Gastherm.dat V.42.2023.08.29 Thermodynamic and related data for programs VOLCAL, SOLVGAS, and GASWORKS. These programs compute thermodynamic equilibrium among gases, liquids, and crystalline and vitreous solids Gastherm contains in order of appearance - - A text header not read by software, where the version number is v.# of basis components.date of last modification - Basis component gases data: mol.wt. of the gas, the element in the gas that makes it unique (adds an additional chemical element), mol.wt. of that element. All derived gases, liquids, and solids are a linear combination of these - Derived gas species data: Stochiometry, logKs at fixed temperature values, and regression coefficients for computing logKs at other temperatures - Derived solids and liquids data: Organized as for the derived gases. For a few minerals, also the integer identifier for its solid solution and real coefficient for the mixing site ______________________________ Modification Notes - 1990-April: V.4.00. The first recorded history that could be dredged. Robert Symonds, MTU 2015-June: V.4.01. H. Greenberg, M.H. Reed, J. Palandri. Change chemical element symbol case from all caps to match those in the periodic table. 2022-May-25: Add a text delimiter between the section for derived gases, and the section for liquids and solids. Remove blank lines where in the past they were required wherever the preceding line exceeded 72 characters. Modify SOLVGAS and GASWORKS to accommodate these changes. Change name for Al2O3 glass from Al2O3(g) to Al2O3-gl. Some revision of the text header. 2023-06-26: Recompilation of free energy, enthaply, entropy, and heat capacity data, in parts. Replacement of some older data with newer. Recalculation of logK's from those data using program Supcrt96. Currently there are 429 of the 585 derived gases, and 111 of 399 solids and liquids, compared to the 1990 version. ALL PREVIOUS log K's have been removed. 2023-07-31: Disconnect anorthite/albite-high/sanidine solid solution. 2023-08-29: Fix some incorrect reference tags, HP11 ---> Shock07. Add ref MR2002. 2023-10-12: Correct the name for the only current solid sulfur phase from monoclinic "S(M) " to orthorhombic "S(ortho)". ______________________________ For each derived gas, liquid, or solid, its unique record is organized as follows - - Line 1: Stochiometry for derived gases; mol. wt. as well for solids and liquids. - Line 2: Log K's at 25 100 200 300 400 500 600 700 800 deg C - Line 3: Log K's at 900 1000 1100 1200 deg C, all at one atm - Line 4: Regression coefficients (a,b,c,d,e) for log K's as f(T) from 298.15 to 1473.15K where interpolation of the log K's between the given temperature values is made by a least squares curve fit of the data using the equation: log K (deg K)= a + b/T + c*T + d/T**2 + e*log10(T) ______________________________ Data sources - Citation tags for each derived species are shown at the end of the first line of log K's. The references for these tags are listed here. In general, thermodynamic data for the derived species are valid up to 2000 K. Where the data do not extend to 2000K, a "*" precedes the citation tag. In cases where the thermodynamic data did not extend to 1500 K, the heat capacity equation was extrapolated. B672: Pankratz, L. B., 1982, Thermodynamic properties of elements and oxides: U.S. Bur. Mines Bull. 672, 509 p. NOTE: These data are used only for component species. B674: Pankratz, L. B., 1984, Thermodynamic properties of halides: U.S. Bur. Mines Bull. 674, 826 p. NOTE: These data are used only for component species. B677: Pankratz, L. B., Stuve, J. M., and Gokcen, N. A., 1984, Thermodynamic data for mineral technology: U.S. Bur. Mines Bull. 677, 355 p. NOTE: These data are used only for component species. Shock07: Helgeson,H.C., Delaney,J.M., Nesbitt,H.W., and Bird,D.K., 1978, Summary and critique of the thermodynamic properties of rock-forming minerals: Am. Jour. Sci., v. 278-A, p. 1-229. 