 -13.899866 1800.00 ZrBr4,gas ZrBr4 ZrBr4 Br(4)Zr(1) JA85 02.May.23 -159174.0 -154099.9 99.065 0.0 26.085960 -0.053092 -0.997082 -7.112991 1800.00 NbBr5,gas NbBr5 NbBr5 Br(5)Nb(1) JA85 02.May.23 -108320.3 -106020.1 107.375 0.0 32.137012 -0.071942 -1.326275 -9.634579 1800.00 WBr5,gas WBr5 WBr5 Br(5)W(1) JA85 02.May.23 -51037.3 -47599.9 110.280 0.0 30.651285 0.464698 -1.496091 22.254720 1800.00 WBr6,gas WBr6 WBr6 Br(6)W(1) JA85 02.May.23 -57631.2 -58099.9 115.368 0.0 37.924544 -0.035469 -1.301457 -4.718031 1800.00 C,gas C C C(1) JA85 02.May.23 160431.2 171288.2 37.787 0.0 4.831130 0.048332 -0.030125 2.898505 1800.00 AlC,gas AlC AlC C(1)Al(1) JA85 02.May.23 151301.1 164800.0 53.406 0.0 10.287391 -0.164291 -0.247284 -38.991573 1800.00 BC,gas BC BC C(1)B(1) JA85 02.May.23 183963.2 198000.0 49.846 0.0 12.418607 -0.529763 1.105130 -110.644991 1800.00 CBr,gas CBr CBr C(1)Br(1) JA85 02.May.23 111196.5 122000.0 55.796 0.0 8.333834 0.198456 -0.784669 19.054313 1800.00 CBrF3,gas CBrF3 CBrF3 C(1)Br(1)F(3) JA85 02.May.23 -148814.8 -155099.9 71.182 0.0 37.744157 -2.267794 0.274234 -359.902594 1800.00 BrCN,gas BrCN BrCN C(1)Br(1)N(1) JA85 02.May.23 39460.8 44500.0 59.360 0.0 17.460661 0.129574 0.583331 -118.831197 1800.00 CBr4,gas CBr4 CBr4 C(1)Br(4) JA85 02.May.23 8583.7 12000.0 85.587 0.0 28.824419 -0.612444 -1.681837 -85.915898 1800.00 CCl,gas CCl CCl C(1)Cl(1) JA85 02.May.23 112358.5 120000.0 53.661 0.0 10.784452 -0.270069 0.115501 -54.103564 1800.00 COClF,gas COClF COClF C(1)Cl(1)F(1)O(1) JA85 02.May.23 -98847.8 -102000.0 66.207 0.0 28.550660 -1.455899 0.810090 -285.163490 1800.00 CClF3,gas CClF3 CClF3 C(1)Cl(1)F(3) JA85 02.May.23 -159500.7 -169200.0 68.201 0.0 38.357170 -2.383952 0.196412 -378.498458 1800.00 ClCN,gas ClCN ClCN C(1)Cl(1)N(1) JA85 02.May.23 31313.3 32969.9 56.485 0.0 17.875909 0.050574 0.544240 -132.544087 1800.00 COCl,gas COCl COCl C(1)Cl(1)O(1) JA85 02.May.23 -18285.9 -15000.0 63.567 0.0 17.350054 -0.424492 0.995424 -130.518087 1800.00 CCl2,gas CCl2 CCl2 C(1)Cl(2) JA85 02.May.23 54397.2 57000.0 63.419 0.0 14.453886 1.548148 -0.542043 -55.790928 1800.00 CCl2F2,gas CCl2F2 CCl2F2 C(1)Cl(2)F(2) JA85 02.May.23 -108185.5 -117500.0 71.916 0.0 35.790923 -1.928520 -0.642691 -297.424891 1800.00 CCl3,gas CCl3 CCl3 C(1)Cl(3) JA85 02.May.23 22101.6 19000.0 70.945 0.0 24.515555 -0.926530 -1.050332 -135.855894 1800.00 CCl3F,gas CCl3F CCl3F C(1)Cl(3)F(1) JA85 02.May.23 -59592.5 -69000.0 74.028 0.0 33.202259 -1.454881 -1.401029 -217.194334 1800.00 CCl4,gas CCl4 CCl4 C(1)Cl(4) JA85 02.May.23 -12814.8 -22940.0 74.046 0.0 30.692990 -0.985154 -2.090591 -140.580880 1800.00 CF,gas CF CF C(1)F(1) JA85 02.May.23 53453.6 61000.0 50.916 0.0 12.353984 -0.525395 1.076018 -107.521003 1800.00 FCN,gas FCN FCN C(1)F(1)N(1) JA85 02.May.23 6999.3 8599.9 53.873 0.0 19.226251 -0.446285 1.132786 -176.856303 1800.00 COF,gas COF COF C(1)F(1)O(1) JA85 02.May.23 -43762.7 -41000.0 59.388 0.0 20.126244 -0.971961 1.563840 -212.202650 1800.00 CF2,gas CF2 CF2 C(1)F(2) JA85 02.May.23 -45801.9 -43500.0 57.560 0.0 21.002996 -1.335641 1.047576 -215.735011 1800.00 COF2,gas COF2 COF2 C(1)F(2)O(1) JA85 02.May.23 -148979.2 -152700.0 61.875 0.0 30.997265 -1.881170 1.703662 -363.851639 1800.00 CF3,gas CF3 CF3 C(1)F(3) JA85 02.May.23 -109204.6 -112400.1 63.356 0.0 31.273075 -2.137327 1.241038 -348.074430 1800.00 CIF3,gas CIF3 CIF3 C(1)F(3)I(1) JA85 02.May.23 -136498.3 -140800.0 73.525 0.0 37.321639 -2.193535 0.280264 -346.457311 1800.00 CF4,gas CF4 CF4 C(1)F(4) JA85 02.May.23 -212358.3 -223039.9 62.481 0.0 41.000475 -2.839206 1.107673 -463.588889 1800.00 CF3OF,gas CF3OF CF3OF C(1)F(4)O(1) JA85 02.May.23 -169163.7 -182800.0 77.087 0.0 46.698707 -2.958956 1.179739 -487.049636 1800.00 CF3SF5,gas CF3SF5 CF3SF5 C(1)F(8)S(1) JA85 02.May.23 -376965.1 -410385.0 90.814 0.0 77.983024 -4.532091 -2.797694 -695.895372 1800.00 CH,gas CH CH C(1)H(1) JA85 02.May.23 134021.7 142000.0 43.748 0.0 5.887400 1.852668 0.482633 0.226247 1800.00 CHCl,gas CHCl CHCl C(1)H(1)Cl(1) JA85 02.May.23 76273.7 80000.0 56.145 0.0 26.664949 -1.193235 5.282009 -403.535190 1800.00 CHClF2,gas CHClF2 CHClF2 C(1)H(1)Cl(1)F(2) JA85 02.May.23 -107657.5 -115099.9 67.153 0.0 38.091299 -1.765930 1.887830 -449.856393 1800.00 CHCl2F,gas CHCl2F CHCl2F C(1)H(1)Cl(2)F(1) JA85 02.May.23 -60410.6 -67700.0 70.091 0.0 36.707957 -1.522804 1.608703 -405.802397 1800.00 CHCl3,gas CHCl3 CHCl3 C(1)H(1)Cl(3) JA85 02.May.23 -16815.7 -24659.9 70.655 0.0 34.376395 -1.112942 0.703608 -331.951004 1800.00 CHF,gas CHF CHF C(1)H(1)F(1) JA85 02.May.23 26374.8 30000.0 53.381 0.0 17.882696 -0.021256 2.275108 -209.930384 1800.00 HCOF,gas HCOF HCOF C(1)H(1)F(1)O(1) JA85 02.May.23 -87967.0 -90000.0 58.920 0.0 30.731677 -1.297970 3.749193 -429.831554 1800.00 CHF3,gas CHF3 CHF3 C(1)H(1)F(3) JA85 02.May.23 -158361.9 -166599.9 62.060 0.0 41.884514 -2.416861 3.698451 -572.281240 1800.00 HCN,gas HCN HCN C(1)H(1)N(1) JA85 02.May.23 29810.0 32300.0 48.238 0.0 16.274625 0.658972 1.199971 -159.483283 1800.00 HNCO,gas HNCO HNCO C(1)H(1)N(1)O(1) JA85 02.May.23 -22074.6 -24300.0 56.938 0.0 24.098881 0.092755 1.485797 -259.320462 1800.00 HCO,gas HCO HCO C(1)H(1)O(1) JA85 02.May.23 6766.0 10400.1 53.692 0.0 19.816032 -0.452371 3.259862 -259.852528 1800.00 CHP,gas CHP CHP C(1)H(1)P(1) JA85 02.May.23 28494.0 35827.0 51.401 0.0 17.450026 0.272788 0.557372 -160.140928 1800.00 CH2,gas CH2 CH2 C(1)H(2) JA85 02.May.23 88251.7 92349.9 46.351 0.0 14.959328 0.952785 2.371658 -166.006218 1800.00 CH2ClF,gas CH2ClF CH2ClF C(1)H(2)Cl(1)F(1) JA85 02.May.23 -56547.6 -62599.9 63.198 0.0 39.000524 -1.330322 4.564457 -560.986938 1800.00 CH2Cl2,gas CH2Cl2 CH2Cl2 C(1)H(2)Cl(2) JA85 02.May.23 -16473.2 -22830.1 64.602 0.0 36.454771 -0.900475 3.268852 -478.181474 1800.00 CH2F2,gas CH2F2 CH2F2 C(1)H(2)F(2) JA85 02.May.23 -101117.6 -107710.1 58.962 0.0 42.002350 -1.823130 6.169018 -658.584961 1800.00 H2CO,gas H2CO H2CO C(1)H(2)O(1) JA85 02.May.23 -26271.7 -27700.0 52.330 0.0 30.698056 -0.733726 6.156217 -498.933747 1800.00 CH3,gas CH3 CH3 C(1)H(3) JA85 02.May.23 35360.9 34820.0 46.408 0.0 20.645793 1.534556 3.176855 -265.598645 1800.00 CH3Cl,gas CH3Cl CH3Cl C(1)H(3)Cl(1) JA85 02.May.23 -14375.2 -20000.0 56.015 0.0 36.826559 -0.342218 5.678786 -575.737596 1800.00 SiCH3Cl3,gas SiCH3Cl3 SiCH3Cl3 C(1)H(3)Cl(3)Si(1) JA85 02.May.23 -97891.3 -126400.1 83.926 0.0 52.446877 0.000507 2.661586 -534.639162 1500.00 CH3F,gas CH3F CH3F C(1)H(3)F(1) JA85 02.May.23 -50277.0 -56000.0 53.261 0.0 39.873224 -0.830247 7.565693 -675.659281 1800.00 SiCH3F3,gas SiCH3F3 SiCH3F3 C(1)H(3)F(3)Si(1) JA85 02.May.23 -265652.2 -294625.0 75.096 0.0 57.747370 -1.068412 3.855611 -691.449277 1500.00 CH4,gasJA85 CH4 CH4 C(1)H(4) JA85 02.May.23 -12133.8 -17895.1 44.515 0.0 35.716794 0.536150 8.174479 -629.832024 1800.00 CNI,gas CNI CNI C(1)I(1)N(1) JA85 02.May.23 47036.3 54000.0 61.506 0.0 16.956062 -0.046125 0.578583 -103.623588 1800.00 KCN,gas KCN KCN C(1)K(1)N(1) JA85 02.May.23 12805.4 19000.0 60.503 0.0 16.765460 -0.014343 0.919378 -97.025186 1800.00 CN,gas CN CN C(1)N(1) JA85 02.May.23 96796.1 104000.0 48.432 0.0 10.117540 0.300224 1.303022 -81.123261 1800.00 NaCN,gas NaCN NaCN C(1)N(1)Na(1) JA85 02.May.23 16090.6 22530.1 58.166 0.0 16.754146 -0.007299 0.802918 -97.409692 1800.00 NC101,gas NC101 NC101 C(1)N(1)O(1) JA85 02.May.23 36095.6 38099.9 55.509 0.0 21.898112 -1.056317 1.841293 -243.032684 1800.00 CNN,gas CNN CNN C(1)N(2) JA85 02.May.23 137251.0 139700.0 55.381 0.0 17.219227 0.084028 0.933623 -141.159884 1800.00 NCN,gas NCN NCN C(1)N(2) JA85 02.May.23 110943.8 113000.0 54.064 0.0 22.098865 -1.268981 1.406949 -228.380627 1800.00 CO,gasJA85 CO CO C(1)O(1) JA85 02.May.23 -32782.7 -26416.6 47.240 0.0 10.888268 -0.002353 1.605527 -98.698103 1800.00 COS,gas COS COS C(1)O(1)S(1) JA85 02.May.23 -39579.6 -33080.1 55.349 0.0 19.845950 -0.496964 0.768028 -183.727831 1800.00 CO2,gasJA85 CO2 CO2 C(1)O(2) JA85 02.May.23 -94261.2 -94054.0 51.098 0.0 21.095341 -0.654789 1.755136 -241.626050 1800.00 CP,gas CP CP C(1)P(1) JA85 02.May.23 95452.9 107527.0 51.686 0.0 12.221979 -0.545302 0.873025 -101.844913 1800.00 CS,gas CS CS C(1)S(1) JA85 02.May.23 54689.3 67000.0 50.324 0.0 12.322631 -0.558851 0.978858 -106.010213 1800.00 CS2,gas CS2 CS2 C(1)S(2) JA85 02.May.23 15969.4 27950.0 56.878 0.0 19.723100 -0.644077 0.403873 -156.686787 1800.00 SiC,gas SiC SiC C(1)Si(1) JA85 02.May.23 158568.8 172000.0 50.919 0.0 -5.541843 3.240580 -8.706485 405.945806 1800.00 Si2C,gas Si2C Si2C C(1)Si(2) JA85 02.May.23 113826.0 128000.0 57.908 0.0 18.961087 -0.579182 0.584102 -140.108396 1800.00 C2,gas C2 C2 C(2) JA85 02.May.23 186834.1 200223.9 47.653 0.0 5.815420 1.314726 1.629594 40.342220 1800.00 BeC2,gas BeC2 BeC2 C(2)Be(1) JA85 02.May.23 120910.4 135000.0 52.257 0.0 21.400947 -0.851217 2.370544 -240.460013 1800.00 C2Cl2,gas C2Cl2 C2Cl2 C(2)Cl(2) JA85 02.May.23 47430.2 50099.9 65.016 0.0 25.022417 -0.458063 0.373659 -166.174292 1800.00 C2Cl4,gas C2Cl4 C2Cl4 C(2)Cl(4) JA85 02.May.23 5169.2 -2969.9 82.080 0.0 42.181771 -1.911238 -0.164285 -321.471758 1800.00 C2Cl6,gas C2Cl6 C2Cl6 C(2)Cl(6) JA85 02.May.23 -11925.0 -32080.1 95.096 0.0 55.100971 -2.292500 -2.603727 -315.996485 1800.00 C2F2,gas C2F2 C2F2 C(2)F(2) JA85 02.May.23 2877.2 5000.0 58.332 0.0 29.990067 -1.496882 1.452833 -303.456468 1800.00 CF3CN,gas CF3CN CF3CN C(2)F(3)N(1) JA85 02.May.23 -110352.1 -118400.1 71.351 0.0 46.941502 -2.496654 1.534065 -504.868344 1800.00 C2F4,gas C2F4 C2F4 C(2)F(4) JA85 02.May.23 -149059.5 -157400.1 71.705 0.0 48.080368 -2.795128 2.198540 -526.757931 1800.00 C2F6,gas C2F6 C2F6 C(2)F(6) JA85 02.May.23 -300701.2 -321200.0 79.394 0.0 64.770925 -4.293410 -0.229064 -653.600385 1800.00 C2H,gas C2H C2H C(2)H(1) JA85 02.May.23 104691.9 114000.0 49.580 0.0 15.679644 0.770023 0.863623 -138.066864 1800.00 C2HCl,gas C2HCl C2HCl C(2)H(1)Cl(1) JA85 02.May.23 47278.0 51099.9 57.838 0.0 22.764054 0.444372 0.108690 -172.988804 1800.00 C2HF,gas C2HF C2HF C(2)H(1)F(1) JA85 02.May.23 26195.0 30000.0 55.356 0.0 23.400833 0.382151 0.551649 -200.506001 1800.00 C2H2,gas C2H2 C2H2 C(2)H(2) JA85 02.May.23 50000.0 54190.0 48.030 0.0 21.276879 1.517005 0.702776 -206.582577 1800.00 C2H4,gas C2H4 C2H4 C(2)H(4) JA85 02.May.23 16353.0 12539.9 52.421 0.0 45.878720 -0.351565 7.204656 -752.623667 1800.00 C2H4O,gas C2H4O C2H4O C(2)H(4)O(1) JA85 02.May.23 -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 C(2)K(2)N(2) JA85 02.May.23 -4900.1 -2000.0 89.180 0.0 35.327789 0.011296 1.771712 -188.680264 1800.00 C2N,gas C2N C2N C(2)N(1) JA85 02.May.23 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 C(2)N(2) JA85 02.May.23 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 C(2)N(2)Na(2) JA85 02.May.23 -5028.9 -2099.9 82.959 0.0 35.325519 0.020799 1.291001 -189.995103 1800.00 C2O,gas C2O C2O C(2)O(1) JA85 02.May.23 60019.4 68500.0 55.704 0.0 18.897032 0.078202 1.187881 -171.873128 1800.00 SiC2,gas SiC2 SiC2 C(2)Si(1) JA85 02.May.23 132289.9 147000.0 56.580 0.0 19.775584 -0.720457 0.981599 -168.582740 1800.00 C3,gas C3 C3 C(3) JA85 02.May.23 180321.2 196000.0 56.703 0.0 16.448387 0.002645 3.303525 -192.220292 1800.00 C3O2,gas C3O2 C3O2 C(3)O(2) JA85 02.May.23 -26206.7 -22380.0 65.983 0.0 37.084894 -1.148677 2.549155 -406.994049 1800.00 C4,gas C4 C4 C(4) JA85 02.May.23 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 C(4)H(12)Si(1) JA85 02.May.23 -35387.9 -68500.0 86.326 0.0 125.236626 1.591398 17.728052 -1942.253777 1500.00 C4N2,gas C4N2 C4N2 C(4)N(2) JA85 02.May.23 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 C(4)Ni(1)O(4) JA85 02.May.23 -140386.7 -143780.1 99.309 0.0 60.537287 -0.807025 2.428360 -471.540293 1800.00 C5,gas C5 C5 C(5) JA85 02.May.23 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 C(5)Fe(1)O(5) JA85 02.May.23 -164724.4 -173960.1 104.992 0.0 78.938550 -1.822222 2.200847 -691.327802 1800.00 Ca,gas Ca Ca Ca(1) JA85 02.May.23 34421.6 42495.2 37.019 0.0 4.871025 0.032764 -0.030697 2.087724 1800.00 CaCl,gas CaCl CaCl Ca(1)Cl(1) JA85 02.May.23 -31301.6 -25000.0 57.734 0.0 9.067064 0.088352 -0.321005 -3.616155 1800.00 CaF,gas CaF CaF Ca(1)F(1) JA85 02.May.23 -71175.7 -65000.0 54.887 0.0 9.586143 -0.037000 -0.413476 -18.459864 1800.00 CaF2,gas CaF2 CaF2 Ca(1)F(2) JA85 02.May.23 -189596.6 -187500.0 65.439 0.0 14.816976 -0.188019 -0.906540 -25.802787 1800.00 CaOH,gas CaOH CaOH Ca(1)H(1)O(1) JA85 02.May.23 -48188.3 -46337.7 56.279 0.0 12.534214 0.927541 -1.300834 -11.776446 1800.00 Ca(OH)2,gas Ca(OH)2 Ca(OH)2 Ca(1)H(2)O(2) JA85 02.May.23 -139433.6 -145976.1 68.261 0.0 20.709674 1.930630 -2.679866 -12.323636 1800.00 CaI,gas CaI CaI Ca(1)I(1) JA85 02.May.23 -12724.7 -1205.8 62.454 0.0 8.948600 0.073294 -0.172575 -0.313500 1800.00 CaI2,gas CaI2 CaI2 Ca(1)I(2) JA85 02.May.23 -73802.6 -61700.0 78.291 0.0 14.983601 -0.016804 -0.317358 -2.242627 1800.00 CaO,gas CaO CaO Ca(1)O(1) JA85 02.May.23 5115.9 10500.0 52.514 0.0 -0.697781 3.709623 -3.578570 195.607628 1800.00 CaS,gas CaS CaS Ca(1)S(1) JA85 02.May.23 18213.7 29539.9 55.590 0.0 -9.581709 7.127443 -5.728612 382.649605 1800.00 Ca2,gas Ca2 Ca2 Ca(2) JA85 02.May.23 69253.6 81653.2 61.468 0.0 -0.003596 1.064720 0.443205 137.549301 1800.00 Cl,gas Cl Cl Cl(1) JA85 02.May.23 25168.7 28991.9 39.481 0.0 4.856211 -0.115170 -0.712015 20.488916 1800.00 CoCl,gas CoCl CoCl Cl(1)Co(1) JA85 02.May.23 38683.8 46099.9 58.719 0.0 9.008437 0.069880 -0.411672 -2.944844 1800.00 CsCl,gas CsCl CsCl Cl(1)Cs(1) JA85 02.May.23 -61631.7 -57400.1 61.202 0.0 8.960402 0.181647 -0.136806 -0.503449 1800.00 DCl,gas DCl DCl Cl(1)D(1) JA85 02.May.23 -22931.4 -22310.0 46.066 0.0 10.847733 0.053859 1.551333 -96.960457 1800.00 DOCl,gas DOCl DOCl Cl(1)D(1)O(1) JA85 02.May.23 -15397.2 -18700.0 57.420 0.0 16.607563 -0.065710 0.717293 -141.171233 1800.00 ClF,gas ClF ClF Cl(1)F(1) JA85 02.May.23 -12376.7 -12020.1 52.088 0.0 10.288554 -0.158765 -0.249683 -39.661537 1800.00 Li2ClF,gas Li2ClF Li2ClF Cl(1)F(1)Li(2) JA85 02.May.23 -179981.6 -180200.0 64.063 0.0 23.528414 -0.716372 -1.807651 -108.389178 1800.00 MgClF,gas MgClF MgClF Cl(1)F(1)Mg(1) JA85 02.May.23 -137041.8 -136000.0 62.196 0.0 15.383930 -0.301289 -0.817947 -42.372558 1800.00 SO2ClF,gas SO2ClF SO2ClF Cl(1)F(1)O(2)S(1) JA85 02.May.23 -122504.3 -133000.0 72.383 0.0 36.212079 -1.911613 0.019117 -320.781238 1800.00 ClO3F,gas ClO3F ClO3F Cl(1)F(1)O(3) JA85 02.May.23 12101.3 -5120.0 66.679 0.0 38.847402 -2.444653 0.310296 -396.921646 1800.00 POClF2,gas POClF2 POClF2 Cl(1)F(2)O(1)P(1) JA85 02.May.23 -220862.8 -232000.0 72.105 0.0 37.268736 -2.187886 -0.221687 -344.536818 1800.00 ClF3,gas ClF3 ClF3 Cl(1)F(3) JA85 02.May.23 -28412.3 -37969.9 67.304 0.0 23.234938 -0.688011 -1.949353 -96.664933 1800.00 SiClF3,gas SiClF3 SiClF3 Cl(1)F(3)Si(1) JA85 02.May.23 -306031.1 -315000.0 73.776 0.0 32.717981 -1.374986 -1.524437 -201.273415 1800.00 ClF5,gas ClF5 ClF5 Cl(1)F(5) JA85 02.May.23 -35068.1 -57000.0 74.268 0.0 37.533386 -1.177080 -3.966100 -164.623001 1800.00 SClF5,gas SClF5 SClF5 Cl(1)F(5)S(1) JA85 02.May.23 -224738.8 -248300.0 76.465 0.0 48.869682 -2.244703 -4.137513 -322.353989 1800.00 FeCl,gas FeCl FeCl Cl(1)Fe(1) JA85 02.May.23 51540.6 60000.0 61.561 0.0 8.453985 0.302158 -0.876564 27.079364 1800.00 HCl,gasJA85 HCl HCl Cl(1)H(1) JA85 02.May.23 -22777.2 -22063.1 44.670 0.0 7.294263 0.918312 0.647975 -22.651893 1800.00 HOCl,gas HOCl HOCl Cl(1)H(1)O(1) JA85 02.May.23 -14739.5 -17800.0 56.526 0.0 14.847669 0.333663 0.531798 -114.597790 1800.00 SiH3Cl,gas SiH3Cl SiH3Cl Cl(1)H(3)Si(1) JA85 02.May.23 -28511.5 -33900.1 59.933 0.0 39.410431 -1.579788 3.691304 -532.727365 1800.00 HgCl,gas HgCl HgCl Cl(1)Hg(1) JA85 02.May.23 13588.2 18750.0 62.143 0.0 9.000894 0.181642 -0.227469 -1.641194 1800.00 ICl,gas ICl ICl Cl(1)I(1) JA85 02.May.23 -1371.2 4184.0 59.170 0.0 9.098298 0.073738 -0.329101 -4.403861 1800.00 LiOCl,gas LiOCl LiOCl Cl(1)Li(1)O(1) JA85 02.May.23 -4342.0 -3400.1 61.285 0.0 18.441461 -0.874993 -0.066576 -135.621831 1800.00 MgCl,gas MgCl MgCl Cl(1)Mg(1) JA85 02.May.23 -16756.5 -10400.1 55.787 0.0 9.244510 0.049785 -0.392192 -8.569633 1800.00 ONCl,gas ONCl ONCl Cl(1)N(1)O(1) JA85 02.May.23 15797.3 12359.9 62.543 0.0 17.628653 -0.271737 0.939396 -137.160074 1800.00 NO2Cl,gas NO2Cl NO2Cl Cl(1)N(1)O(2) JA85 02.May.23 12897.9 2900.1 65.054 0.0 29.354238 -1.636357 1.359346 -305.510268 1800.00 NiCl,gas NiCl NiCl Cl(1)Ni(1) JA85 02.May.23 35627.9 43500.0 60.201 0.0 11.481766 -0.305680 -0.148342 -47.882963 1800.00 ClO,gas ClO ClO Cl(1)O(1) JA85 02.May.23 23298.8 24191.9 54.170 0.0 10.767936 -0.252749 -0.054523 -53.530516 1800.00 OTiCl,gas OTiCl OTiCl Cl(1)O(1)Ti(1) JA85 02.May.23 -59718.9 -58380.0 63.016 0.0 17.240520 -0.468237 -0.729116 -68.152628 1800.00 ClO2,gas ClO2 ClO2 Cl(1)O(2) JA85 02.May.23 29236.9 25000.0 61.479 0.0 19.029920 -0.791254 0.223118 -155.755200 1800.00 PCl,gas PCl PCl Cl(1)P(1) JA85 02.May.23 24756.0 30831.7 56.854 0.0 9.265609 0.028043 -0.397510 -9.176322 1800.00 PbCl,gas PbCl PbCl Cl(1)Pb(1) JA85 02.May.23 -2335.1 3599.9 62.049 0.0 8.296484 0.364719 -0.449506 13.047071 1800.00 SCl,gas SCl SCl Cl(1)S(1) JA85 02.May.23 30717.0 37396.0 56.722 0.0 8.069626 0.257369 -0.591962 25.819754 1800.00 S2Cl,gas S2Cl S2Cl Cl(1)S(2) JA85 02.May.23 10507.4 18776.1 69.715 0.0 14.852086 -0.195326 -0.951184 -26.800078 1800.00 SiCl,gas SiCl SiCl Cl(1)Si(1) JA85 02.May.23 39741.4 47400.1 56.843 0.0 9.215168 0.038292 -0.195357 -7.879208 1800.00 SrCl,gas SrCl SrCl Cl(1)Sr(1) JA85 02.May.23 -35660.6 -29599.9 60.297 0.0 8.979414 0.119341 -0.248783 -1.233234 1800.00 TiCl,gas TiCl TiCl Cl(1)Ti(1) JA85 02.May.23 29281.3 36900.1 59.564 0.0 12.228515 -0.393968 -0.721922 -41.633303 1800.00 WCl,gas WCl WCl Cl(1)W(1) JA85 02.May.23 123913.0 132300.0 62.594 0.0 8.054979 0.537300 -0.658633 14.647974 1800.00 ZrCl,gas ZrCl ZrCl Cl(1)Zr(1) JA85 02.May.23 41696.0 49099.9 60.781 0.0 9.692949 0.746398 0.282962 -31.890772 1800.00 CoCl2,gas CoCl2 CoCl2 Cl(2)Co(1) JA85 02.May.23 -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 Cl(2)Cs(2) JA85 02.May.23 -156992.4 -157700.0 91.646 0.0 19.888521 -0.003520 -0.314387 -0.467104 1800.00 POCl2F,gas POCl2F POCl2F Cl(2)F(1)O(1)P(1) JA85 02.May.23 -172471.8 -183000.0 76.573 0.0 33.035370 -1.367358 -0.941504 -218.159276 1800.00 SiH2Cl2,gas SiH2Cl2 SiH2Cl2 Cl(2)H(2)Si(1) JA85 02.May.23 -70482.8 -76599.9 68.531 0.0 35.732291 -1.223173 1.365714 -380.464451 1800.00 HgCl2,gas HgCl2 HgCl2 Cl(2)Hg(1) JA85 02.May.23 -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 Cl(2)K(2) JA85 02.May.23 -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 Cl(2)Li(2) JA85 02.May.23 -143591.8 -143055.9 69.017 0.0 20.697877 -0.172977 -1.818519 -23.344495 1800.00 MoO2Cl2,gas MoO2Cl2 MoO2Cl2 Cl(2)Mo(1)O(2) JA85 02.May.23 -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 Cl(2)Na(2) JA85 02.May.23 -135260.3 -135300.0 77.780 0.0 20.003005 -0.027654 -0.846339 -3.685702 1800.00 Cl2O,gas Cl2O Cl2O Cl(2)O(1) JA85 02.May.23 25111.1 21000.0 64.044 0.0 15.858594 -0.399124 -0.964417 -55.943086 1800.00 TiOCl2,gas TiOCl2 TiOCl2 Cl(2)O(1)Ti(1) JA85 02.May.23 -127866.6 -130390.1 76.721 0.0 22.009565 -0.430288 -0.974226 -62.157388 1800.00 SO2Cl2,gas SO2Cl2 SO2Cl2 Cl(2)O(2)S(1) JA85 02.May.23 -74169.0 -84800.0 74.353 0.0 34.426467 -1.569435 -0.078981 -266.974972 1800.00 WO2Cl2,gas WO2Cl2 WO2Cl2 Cl(2)O(2)W(1) JA85 02.May.23 -152878.1 -160500.0 84.591 0.0 31.081734 -1.031252 -0.860628 -155.180864 1800.00 SCl2,gas SCl2 SCl2 Cl(2)S(1) JA85 02.May.23 -6088.0 -4200.0 67.311 0.0 14.856446 -0.196357 -0.961543 -26.914517 1800.00 ClSSCl,gas ClSSCl ClSSCl Cl(2)S(2) JA85 02.May.23 -6852.1 -4000.0 78.206 0.0 24.220767 -1.016272 -0.607028 -100.815888 1500.00 SiCl2,gas SiCl2 SiCl2 Cl(2)Si(1) JA85 02.May.23 -43110.2 -40300.0 67.240 0.0 14.755838 -0.175762 -0.950663 -24.026554 1800.00 TiCl2,gas TiCl2 TiCl2 Cl(2)Ti(1) JA85 02.May.23 -58445.7 -56700.0 66.524 0.0 12.638004 0.917565 -1.553113 44.250063 1800.00 WCl2,gas WCl2 WCl2 Cl(2)W(1) JA85 02.May.23 -6825.0 -3000.0 73.952 0.0 10.301693 1.946044 -1.974306 89.668627 1800.00 ZrCl2,gas ZrCl2 ZrCl2 Cl(2)Zr(1) JA85 02.May.23 -46681.2 -44500.0 69.923 0.0 12.720662 0.900361 -1.464870 41.901494 1800.00 CoCl3,gas CoCl3 CoCl3 Cl(3)Co(1) JA85 02.May.23 -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 Cl(3)Cu(3) JA85 02.May.23 -61473.2 -61800.0 102.659 0.0 32.200285 -0.085038 -1.549644 -11.430317 1800.00 SiCl3F,gas SiCl3F SiCl3F Cl(3)F(1)Si(1) JA85 02.May.23 -192535.9 -201000.0 80.319 0.0 28.984001 -0.632571 -1.748347 -91.778420 1800.00 FeCl3,gas FeCl3 FeCl3 Cl(3)Fe(1) JA85 02.May.23 -59236.4 -60500.0 82.267 0.0 20.141288 -0.056609 -0.991688 -7.592978 1800.00 SiHCl3,gas SiHCl3 SiHCl3 Cl(3)H(1)Si(1) JA85 02.May.23 -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 Cl(3)Li(3) JA85 02.May.23 -233996.7 -240134.1 80.245 0.0 37.245076 -1.118121 -3.122414 -156.329536 1800.00 OPCl3,gas OPCl3 OPCl3 Cl(3)O(1)P(1) JA85 02.May.23 -122910.4 -133800.0 77.785 0.0 31.069277 -0.989484 -1.139048 -159.094009 1800.00 PCl3,gas PCl3 PCl3 Cl(3)P(1) JA85 02.May.23 -64438.3 -69000.0 74.494 0.0 21.171020 -0.270029 -1.647782 -36.913956 1800.00 SPCl3,gas SPCl3 SPCl3 Cl(3)P(1)S(1) JA85 02.May.23 -85983.0 -91000.0 80.628 0.0 28.506595 -0.548608 -2.174526 -76.663276 1800.00 SiCl3,gas SiCl3 SiCl3 Cl(3)Si(1) JA85 02.May.23 -90788.2 -93300.0 76.049 0.0 21.519285 -0.340984 -1.603379 -46.958699 1800.00 TiCl3,gas TiCl3 TiCl3 Cl(3)Ti(1) JA85 02.May.23 -125445.0 -128900.1 75.740 0.0 21.396894 -0.324356 -2.891304 -12.540427 1800.00 ZrCl3,gas ZrCl3 ZrCl3 Cl(3)Zr(1) JA85 02.May.23 -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 Cl(4)Co(2) JA85 02.May.23 -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 Cl(4)Fe(2) JA85 02.May.23 -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 Cl(4)Mg(2) JA85 02.May.23 -221503.6 -228099.9 100.127 0.0 32.484242 -0.143843 -1.575195 -19.524667 1800.00 MoCl4,gas MoCl4 MoCl4 Cl(4)Mo(1) JA85 02.May.23 -84673.0 -92000.0 88.896 0.0 26.267101 -0.040908 -1.745603 -14.691829 1800.00 OWCl4,gas OWCl4 OWCl4 Cl(4)O(1)W(1) JA85 02.May.23 -122508.8 -137068.1 90.124 0.0 37.806873 -1.183526 -1.626633 -177.548273 1800.00 PbCl4,gas PbCl4 PbCl4 Cl(4)Pb(1) JA85 02.May.23 -117560.5 -132027.5 91.219 0.0 26.277792 -0.093276 -1.332515 -12.532638 1800.00 SiCl4,gas SiCl4 SiCl4 Cl(4)Si(1) JA85 02.May.23 -148848.9 -158400.1 79.098 0.0 28.448952 -0.539009 -2.135043 -74.778129 1800.00 TiCl4,gas TiCl4 TiCl4 Cl(4)Ti(1) JA85 02.May.23 -173704.3 -182400.1 84.821 0.0 27.176345 -0.279481 -1.815866 -38.121071 1800.00 WCl4,gas WCl4 WCl4 Cl(4)W(1) JA85 02.May.23 -73207.5 -80300.0 90.651 0.0 26.222432 -0.042210 -1.635201 -12.915334 1800.00 ZrCl4,gas ZrCl4 ZrCl4 Cl(4)Zr(1) JA85 02.May.23 -199570.5 -207930.0 87.886 0.0 26.629617 -0.166714 -1.603622 -22.507371 1800.00 MoCl5,gas MoCl5 MoCl5 Cl(5)Mo(1) JA85 02.May.23 -93565.5 -107000.0 95.070 0.0 31.490081 0.289451 -2.620170 -1.500175 1800.00 NbCl5,gas NbCl5 NbCl5 Cl(5)Nb(1) JA85 02.May.23 -154557.1 -168099.9 96.585 0.0 33.031371 -0.257956 -2.207422 -35.036213 1800.00 PCl5,gas PCl5 PCl5 Cl(5)P(1) JA85 02.May.23 -69376.4 -86086.0 87.067 0.0 34.099017 -0.478293 -3.053312 -65.535607 1800.00 TaCl5,gas TaCl5 TaCl5 Cl(5)Ta(1) JA85 02.May.23 -169531.8 -182800.0 98.703 0.0 32.832827 -0.216983 -2.099535 -29.364178 1800.00 WCl5,gas WCl5 WCl5 Cl(5)W(1) JA85 02.May.23 -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 Cl(6)Fe(2) JA85 02.May.23 -143078.6 -156400.1 128.331 0.0 44.083189 -0.076735 -1.743454 -10.282027 1800.00 MoCl6,gas MoCl6 MoCl6 Cl(6)Mo(1) JA85 02.May.23 -85176.4 -105000.0 100.300 0.0 38.580406 -0.172862 -2.437585 -23.247480 1800.00 WCl6,gas WCl6 WCl6 Cl(6)W(1) JA85 02.May.23 -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 Cl(10)W(2) JA85 02.May.23 -174312.1 -207599.9 170.550 0.0 69.034476 -0.307007 -3.175937 -41.630826 1800.00 Co,gas Co Co Co(1) JA85 02.May.23 91328.2 101978.0 42.906 0.0 6.314578 0.043090 -0.792476 0.907543 1800.00 CoF2,gas CoF2 CoF2 Co(1)F(2) JA85 02.May.23 -88419.9 -85200.0 66.454 0.0 14.471977 0.277120 -0.637836 -27.669340 1800.00 Cr,gas Cr Cr Cr(1) JA85 02.May.23 84261.7 95000.0 41.661 0.0 1.489043 1.280844 -1.004992 72.632420 1800.00 CrN,gas CrN CrN Cr(1)N(1) JA85 02.May.23 112781.1 120700.0 55.103 0.0 11.370455 -0.409296 0.262038 -72.556485 1800.00 CrO,gas CrO CrO Cr(1)O(1) JA85 02.May.23 36942.4 45000.0 57.186 0.0 10.922904 -0.302182 0.018400 -58.305930 1800.00 CrO2,gas CrO2 CrO2 Cr(1)O(2) JA85 02.May.23 -20884.3 -18000.0 64.350 0.0 18.943222 -0.978200 0.340289 -149.920464 1800.00 CrO3,gas CrO3 CrO3 Cr(1)O(3) JA85 02.May.23 -65356.6 -70000.0 63.618 0.0 27.283651 -1.466130 -0.760869 -218.143769 1800.00 Cs,gas Cs Cs Cs(1) JA85 02.May.23 11838.4 18283.9 41.969 0.0 4.584269 0.133586 -0.118354 8.185385 1800.00 CsF,gas CsF CsF Cs(1)F(1) JA85 02.May.23 -89238.3 -85200.0 58.129 0.0 9.058234 0.111090 -0.299584 -3.277963 1800.00 CsOH,gas CsOH CsOH Cs(1)H(1)O(1) JA85 02.May.23 -62122.4 -62000.0 60.893 0.0 11.579346 1.129026 -0.838284 15.863993 1800.00 CsO,gas CsO CsO Cs(1)O(1) JA85 02.May.23 10167.1 15000.0 61.076 0.0 8.991983 0.166918 -0.215204 -1.397385 1800.00 Cs2,gas Cs2 Cs2 Cs(2) JA85 02.May.23 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 Cs(2)F(2) JA85 02.May.23 -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 Cs(2)H(2)O(2) JA85 02.May.23 -154040.9 -164400.1 86.221 0.0 37.703545 -0.030022 2.749899 -362.635588 1800.00 Cs2O,gas Cs2O Cs2O Cs(2)O(1) JA85 02.May.23 -25222.3 -22000.0 76.025 0.0 14.034255 -0.026053 -0.522082 -3.489144 1800.00 Cs2SO4,gas Cs2SO4 Cs2SO4 Cs(2)O(4)S(1) JA85 02.May.23 -253609.0 -268300.0 97.152 0.0 51.795420 -2.724148 -0.423424 -418.767216 1800.00 Cu,gas Cu Cu Cu(1) JA85 02.May.23 71194.3 80688.3 39.770 0.0 4.503998 0.161378 -0.142466 9.888055 1800.00 CuF,gas CuF CuF Cu(1)F(1) JA85 02.May.23 -9551.4 -3000.0 54.134 0.0 9.714023 -0.041093 -0.396650 -22.148292 1800.00 CuF2,gas CuF2 CuF2 Cu(1)F(2) JA85 02.May.23 -66018.6 -63800.0 63.835 0.0 15.209066 -0.113040 -0.991184 -45.076528 1800.00 CuO,gas CuO CuO Cu(1)O(1) JA85 02.May.23 66153.9 73200.0 56.075 0.0 9.275197 0.063734 -0.181413 -9.690378 1800.00 Cu2,gas Cu2 Cu2 Cu(2) JA85 02.May.23 103501.7 116000.0 57.773 0.0 8.983111 0.164924 -0.197549 -1.146148 1800.00 D,gas D D D(1) JA85 02.May.23 49367.4 52992.4 29.481 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 DF,gas DF DF D(1)F(1) JA85 02.May.23 -66265.3 -65849.9 42.950 0.0 7.234308 0.924883 0.625850 -21.222629 1800.00 HD,gas HD HD D(1)H(1) JA85 02.May.23 -349.7 76.5 34.370 0.0 5.139966 1.377281 -0.096972 26.657944 1800.00 HDO,gas HDO HDO D(1)H(1)O(1) JA85 02.May.23 -55731.6 -58645.1 47.684 0.0 12.794922 1.405160 2.040424 -128.032057 1800.00 ND,gas ND ND D(1)N(1) JA85 02.May.23 88349.7 89700.0 44.750 0.0 9.735984 0.377167 1.336019 -75.244180 1800.00 OD,gas OD OD D(1)O(1) JA85 02.May.23 7707.7 8748.1 45.328 0.0 8.303695 0.700052 1.121456 -44.582445 1800.00 SD,gas SD SD D(1)S(1) JA85 02.May.23 26191.4 33099.9 48.156 0.0 10.485111 0.067090 1.566576 -77.213578 1800.00 ND2,gas ND2 ND2 D(2)N(1) JA85 02.May.23 46899.1 44300.0 48.827 0.0 18.524765 -0.023254 3.250293 -240.460465 1800.00 DNND,gas DNND DNND D(2)N(2) JA85 02.May.23 57515.1 49500.0 53.559 0.0 32.159642 -1.446303 4.852403 -480.573076 1800.00 D2O,gas D2O D2O D(2)O(1) JA85 02.May.23 -56055.4 -59560.9 47.404 0.0 15.492756 0.840849 2.648058 -181.475377 1800.00 D2S,gas D2S D2S D(2)S(1) JA85 02.May.23 -8436.9 -5710.1 51.454 0.0 20.735537 -0.616144 3.252487 -270.210425 1800.00 ND3,gas ND3 ND3 D(3)N(1) JA85 02.May.23 -6210.3 -14000.0 48.741 0.0 28.561717 -0.198374 4.765355 -426.482066 1800.00 F,gas F F F(1) JA85 02.May.23 14887.4 18974.7 37.942 0.0 4.105137 0.161747 -0.220641 26.487518 1800.00 FeF,gas FeF FeF F(1)Fe(1) JA85 02.May.23 3446.0 11400.1 57.442 0.0 9.746695 -0.085995 -0.390962 -23.070214 1800.00 HF,gasJA85 HF HF F(1)H(1) JA85 02.May.23 -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 F(2)H(2) JA85 02.May.23 -130127.4 -136870.0 57.086 0.0 20.315186 0.898970 0.790812 -185.649168 1800.00 H3F3,gas H3F3 H3F3 F(3)H(3) JA85 02.May.23 -195021.0 -210109.9 68.943 0.0 34.052583 1.068460 0.335058 -286.665392 1800.00 H4F4,gas H4F4 H4F4 F(4)H(4) JA85 02.May.23 -260298.8 -282940.0 83.463 0.0 46.728764 1.424421 0.427780 -382.232469 1800.00 H5F5,gas H5F5 H5F5 F(5)H(5) JA85 02.May.23 -325748.3 -356050.0 97.620 0.0 59.403411 1.780905 0.520006 -477.766940 1800.00 H6F6,gas H6F6 H6F6 F(6)H(6) JA85 02.May.23 -393988.3 -432039.9 111.477 0.0 72.077594 2.137441 0.611868 -573.287812 1800.00 H7F7,gas H7F7 H7F7 F(7)H(7) JA85 02.May.23 -456649.6 -502520.1 125.103 0.0 84.752828 2.493736 0.704216 -668.834002 1800.00 HOF,gas HOF HOF F(1)H(1)O(1) JA85 02.May.23 -20468.9 -23500.0 54.200 0.0 15.875250 0.169537 1.113265 -148.353362 1800.00 HSO3F,gas HSO3F HSO3F F(1)H(1)O(3)S(1) JA85 02.May.23 -165089.4 -180000.0 71.049 0.0 43.502883 -1.657346 0.717193 -446.550209 1800.00 SiH3F,gas SiH3F SiH3F F(1)H(3)Si(1) JA85 02.May.23 -84453.6 -90000.0 56.979 0.0 41.613569 -2.005869 4.399859 -598.568018 1800.00 HgF,gas HgF HgF F(1)Hg(1) JA85 02.May.23 -4355.9 700.0 59.363 0.0 9.308911 0.098286 -0.404812 -10.424098 1800.00 IF,gas IF IF F(1)I(1) JA85 02.May.23 -28122.8 -22647.9 56.476 0.0 9.679851 0.049456 -0.404790 -21.112700 1800.00 KF,gas KF KF F(1)K(1) JA85 02.May.23 -82414.4 -78099.9 54.162 0.0 9.170146 0.116402 -0.367391 -6.450780 1800.00 LiF,gas LiF LiF F(1)Li(1) JA85 02.May.23 -86423.8 -81450.0 47.868 0.0 10.995330 -0.268900 0.052252 -60.522831 1800.00 LiOF,gas LiOF LiOF F(1)Li(1)O(1) JA85 02.May.23 -22924.2 -22000.0 58.801 0.0 18.096559 -0.833611 -0.427326 -122.640534 1800.00 MgF,gas MgF MgF F(1)Mg(1) JA85 02.May.23 -62800.9 -56599.9 52.841 0.0 10.106178 -0.125751 -0.305499 -33.628043 1800.00 MoF,gas MoF MoF F(1)Mo(1) JA85 02.May.23 59305.4 67599.9 58.891 0.0 9.702375 -0.036445 -0.429275 -24.329716 1800.00 NF,gas NF NF F(1)N(1) JA85 02.May.23 58211.8 59500.0 51.452 0.0 11.822005 -0.439797 0.545954 -87.378689 1800.00 ONF,gas ONF ONF F(1)N(1)O(1) JA85 02.May.23 -12016.5 -15700.0 59.293 0.0 18.656187 -0.700473 0.980861 -166.862363 1800.00 NO2F,gas NO2F NO2F F(1)N(1)O(2) JA85 02.May.23 -15874.3 -26000.0 62.201 0.0 30.197038 -1.762292 1.467201 -335.241055 1800.00 FONO2,gas FONO2 FONO2 F(1)N(1)O(3) JA85 02.May.23 17606.1 2500.0 70.013 0.0 39.265521 -2.410722 1.322630 -422.571052 1800.00 NaF,gas NaF NaF F(1)Na(1) JA85 02.May.23 -74034.7 -69419.9 52.010 0.0 9.431159 0.062131 -0.416508 -13.932419 1800.00 OF,gas OF OF F(1)O(1) JA85 02.May.23 25093.0 26000.0 51.792 0.0 11.584882 -0.360163 0.385563 -79.443148 1800.00 OTiF,gas OTiF OTiF F(1)O(1)Ti(1) JA85 02.May.23 -104675.9 -103539.9 59.911 0.0 18.224394 -0.666440 -0.760259 -96.737499 1800.00 O2F,gas O2F O2F F(1)O(2) JA85 02.May.23 6379.5 3000.0 61.930 0.0 18.262917 -0.743862 0.645710 -140.877314 1800.00 PF,gas PF PF F(1)P(1) JA85 02.May.23 -18366.6 -12488.0 53.769 0.0 9.855988 0.045661 -0.323365 -33.871235 1800.00 PSF,gas PSF PSF F(1)P(1)S(1) JA85 02.May.23 -48526.3 -41173.0 66.376 0.0 17.565256 -0.728744 -0.487893 -106.980838 1800.00 PbF,gas PbF PbF F(1)Pb(1) JA85 02.May.23 -25153.9 -19184.0 59.741 0.0 8.637909 0.276617 -0.619712 3.297609 1800.00 SF,gas SF SF F(1)S(1) JA85 02.May.23 -3443.4 3099.9 53.842 0.0 9.264639 0.017239 -0.287974 -9.427979 1800.00 SiF,gas SiF SiF F(1)Si(1) JA85 02.May.23 -12322.9 -4800.0 53.964 0.0 10.659077 -0.259918 0.115673 -50.353653 1800.00 SrF,gas SrF SrF F(1)Sr(1) JA85 02.May.23 -76302.6 -70400.1 57.342 0.0 9.306529 0.031108 -0.415777 -10.505775 1800.00 TiF,gas TiF TiF F(1)Ti(1) JA85 02.May.23 -23493.3 -16000.0 56.718 0.0 12.732165 -0.538552 -0.805769 -56.093002 1800.00 WF,gas WF WF F(1)W(1) JA85 02.May.23 83956.5 92300.0 60.024 0.0 14.512842 -1.540725 -0.549784 -92.175188 1800.00 ZrF,gas ZrF ZrF F(1)Zr(1) JA85 02.May.23 12426.6 19800.0 58.254 0.0 10.240061 0.775202 0.262100 -47.648101 1800.00 FeF2,gas FeF2 FeF2 F(2)Fe(1) JA85 02.May.23 -95600.9 -93099.9 63.386 0.0 13.212890 0.314412 -4.221676 81.314580 1800.00 SiH2F2,gas SiH2F2 SiH2F2 F(2)H(2)Si(1) JA85 02.May.23 -182575.3 -189000.0 62.651 0.0 39.627331 -1.965880 2.481571 -498.424914 1800.00 HgF2,gas HgF2 HgF2 F(2)Hg(1) JA85 02.May.23 -69680.4 -70185.0 64.947 0.0 16.283720 -0.284436 -0.911145 -39.442568 1800.00 (KF)2,gas (KF)2 (KF)2 F(2)K(2) JA85 02.May.23 -205332.5 -206200.0 76.471 0.0 20.022015 -0.031646 -0.890153 -4.221915 1800.00 (LiF)2,gas (LiF)2 (LiF)2 F(2)Li(2) JA85 02.May.23 -225164.0 -225330.1 61.813 0.0 23.026300 -0.650955 -2.263494 -90.102282 1800.00 MgF2,gas MgF2 MgF2 F(2)Mg(1) JA85 02.May.23 -175199.8 -173700.0 61.307 0.0 16.240823 -0.467316 -0.572673 -67.945379 1800.00 MoF2,gas MoF2 MoF2 F(2)Mo(1) JA85 02.May.23 -41788.7 -38900.1 64.993 0.0 14.868924 0.014861 -1.062185 -0.039129 1800.00 NF2,gas NF2 NF2 F(2)N(1) JA85 02.May.23 13566.4 10099.9 59.739 0.0 19.455558 -1.081686 0.168762 -164.798673 1800.00 FNNF,gas FNNF FNNF F(2)N(2) JA85 02.May.23 25990.7 16400.1 62.096 0.0 30.079025 -1.898625 0.500505 -313.634072 1800.00 FNNF,gas FNNF FNNF F(2)N(2) JA85 02.May.23 28787.8 19400.1 62.777 0.0 29.243619 -1.672820 1.019377 -295.778363 1800.00 (NaF)2,gas (NaF)2 (NaF)2 F(2)Na(2) JA85 02.May.23 -200993.5 -202300.0 68.682 0.0 21.018863 -0.239493 -1.909483 -32.484956 1800.00 OF2,gas OF2 OF2 F(2)O(1) JA85 02.May.23 9986.4 5859.9 59.144 0.0 18.048700 -0.824310 -0.402932 -121.216860 1800.00 OSF2,gas OSF2 OSF2 F(2)O(1)S(1) JA85 02.May.23 -125846.6 -130000.0 66.714 0.0 27.022521 -1.359965 -0.410756 -216.361229 1800.00 OSiF2,gas OSiF2 OSiF2 F(2)O(1)Si(1) JA85 02.May.23 -227227.8 -231000.0 64.830 0.0 28.528637 -1.624098 0.064736 -264.372450 1800.00 OTiF2,gas OTiF2 OTiF2 F(2)O(1)Ti(1) JA85 02.May.23 -217384.1 -221050.0 68.040 0.0 23.992573 -0.833051 -1.639693 -119.451616 1800.00 SO2F2,gas SO2F2 SO2F2 F(2)O(2)S(1) JA85 02.May.23 -170157.3 -181300.0 67.788 0.0 38.356021 -2.315433 0.353557 -386.135262 1800.00 PF2,gas PF2 PF2 F(2)P(1) JA85 02.May.23 -118056.4 -116696.0 62.848 0.0 17.508738 -0.720496 -0.482491 -105.007846 1800.00 PbF2,gas PbF2 PbF2 F(2)Pb(1) JA85 02.May.23 -105789.9 -104000.0 69.955 0.0 14.892773 -0.203637 -0.925912 -27.971942 1800.00 SF2,gas SF2 SF2 F(2)S(1) JA85 02.May.23 -72528.9 -70900.1 61.592 0.0 17.352894 -0.691117 -0.554889 -100.277514 1800.00 FSSF,gas FSSF FSSF F(2)S(2) JA85 02.May.23 -82346.8 -80409.9 70.287 0.0 22.963135 -0.632688 -1.658062 -88.823965 1800.00 SSF2,gas SSF2 SSF2 F(2)S(2) JA85 02.May.23 -97787.5 -95940.0 69.987 0.0 23.809829 -0.802349 -1.717242 -113.517679 1800.00 SiF2,gas SiF2 SiF2 F(2)Si(1) JA85 02.May.23 -142991.9 -140500.0 61.324 0.0 17.707223 -0.757493 -0.381062 -111.079283 1800.00 SrF2,gas SrF2 SrF2 F(2)Sr(1) JA85 02.May.23 -185468.0 -183099.9 69.722 0.0 14.430592 -0.108579 -0.785311 -14.738751 1800.00 TiF2,gas TiF2 TiF2 F(2)Ti(1) JA85 02.May.23 -166077.7 -164500.0 61.111 0.0 13.563002 0.727383 -1.949110 17.758572 1800.00 ZrF2,gas ZrF2 ZrF2 F(2)Zr(1) JA85 02.May.23 -136376.9 -133400.1 67.742 0.0 12.916311 0.657268 -1.737449 7.702435 1800.00 FeF3,gas FeF3 FeF3 F(3)Fe(1) JA85 02.May.23 -194256.9 -196200.0 72.714 0.0 23.734625 -0.781208 -1.221847 -111.933503 1800.00 SiHF3,gas SiHF3 SiHF3 F(3)H(1)Si(1) JA85 02.May.23 -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 F(3)Li(3) JA85 02.May.23 -357392.9 -362620.0 76.025 0.0 36.966119 -1.058484 -3.182006 -148.576702 1800.00 MoF3,gas MoF3 MoF3 F(3)Mo(1) JA85 02.May.23 -142476.1 -145099.9 70.738 0.0 21.890413 0.304094 -1.533471 -72.914194 1800.00 NF3,gas NF3 NF3 F(3)N(1) JA85 02.May.23 -21649.6 -31570.0 62.326 0.0 28.170904 -1.642862 -0.731742 -244.151281 1800.00 NF3O,gas NF3O NF3O F(3)N(1)O(1) JA85 02.May.23 -23032.7 -39000.0 66.561 0.0 36.211672 -1.888574 -0.617597 -323.969396 1800.00 POF3,gas POF3 POF3 F(3)O(1)P(1) JA85 02.May.23 -288198.9 -299772.9 68.215 0.0 37.387425 -2.184849 -0.001810 -350.908452 1800.00 PF3,gas PF3 PF3 F(3)P(1) JA85 02.May.23 -223928.3 -229072.9 65.264 0.0 26.082446 -1.241459 -1.072358 -181.459562 1800.00 PSF3,gas PSF3 PSF3 F(3)P(1)S(1) JA85 02.May.23 -235530.8 -241173.0 71.257 0.0 34.470184 -1.710383 -1.307595 -254.003629 1800.00 SF3,gas SF3 SF3 F(3)S(1) JA85 02.May.23 -116659.4 -120227.1 68.397 0.0 23.842975 -0.805421 -1.708449 -114.849523 1800.00 SiF3,gas SiF3 SiF3 F(3)Si(1) JA85 02.May.23 -256505.3 -259400.1 67.491 0.0 26.405906 -1.292208 -0.586916 -192.332373 1800.00 TiF3,gas TiF3 TiF3 F(3)Ti(1) JA85 02.May.23 -281000.0 -284099.9 69.656 0.0 24.045219 -0.853027 -2.613592 -89.974367 1800.00 ZrF3,gas ZrF3 ZrF3 F(3)Zr(1) JA85 02.May.23 -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 F(4)Mg(2) JA85 02.May.23 -401158.0 -410700.0 80.548 0.0 35.200757 -0.701265 -3.269234 -97.438537 1800.00 MoF4,gas MoF4 MoF4 F(4)Mo(1) JA85 02.May.23 -219000.5 -226500.0 78.619 0.0 30.868342 -1.016011 -1.578956 -145.859730 1800.00 MoF4O,gas MoF4O MoF4O F(4)Mo(1)O(1) JA85 02.May.23 -285310.5 -300000.0 79.019 0.0 39.628159 -1.571393 -2.538111 -228.336392 1800.00 N2F4,gas N2F4 N2F4 F(4)N(2) JA85 02.May.23 19092.5 -2000.0 71.986 0.0 46.844691 -2.975323 -1.279206 -443.139443 1800.00 WF4O,gas WF4O WF4O F(4)O(1)W(1) JA85 02.May.23 -304772.9 -319460.1 79.996 0.0 39.987433 -1.642482 -2.484018 -238.913257 1800.00 PbF4,gas PbF4 PbF4 F(4)Pb(1) JA85 02.May.23 -261154.4 -270900.1 79.733 0.0 28.246559 -0.498882 -2.127793 -68.834047 1800.00 SF4,gas SF4 SF4 F(4)S(1) JA85 02.May.23 -172566.9 -182400.1 71.617 0.0 32.427973 -1.329586 -2.158948 -191.525403 1800.00 ZrF4,gas ZrF4 ZrF4 F(4)Zr(1) JA85 02.May.23 -391097.5 -400000.0 76.366 0.0 29.578589 -0.767349 -2.007633 -107.525285 1800.00 IF5,gas IF5 IF5 F(5)I(1) JA85 02.May.23 -184423.0 -200840.1 79.986 0.0 36.502816 -0.967798 -3.419596 -134.843407 1800.00 MoF5,gas MoF5 MoF5 F(5)Mo(1) JA85 02.May.23 -283308.6 -296700.0 83.092 0.0 37.706796 -1.386433 -4.103277 -141.355551 1800.00 PF5,gas PF5 PF5 F(5)P(1) JA85 02.May.23 -363454.8 -381072.9 71.895 0.0 44.115179 -2.444321 -1.963094 -361.905359 1800.00 SF5,gas SF5 SF5 F(5)S(1) JA85 02.May.23 -200429.5 -217124.0 72.837 0.0 39.810691 -1.591593 -3.959859 -233.233874 1800.00 MoF6,gas MoF6 MoF6 F(6)Mo(1) JA85 02.May.23 -351891.0 -372289.9 83.822 0.0 45.024920 -1.480665 -3.328533 -209.538247 1800.00 SF6,gas SF6 SF6 F(6)S(1) JA85 02.May.23 -266838.2 -291700.0 69.679 0.0 51.584177 -2.779051 -3.860379 -402.522147 1800.00 WF6,gas WF6 WF6 F(6)W(1) JA85 02.May.23 -390129.3 -411500.0 81.531 0.0 44.944506 -1.465728 -3.653108 -207.069831 1800.00 IF7,gas IF7 IF7 F(7)I(1) JA85 02.May.23 -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 F(10)Mo(2) JA85 02.May.23 -606348.2 -644800.0 127.044 0.0 81.121996 -2.764884 -6.229106 -390.551970 1800.00 S2F10,gas S2F10 S2F10 F(10)S(2) JA85 02.May.23 -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 F(15)Mo(3) JA85 02.May.23 -907574.1 -971700.0 168.940 0.0 123.672997 -4.147861 -9.448487 -585.911212 1800.00 Fe,gas Fe Fe Fe(1) JA85 02.May.23 88385.3 99300.0 43.138 0.0 0.146718 1.228282 -1.811955 132.162965 1800.00 Fe(OH)2,gas Fe(OH)2 Fe(OH)2 Fe(1)H(2)O(2) JA85 02.May.23 -73294.9 -79000.0 67.660 0.0 28.476295 0.485792 -1.551416 -168.332458 1800.00 FeI2,gas FeI2 FeI2 Fe(1)I(2) JA85 02.May.23 6310.9 21000.0 83.556 0.0 12.656894 1.224869 -0.673370 39.405597 1800.00 FeO,gas FeO FeO Fe(1)O(1) JA85 02.May.23 52017.0 60000.0 57.821 0.0 10.571007 -0.210564 -0.101578 -50.047429 1800.00 FeS,gas FeS FeS Fe(1)S(1) JA85 02.May.23 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 Fe(2)I(4) JA85 02.May.23 -16281.3 2000.0 129.893 0.0 28.874681 1.479024 -0.922605 53.490677 1800.00 Ga,gas Ga Ga Ga(1) JA85 02.May.23 55864.2 65000.0 40.402 0.0 -0.186539 0.838404 -3.361716 168.475100 1800.00 H,gas H H H(1) JA85 02.May.23 48584.6 52103.0 27.418 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 HgH,gas HgH HgH H(1)Hg(1) JA85 02.May.23 51417.8 57000.0 52.511 0.0 12.331880 -0.127598 0.998410 -107.752005 1800.00 HI,gas HI HI H(1)I(1) JA85 02.May.23 372.8 6300.0 49.376 0.0 10.188244 0.246067 1.433093 -84.287980 1800.00 SiHI3,gas SiHI3 SiHI3 H(1)I(3)Si(1) JA85 02.May.23 -26111.4 -17800.0 89.629 0.0 30.140400 -0.504278 -0.142949 -168.771441 1800.00 KH,gas KH KH H(1)K(1) JA85 02.May.23 24553.3 29400.1 47.329 0.0 11.286050 -0.233319 0.206135 -69.750935 1800.00 KOH,gas KOH KOH H(1)K(1)O(1) JA85 02.May.23 -55870.5 -55599.9 56.496 0.0 11.742681 1.095128 -0.990079 11.224489 1800.00 LiH,gas LiH LiH H(1)Li(1) JA85 02.May.23 28159.7 33609.9 40.848 0.0 12.480651 -0.397061 1.196682 -114.026522 1800.00 LiOH,gas LiOH LiOH H(1)Li(1)O(1) JA85 02.May.23 -56973.5 -56000.0 50.349 0.0 12.305508 0.972219 -1.116663 -5.402375 1800.00 MgH,gas MgH MgH H(1)Mg(1) JA85 02.May.23 33616.9 40400.1 46.176 0.0 12.508789 -0.392368 1.332578 -117.738876 1800.00 MgOH,gas MgOH MgOH H(1)Mg(1)O(1) JA85 02.May.23 -41221.1 -39377.4 54.125 0.0 13.184783 0.795489 -1.213634 -30.636932 1800.00 NH,gas NH NH H(1)N(1) JA85 02.May.23 88567.2 90000.0 43.321 0.0 6.347752 1.142461 0.341580 -1.537882 1800.00 HNO,gas HNO HNO H(1)N(1)O(1) JA85 02.May.23 26863.8 23800.0 52.754 0.0 18.970233 -0.331257 2.756439 -236.097867 1800.00 HONO-CIS,gas HONO HONO H(1)N(1)O(2) JA85 02.May.23 -10011.5 -18340.1 59.612 0.0 26.613005 -0.609013 1.828853 -304.734899 1800.00 HONO-TRA,gas HONO HONO H(1)N(1)O(2) JA85 02.May.23 -10500.5 -18840.1 59.575 0.0 25.722453 -0.445774 1.463758 -280.248356 1800.00 HONO2,gas HONO2 HONO2 H(1)N(1)O(3) JA85 02.May.23 -17672.3 -32099.9 63.671 0.0 37.868844 -1.576495 2.354425 -471.613699 1800.00 NaH,gas NaH NaH H(1)Na(1) JA85 02.May.23 24598.2 29700.0 45.026 0.0 11.997236 -0.338880 0.672323 -93.578147 1800.00 NaOH,gas NaOH NaOH H(1)Na(1)O(1) JA85 02.May.23 -47911.8 -47265.1 54.599 0.0 11.701972 1.097893 -1.033018 12.072929 1800.00 OH,gas OH OH H(1)O(1) JA85 02.May.23 8192.4 9318.1 43.907 0.0 5.204188 1.313159 0.076455 25.817178 1800.00 SrOH,gas SrOH SrOH H(1)O(1)Sr(1) JA85 02.May.23 -50752.2 -49120.0 58.918 0.0 12.127702 1.013481 -1.270703 -0.246391 1800.00 HOO,gas HOO HOO H(1)O(2) JA85 02.May.23 3448.9 500.0 54.758 0.0 15.884441 0.451327 1.482896 -161.405996 1800.00 PH,gas PH PH H(1)P(1) JA85 02.May.23 54191.9 60599.9 46.927 0.0 9.305801 0.576157 1.203778 -66.331473 1800.00 PbH,gas PbH PbH H(1)Pb(1) JA85 02.May.23 49991.6 56450.0 52.762 0.0 11.675137 -0.092707 1.199299 -102.781193 1800.00 HS,gas HS HS H(1)S(1) JA85 02.May.23 25157.7 33300.0 46.756 0.0 7.309570 0.897981 0.937975 -14.621323 1800.00 SiH,gas SiH SiH H(1)Si(1) JA85 02.May.23 81909.2 90024.4 47.333 0.0 11.267816 -0.021580 1.777294 -104.458186 1800.00 ZrH,gas ZrH ZrH H(1)Zr(1) JA85 02.May.23 115422.6 123400.1 51.663 0.0 12.465617 -0.456549 1.188374 -113.480735 1800.00 SiH2I2,gas SiH2I2 SiH2I2 H(2)I(2)Si(1) JA85 02.May.23 -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 H(2)K(2)O(2) JA85 02.May.23 -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 H(2)Li(2)O(2) JA85 02.May.23 -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 H(2)Mg(1)O(2) JA85 02.May.23 -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 H(2)Mo(1)O(4) JA85 02.May.23 -188153.4 -203400.1 84.995 0.0 46.409727 -0.942546 0.214002 -371.125261 1800.00 NH2,gas NH2 NH2 H(2)N(1) JA85 02.May.23 47764.3 45500.0 46.536 0.0 12.254163 1.523692 2.028926 -119.936805 1800.00 HNNH,gas HNNH HNNH H(2)N(2) JA85 02.May.23 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 H(2)Na(2)O(2) JA85 02.May.23 -135840.8 -145200.0 73.469 0.0 37.947600 -0.081211 2.150887 -369.523809 1800.00 H2O,gasJA85 H2O H2O H(2)O(1) JA85 02.May.23 -54632.4 -57797.8 45.132 0.0 9.680902 2.071256 1.241950 -63.075256 1800.00 HOOH,gas HOOH HOOH H(2)O(2) JA85 02.May.23 -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 H(2)O(2)Sr(1) JA85 02.May.23 -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 H(2)O(4)S(1) JA85 02.May.23 -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 H(2)O(4)W(1) JA85 02.May.23 -200706.5 -216500.0 84.130 0.0 48.489199 -1.310544 0.482532 -416.673235 1800.00 PH2,gas PH2 PH2 H(2)P(1) JA85 02.May.23 28914.7 30099.9 50.825 0.0 18.355629 -0.060781 3.022715 -231.155172 1800.00 H2S,gasJA85 H2S H2S H(2)S(1) JA85 02.May.23 -7965.8 -4900.1 49.177 0.0 16.361634 0.647756 2.924679 -201.116939 1800.00 SiH3I,gas SiH3I SiH3I H(3)I(1)Si(1) JA85 02.May.23 -365.4 -500.0 64.776 0.0 38.253975 -1.356829 3.570787 -497.843014 1800.00 NH3,gas NH3 NH3 H(3)N(1) JA85 02.May.23 -3911.8 -10969.9 46.074 0.0 20.150556 1.834883 3.557058 -278.943764 1800.00 PH3,gas PH3 PH3 H(3)P(1) JA85 02.May.23 7383.6 5469.9 50.249 0.0 31.024536 -0.932636 5.489196 -483.577081 1800.00 N2H4,gas N2H4 N2H4 H(4)N(2) JA85 02.May.23 38057.4 22789.9 57.055 0.0 38.055927 0.913936 3.144715 -513.076009 1800.00 SiH4,gas SiH4 SiH4 H(4)Si(1) JA85 02.May.23 13582.0 8200.0 48.913 0.0 43.002432 -1.922235 6.520787 -681.745480 1800.00 Hf,gas Hf Hf Hf(1) JA85 02.May.23 137585.8 147800.0 44.669 0.0 8.758812 0.572959 1.933228 -105.179472 1800.00 Hg,gasJA85 Hg Hg Hg(1) JA85 02.May.23 7619.5 14670.2 41.819 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 HgI,gas HgI HgI Hg(1)I(1) JA85 02.May.23 21449.6 31900.1 67.101 0.0 8.943378 0.601544 -0.051626 -0.032894 1800.00 HgI2,gas HgI2 HgI2 Hg(1)I(2) JA85 02.May.23 -14119.0 -3854.9 80.355 0.0 14.934607 -0.006546 -0.245178 -0.856033 1800.00 HgO,gas HgO HgO Hg(1)O(1) JA85 02.May.23 5684.5 10000.0 57.161 0.0 9.939801 -0.097244 -0.350399 -28.722632 1800.00 I,gas I I I(1) JA85 02.May.23 16772.0 25516.7 43.209 0.0 4.470508 0.184930 -0.142203 10.349450 1800.00 KI,gas KI KI I(1)K(1) JA85 02.May.23 -39658.7 -30000.0 61.731 0.0 8.953864 0.193686 -0.107547 -0.316296 1800.00 LiI,gas LiI LiI I(1)Li(1) JA85 02.May.23 -32090.1 -21750.0 55.512 0.0 9.327962 0.089087 -0.408248 -10.965295 1800.00 MgI,gas MgI MgI I(1)Mg(1) JA85 02.May.23 -5654.4 5882.9 60.384 0.0 9.017149 0.118778 -0.252776 -2.106525 1800.00 MoI,gas MoI MoI I(1)Mo(1) JA85 02.May.23 105496.9 119200.0 66.676 0.0 8.628636 0.240248 -0.224730 6.630277 1800.00 ONI,gas ONI ONI I(1)N(1)O(1) JA85 02.May.23 24910.9 26800.0 67.629 0.0 17.276693 -0.443334 1.116501 -124.154831 1800.00 PbI,gas PbI PbI I(1)Pb(1) JA85 02.May.23 14545.4 25750.0 66.944 0.0 8.244634 0.369834 -0.287631 14.579710 1800.00 SiI,gas SiI SiI I(1)Si(1) JA85 02.May.23 62348.9 74959.1 60.673 0.0 6.508435 0.540291 -1.733193 79.556545 1800.00 SrI,gas SrI SrI I(1)Sr(1) JA85 02.May.23 -18579.3 -7288.2 65.060 0.0 8.906918 0.165696 -0.108920 0.711403 1800.00 TiI,gas TiI TiI I(1)Ti(1) JA85 02.May.23 52673.5 65500.0 64.251 0.0 12.105225 -0.322360 -0.563511 -38.138128 1800.00 ZrI,gas ZrI ZrI I(1)Zr(1) JA85 02.May.23 128554.3 141300.0 65.919 0.0 8.962450 0.213852 -0.148220 -0.569328 1800.00 I2,gas I2 I2 I(2) JA85 02.May.23 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 I(2)K(2) JA85 02.May.23 -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 I(2)Li(2) JA85 02.May.23 -97639.1 -86500.0 79.022 0.0 20.291392 -0.088166 -1.251982 -11.828883 1800.00 MgI2,gas MgI2 MgI2 I(2)Mg(1) JA85 02.May.23 -50319.8 -38300.0 75.882 0.0 15.128624 -0.046912 -0.442405 -6.361933 1800.00 MoI2,gas MoI2 MoI2 I(2)Mo(1) JA85 02.May.23 47736.9 61599.9 81.092 0.0 12.643002 -0.002220 -2.318677 117.975086 1800.00 PbI2,gas PbI2 PbI2 I(2)Pb(1) JA85 02.May.23 -13488.8 -760.0 85.935 0.0 13.918297 -0.001795 -0.119956 -0.216666 1800.00 SiI2,gas SiI2 SiI2 I(2)Si(1) JA85 02.May.23 8845.1 22099.9 76.714 0.0 14.136799 -0.047394 -0.620909 -6.396696 1800.00 SrI2,gas SrI2 SrI2 I(2)Sr(1) JA85 02.May.23 -77651.5 -65700.0 81.155 0.0 14.925065 -0.004457 -0.190973 -0.594294 1800.00 TiI2,gas TiI2 TiI2 I(2)Ti(1) JA85 02.May.23 -17296.6 -4700.0 77.360 0.0 12.371935 0.973105 -1.065810 51.785349 1800.00 ZrI2,gas ZrI2 ZrI2 I(2)Zr(1) JA85 02.May.23 -29451.0 -15928.1 82.405 0.0 13.927620 -0.003607 -0.193871 -0.490785 1800.00 MoI3,gas MoI3 MoI3 I(3)Mo(1) JA85 02.May.23 29397.2 43700.0 96.446 0.0 19.311881 0.834055 -0.106255 0.952206 1800.00 SiI3,gas SiI3 SiI3 I(3)Si(1) JA85 02.May.23 -4762.2 8440.2 90.417 0.0 20.291840 -0.088034 -1.007056 -11.859980 1800.00 TiI3,gas TiI3 TiI3 I(3)Ti(1) JA85 02.May.23 -48526.5 -35900.1 91.339 0.0 19.888385 -0.013592 -2.095697 30.600929 1800.00 ZrI3,gas ZrI3 ZrI3 I(3)Zr(1) JA85 02.May.23 -66161.3 -53000.0 95.071 0.0 19.924541 -0.011110 -0.461846 -1.479462 1800.00 MoI4,gas MoI4 MoI4 I(4)Mo(1) JA85 02.May.23 16123.6 29800.0 108.225 0.0 25.879791 -0.004448 -0.643646 -1.574867 1800.00 PbI4,gas PbI4 PbI4 I(4)Pb(1) JA85 02.May.23 -65706.0 -53648.9 111.440 0.0 25.858962 -0.005532 -0.362037 -0.705217 1800.00 SiI4,gas SiI4 SiI4 I(4)Si(1) JA85 02.May.23 -38182.4 -26400.1 99.534 0.0 26.411079 -0.120980 -1.241106 -16.324345 1800.00 TiI4,gas TiI4 TiI4 I(4)Ti(1) JA85 02.May.23 -78386.2 -66270.1 103.507 0.0 25.955172 -0.025725 -0.740737 -3.417431 1800.00 ZrI4,gas ZrI4 ZrI4 I(4)Zr(1) JA85 02.May.23 -99099.7 -86599.9 106.731 0.0 25.941903 -0.022884 -0.677536 -3.046770 1800.00 K,gas K K K(1) JA85 02.May.23 14454.1 21271.5 38.322 0.0 4.846652 0.041848 -0.037665 2.594653 1800.00 KO,gas KO KO K(1)O(1) JA85 02.May.23 11956.0 17000.0 56.890 0.0 9.055409 0.203170 -0.295393 -3.192663 1800.00 K2,gas K2 K2 K(2) JA85 02.May.23 20984.9 29560.9 59.677 0.0 14.545981 -3.458266 0.066810 -78.519181 1800.00 K2SO4,gas K2SO4 K2SO4 K(2)O(4)S(1) JA85 02.May.23 -246853.5 -261500.0 87.512 0.0 51.752204 -2.717290 -0.746222 -417.319344 1800.00 Li,gas Li Li Li(1) JA85 02.May.23 30256.7 38073.6 33.169 0.0 4.932906 0.011833 -0.011121 0.755572 1800.00 LiN,gas LiN LiN Li(1)N(1) JA85 02.May.23 74060.2 80000.0 49.772 0.0 10.017018 -0.021682 -0.331183 -31.007340 1800.00 LiON,gas LiON LiON Li(1)N(1)O(1) JA85 02.May.23 41726.6 43000.0 58.636 0.0 18.385537 -0.813172 0.482601 -139.459718 1800.00 LiONa,gas LiONa LiONa Li(1)Na(1)O(1) JA85 02.May.23 -30226.6 -25000.0 61.295 0.0 18.580417 -0.917468 -0.028696 -138.099958 1800.00 LiO,gas LiO LiO Li(1)O(1) JA85 02.May.23 14448.9 20099.9 50.421 0.0 10.219554 -0.119864 -0.270460 -36.976255 1800.00 Li2,gas Li2 Li2 Li(2) JA85 02.May.23 41708.4 51601.3 47.084 0.0 15.332738 -1.980455 1.458751 -133.360805 1800.00 Li2O,gas Li2O Li2O Li(2)O(1) JA85 02.May.23 -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 Li(2)O(2) JA85 02.May.23 -58730.2 -58000.0 65.383 0.0 20.761605 -0.185547 -1.661800 -25.218258 1800.00 Li2SO4,gas Li2SO4 Li2SO4 Li(2)O(4)S(1) JA85 02.May.23 -236337.2 -249000.0 77.156 0.0 53.073270 -2.970362 -1.280911 -457.112064 1800.00 Mg,gas Mg Mg Mg(1) JA85 02.May.23 26893.4 35157.7 35.528 0.0 4.966878 0.000353 -0.000364 0.023980 1800.00 MgN,gas MgN MgN Mg(1)N(1) JA85 02.May.23 62133.4 69000.0 53.737 0.0 10.022746 -0.102183 -0.329425 -31.162929 1800.00 MgO,gas MgO MgO Mg(1)O(1) JA85 02.May.23 8340.1 13900.1 50.973 0.0 53.777905 -11.323896 12.335516 -975.729095 1800.00 MgS,gas MgS MgS Mg(1)S(1) JA85 02.May.23 23254.5 34710.1 53.892 0.0 47.541113 -10.790638 7.905622 -777.784073 1800.00 Mg2,gas Mg2 Mg2 Mg(2) JA85 02.May.23 56284.7 68744.0 57.406 0.0 4.845689 0.038917 0.705086 2.682242 1800.00 Mn,gas Mn Mn Mn(1) JA85 02.May.23 57602.1 67700.0 41.519 0.0 4.952361 0.005224 -0.004996 0.337408 1800.00 Mo,gas Mo Mo Mo(1) JA85 02.May.23 146572.7 157500.0 43.487 0.0 4.491447 0.165537 -0.146526 10.160309 1800.00 MoO,gas MoO MoO Mo(1)O(1) JA85 02.May.23 66440.7 74321.0 57.783 0.0 9.167128 0.038043 0.006046 -9.956854 1800.00 MoO2,gas MoO2 MoO2 Mo(1)O(2) JA85 02.May.23 -5068.4 -1987.1 66.202 0.0 18.157976 -0.825757 -0.071967 -125.916601 1800.00 MoO3,gas MoO3 MoO3 Mo(1)O(3) JA85 02.May.23 -79064.1 -82800.0 67.853 0.0 26.750288 -1.354538 -0.376663 -203.063951 1800.00 N,gas N N N(1) JA85 02.May.23 108876.7 112973.9 36.640 0.0 4.966906 0.000347 -0.000353 0.023321 1800.00 NO,gas NO NO N(1)O(1) JA85 02.May.23 20697.9 21580.1 50.372 0.0 11.688417 -0.229799 1.756817 -111.307720 1800.00 NO2,gasJA85 NO2 NO2 N(1)O(2) JA85 02.May.23 12251.0 7909.9 57.370 0.0 22.126499 -1.365771 2.464779 -270.313079 1800.00 NO3,gas NO3 NO3 N(1)O(3) JA85 02.May.23 27753.6 17000.0 60.377 0.0 31.821786 -2.313690 0.637472 -357.004621 1800.00 PN,gas PN PN N(1)P(1) JA85 02.May.23 19751.7 25043.0 50.463 0.0 12.394656 -0.563709 1.069351 -109.329514 1800.00 NS,gas NS NS N(1)S(1) JA85 02.May.23 56285.4 63000.0 53.080 0.0 11.921726 -0.481420 1.058130 -92.791877 1800.00 SiN,gas SiN SiN N(1)Si(1) JA85 02.May.23 81718.2 89000.0 51.819 0.0 8.304420 0.969754 -0.300182 -18.446923 1800.00 Si2N,gas Si2N Si2N N(1)Si(2) JA85 02.May.23 86232.1 95000.0 61.302 0.0 18.130481 -0.635949 -0.461068 -95.206569 1800.00 VN,gas VN VN N(1)V(1) JA85 02.May.23 117258.1 125000.0 55.780 0.0 12.042381 -0.540907 0.091706 -78.670974 1800.00 ZrN,gas ZrN ZrN N(1)Zr(1) JA85 02.May.23 163458.7 170500.0 55.805 0.0 10.656206 -0.269626 -0.103161 -50.092517 1800.00 N2O,gas N2O N2O N(2)O(1) JA85 02.May.23 24899.4 19609.9 52.571 0.0 21.009068 -0.783267 1.597771 -230.218892 1800.00 N2O3,gas N2O3 N2O3 N(2)O(3) JA85 02.May.23 33395.6 19800.0 73.743 0.0 37.157662 -1.974631 2.759796 -414.191935 1800.00 N2O4,gas N2O4 N2O4 N(2)O(4) JA85 02.May.23 23371.7 2169.9 72.748 0.0 49.812745 -3.034173 3.254609 -589.058208 1800.00 N2O5,gas N2O5 N2O5 N(2)O(5) JA85 02.May.23 28205.8 2700.0 82.827 0.0 52.512022 -3.344374 -0.432954 -484.416805 1800.00 N3,gas N3 N3 N(3) JA85 02.May.23 103343.0 99000.0 54.127 0.0 21.922290 -1.121342 1.645644 -236.463876 1800.00 Na,gas Na Na Na(1) JA85 02.May.23 18361.6 25645.3 36.727 0.0 4.959295 0.002917 -0.002762 0.187213 1800.00 NaO,gas NaO NaO Na(1)O(1) JA85 02.May.23 14647.9 20000.0 54.764 0.0 9.196197 0.146816 -0.377483 -7.198354 1800.00 Na2,gas Na2 Na2 Na(2) JA85 02.May.23 24881.7 33955.5 55.029 0.0 18.722494 -3.303697 2.487643 -198.880554 1800.00 Na2SO4,gas Na2SO4 Na2SO4 Na(2)O(4)S(1) JA85 02.May.23 -232901.8 -247039.9 82.900 0.0 52.191846 -2.806404 -1.121156 -430.054660 1800.00 Nb,gas Nb Nb Nb(1) JA85 02.May.23 164525.6 175200.0 44.517 0.0 2.141136 0.641760 -1.436205 111.943800 1800.00 NbO,gas NbO NbO Nb(1)O(1) JA85 02.May.23 40378.3 47500.0 57.117 0.0 11.326935 -0.415667 0.237123 -71.147009 1800.00 NbO2,gas NbO2 NbO2 Nb(1)O(2) JA85 02.May.23 -50031.1 -47800.0 65.230 0.0 18.469665 -0.895308 0.073786 -134.862541 1800.00 Ni,gas Ni Ni Ni(1) JA85 02.May.23 91945.7 102800.0 43.544 0.0 8.352357 -0.897323 0.287417 -48.978482 1800.00 NiS,gas NiS NiS Ni(1)S(1) JA85 02.May.23 71860.4 85425.2 60.297 0.0 15.834580 -1.618122 0.751426 -137.714855 1800.00 O,gas O O O(1) JA85 02.May.23 55386.2 59553.8 38.494 0.0 4.835592 0.027497 0.154845 3.794861 1800.00 PO,gas PO PO O(1)P(1) JA85 02.May.23 -11266.5 -5628.1 53.245 0.0 11.957467 -0.492961 1.094257 -94.173891 1800.00 PbO,gas PbO PbO O(1)Pb(1) JA85 02.May.23 11620.9 16800.0 57.371 0.0 10.118006 -0.159089 -0.302070 -33.978892 1800.00 SO,gas SO SO O(1)S(1) JA85 02.May.23 -5025.3 1196.7 53.046 0.0 10.753000 -0.037272 0.321113 -67.424679 1800.00 SSO,gas SSO SSO O(1)S(2) JA85 02.May.23 -22934.0 -13500.0 63.819 0.0 18.171874 -0.816689 0.022983 -128.210415 1800.00 SiO,gas SiO SiO O(1)Si(1) JA85 02.May.23 -30426.6 -24000.0 50.569 0.0 12.229514 -0.551979 0.879861 -102.118996 1800.00 SrO,gas SrO SrO O(1)Sr(1) JA85 02.May.23 -8315.7 -3200.0 54.985 0.0 1.074180 3.078093 -2.958157 158.550949 1800.00 TaO,gas TaO TaO O(1)Ta(1) JA85 02.May.23 39082.7 46000.0 57.628 0.0 10.783360 0.432403 0.522810 -72.218393 1800.00 TiO,gas TiO TiO O(1)Ti(1) JA85 02.May.23 5864.0 13000.0 55.802 0.0 11.547568 -0.455791 0.131292 -65.821287 1800.00 VO,gas VO VO O(1)V(1) JA85 02.May.23 23417.3 30500.0 55.187 0.0 11.340136 -0.390639 0.267267 -72.474677 1800.00 WO,gas WO WO O(1)W(1) JA85 02.May.23 93550.2 101599.9 59.321 0.0 11.524372 -0.441586 0.381936 -78.470326 1800.00 PO2,gas PO2 PO2 O(2)P(1) JA85 02.May.23 -75704.6 -75173.0 60.632 0.0 19.382521 -1.065865 0.211928 -162.783878 1800.00 SO2,gasJA85 SO2 SO2 O(2)S(1) JA85 02.May.23 -71731.6 -70946.9 59.324 0.0 20.792880 -1.087282 1.384576 -215.893004 1800.00 SiO2,gas SiO2 SiO2 O(2)Si(1) JA85 02.May.23 -73357.1 -73000.0 54.727 0.0 21.121066 -1.123031 0.875242 -194.484439 1800.00 TaO2,gas TaO2 TaO2 O(2)Ta(1) JA85 02.May.23 -50400.6 -48000.0 66.995 0.0 18.283630 -0.843953 0.000375 -130.116510 1800.00 TiO2,gas TiO2 TiO2 O(2)Ti(1) JA85 02.May.23 -74727.5 -73000.0 62.177 0.0 18.432873 -0.887811 0.100659 -133.786916 1800.00 WO2,gas WO2 WO2 O(2)W(1) JA85 02.May.23 14901.5 18300.0 68.236 0.0 18.558426 -0.910765 0.124692 -137.694590 1800.00 ZrO2,gas ZrO2 ZrO2 O(2)Zr(1) JA85 02.May.23 -70518.4 -68400.1 65.427 0.0 17.484626 -0.713148 -0.199599 -104.564751 1800.00 O3,gas O3 O3 O(3) JA85 02.May.23 39001.9 34099.9 57.106 0.0 20.378898 -1.101909 0.570545 -195.588735 1800.00 SO3,gasJA85 SO3 SO3 O(3)S(1) JA85 02.May.23 -88675.0 -94590.1 61.369 0.0 31.019126 -2.017005 1.637577 -348.289400 1800.00 WO3,gas WO3 WO3 O(3)W(1) JA85 02.May.23 -66156.3 -70000.0 68.461 0.0 26.002006 -1.193519 -0.466451 -182.417140 1800.00 VO2,gas VO2 VO2 O(2)V(1) JA85 02.May.23 -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 O(6)P(4) JA85 02.May.23 -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 O(6)W(2) JA85 02.May.23 -259304.7 -278200.0 99.331 0.0 47.081004 -0.695547 -4.102957 -95.902284 1800.00 W3O8,gas W3O8 W3O8 O(8)W(3) JA85 02.May.23 -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 O(9)W(3) JA85 02.May.23 -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 O(10)P(4) JA85 02.May.23 -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 O(12)W(4) JA85 02.May.23 -616310.0 -670200.0 144.663 0.0 104.753117 -2.693600 -6.851358 -387.122175 1800.00 P,gas P P P(1) JA85 02.May.23 66916.8 75619.0 39.005 0.0 4.671324 0.103256 -0.091012 6.320315 1800.00 PS,gas PS PS P(1)S(1) JA85 02.May.23 21646.5 33126.9 55.985 0.0 9.420800 -0.024643 -0.161394 -14.003637 1800.00 P2,gas P2 P2 P(2) JA85 02.May.23 24644.4 34333.9 52.135 0.0 10.366392 -0.232438 -0.219074 -41.479331 1800.00 P4,gas P4 P4 P(4) JA85 02.May.23 5835.6 14079.1 66.920 0.0 21.773447 -0.394898 -2.210514 -54.069814 1800.00 P4S3,gas P4S3 P4S3 P(4)S(3) JA85 02.May.23 -40289.2 -36099.9 76.306 0.0 37.000000 0.000000 0.000000 0.000000 1800.00 Pb,gas Pb Pb Pb(1) JA85 02.May.23 38773.4 46653.9 41.915 0.0 1.398953 1.302210 -1.041609 74.765731 1800.00 PbS,gas PbS PbS Pb(1)S(1) JA85 02.May.23 20485.4 31500.0 60.089 0.0 9.129551 0.044015 -0.385407 -5.624365 1800.00 Pb2,gas Pb2 Pb2 Pb(2) JA85 02.May.23 68685.5 79500.0 67.240 0.0 8.979171 0.380250 -0.185380 -1.035919 1800.00 Rb,gas Rb Rb Rb(1) JA85 02.May.23 12685.9 19335.6 40.653 0.0 4.821680 0.050600 -0.045402 3.127565 1800.00 Rb2,gas Rb2 Rb2 Rb(2) JA85 02.May.23 18703.2 27077.0 64.787 0.0 9.004382 -2.222604 -1.848720 48.374939 1800.00 S,gas S S S(1) JA85 02.May.23 56524.9 66199.8 40.112 0.0 3.361559 0.348503 -0.438472 46.421595 1800.00 SiS,gas SiS SiS S(1)Si(1) JA85 02.May.23 13002.6 25325.0 53.489 0.0 10.206152 -0.200014 -0.274330 -36.560498 1800.00 SrS,gas SrS SrS S(1)Sr(1) JA85 02.May.23 14789.2 25859.9 58.104 0.0 -6.255191 5.730849 -4.756738 315.698585 1800.00 S2,gasJA85 S2 S2 S(2) JA85 02.May.23 19045.7 30736.1 54.533 0.0 8.404064 0.626555 -0.666210 -1.483599 1800.00 S3,gas S3 S3 S(3) JA85 02.May.23 21457.2 33810.0 64.416 0.0 12.853883 1.039994 -1.554103 0.003020 1800.00 S4,gas S4 S4 S(4) JA85 02.May.23 21840.6 34840.1 74.246 0.0 19.091555 0.783184 -2.819978 0.007428 1800.00 S5,gas S5 S5 S(5) JA85 02.May.23 15568.1 26140.1 73.766 0.0 25.557454 0.253134 -3.771240 0.012477 1800.00 S6,gas S6 S6 S(6) JA85 02.May.23 12834.4 24359.9 84.626 0.0 31.581291 0.119635 -4.399505 -0.029678 1800.00 S7,gas S7 S7 S(7) JA85 02.May.23 14109.5 27169.9 97.436 0.0 37.037953 0.613021 -4.722933 0.000226 1800.00 S8,gas S8 S8 S(8) JA85 02.May.23 11610.4 24000.0 102.847 0.0 46.198531 -0.517530 -4.175133 -70.287510 1800.00 Si,gas Si Si Si(1) JA85 02.May.23 96923.5 107552.6 40.148 0.0 3.931563 0.406280 0.028966 21.216676 1800.00 Si2,gas Si2 Si2 Si(2) JA85 02.May.23 127307.1 141000.0 54.922 0.0 21.283640 -2.701627 2.908562 -267.669285 1800.00 Si3,gas Si3 Si3 Si(3) JA85 02.May.23 136932.8 152000.0 64.029 0.0 15.323046 -0.006132 -1.107508 -16.008376 1800.00 Sr,gas Sr Sr Sr(1) JA85 02.May.23 31433.6 39196.9 39.350 0.0 4.827337 0.047776 -0.044294 3.023003 1800.00 Ta,gas Ta Ta Ta(1) JA85 02.May.23 176656.5 186900.1 44.268 0.0 10.372376 0.389325 2.250198 -138.172140 1800.00 Ti,gas Ti Ti Ti(1) JA85 02.May.23 102544.0 113200.0 43.092 0.0 0.979492 1.431741 -0.517223 86.351909 1800.00 V,gas V V V(1) JA85 02.May.23 112271.5 123200.0 43.570 0.0 10.250269 -1.080681 2.237064 -107.174797 1800.00 W,gas W W W(1) JA85 02.May.23 193331.5 203400.1 41.576 0.0 16.270276 -2.102042 2.066042 -223.010215 1800.00 Zn,gas Zn Zn Zn(1) JA85 02.May.23 22671.8 31171.1 38.477 0.0 4.967973 0.000000 0.000000 0.000000 1800.00 Zr,gas Zr Zr Zr(1) JA85 02.May.23 135527.2 145800.0 43.745 0.0 -2.442465 3.237012 -2.169465 170.184551 1800.00 ************************************************************************