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. Comments on elemental sulfur: Relevant phase change info (B672) - - 368.3 K, orthorhombic reference state to monoclinic - 388.36 K, melting point - 432.02 K, second order transformation of S - 717.824 K, boiling point The Holland and Powell (2011) data contains elemental sulfur in only two of the forms, orthorhombic in its reference state and as S2 gas. Monoclinic and liquid are absent. Since the enthalpy and entropy of reference state orthorhombic sulfur are well known, Holland and Powell used these values and held them constant in running their program to impose internal consistency upon the data. Only the heat capacity coefficients were adjusted. To include monoclinic and liquid sulfur in the data set, and to make their phase change behavior consistent with those shown above, their data would need to be added to and included in the input data for a subsequent iteration of the Holland and Powell internal consistency program. Therefore, Gastherm currently contains elemental sulfur only as orthorhombic solid and the various gases. 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. MR2002: DH, DG, S for chalcocite and bornite adjusted using data from Robie, R.A., Seal, R.R., and Hemingway, B.S. (1994) Heat capacity and entropy of bornite (Cu5FeS4) between 6 and 760K and the thermodynamic properties of phases in the system Cu-Fe-S. Canadian Mineralogist, 32, 945–956. Changes originally made to the Shock07 database, and then the enitire records copied to HP11. RH95: Robie, R.A., and Hemingway, B.S. (1995). Thermodynamic properties of minerals and related substances at 298.15K and 1 bar (105 pascals) and at higher temperatures. USGS Bulletin 2131: 461 p. Minerals with five heat capacity coefficients were re-regressed to have four, as for Holland and Powell. Cp error for dawsonite coeff A3 corrected 2020-02-12. ______________________________ Citations from Gastherm 1990 not yet cited above: AN85: Anovitz,L.M., Treiman,A.H., Essene,E.J., Hemingway,B.S., Westrum,E.F.,Jr., Wall,V.J., Burriel,R., and Bohlen,S.R., 1985, The heat-capacity of ilmenite and phase equilibria in the system Fe-Ti-O: Geochim. et Cosmochim. Acta, v.49, p.2027-2040. >>>A single entry for ulvospinel in Gastherm 1990<<< B689: Pankratz,L.B., Mah,A.D., and Watson,S.W., 1987, Thermodynamic properties of sulfides: U.S. Bur. Mines Bull. 689, 427 p. BA73: Barin, I., and Knacke, O., 1973, Thermochemical properties of inorganic substances: Berlin, Springer-Verlag, 921 p. BA77: Barin, I., Knacke, O., and Kubaschewski, O., 1977, Thermochemical properties of inorganic substances (supplement): Berlin, Springer-Verlag, 861 p. BE85: Berman,R.G., and Brown,T.H., 1985, Heat Capacity of minerals in the system Na2O-K2O-CaO-MgO-FeO-Fe2O3-Al2O3-SiO2-TiO2-H2O-CO2: representation, estimation, and high temperature extrapolation: Contr. Mineralogy Petrology, v.89, p.168-183. BE88: Berman,R.G., 1988, Internally-Consistent Thermodynamic data for minerals in the system Na2O-K2O-CaO-MgO-FeO-Fe2O3-Al2O3-SiO2-TiO2-H2O-CO2. Jour. Petrology, v.29, p. 445-522. RO78: Robie, R. A., Hemingway, B. S., and Fisher, J. R., 1978, Thermodynamic properties of minerals and related substances at 298.15 K and 1 bar (0.1 mPa) pressure and at higher Temperatures: U.S. Geol. Survey Bull. 1452, 456 p. DE82: DeKock, C. W., 1982, Thermodynamic properties of selected transition metal sulfates and their hydrates: U.S. Bur. Mines Inform. circ. 8910, 45 p. >>>No citations in Gastherm 1990 were found, but the reference was present.<<< ______________________________ The following solid solutions indexes are currently in use - 1. Diopside-hedenbergite-jadeite 2. Orthoenstatie - ferrosilite 3. Forsterite-fayalite-tephroite-Ni2SiO4 *4. Anorthite-(hi-albite)-sanidine 5. Magnetite-ulvospinel *7. Ilmenite-hematite-MgTiO3 8. MnWO4 - FeWO4 9. CdS-wurtzite(ZnS) * = currently suppressed A (*) as the 8th character of a name indicates large uncertainy for that data. A non-blank character (e.g.$) in the 16th column before itot will cause that derived gas to be skipped. Component Molecular Atomic Species Weight Element Weight Reference ************************************************************************ H2 2.0158 H 1.0079 1 HP11 H2O 18.0152 O 15.9994 2 HP11 CO2 44.0098 C 12.011 3 HP11 H2S(g) 34.0758 S 32.06 4 HP11 HCl 36.4609 Cl 35.453 5 RH95 HF 20.0063 F 18.9984 6 RH95 HBr 80.9119 Br 79.904 7 JA85 NaCl 58.4428 Na 22.9898 8 JA85 KCl 74.5513 K 39.0983 9 JA85 FeCl2 126.753 Fe 55.847 10 JA85 ZnCl2 136.286 Zn 65.38 11 KKH91 Cd 112.4100 Cd 112.41 12 B672 AlF3 83.9767 Al 26.9815 13 JA85 CuCl 98.999 Cu 63.546 14 JA85 BiCl3 315.3394 Bi 208.9804 15 B674 PbCl2 278.1060 Pb 207.2 16 JA85 H2MoO4 161.9534 Mo 95.94 17 JA85 H2WO4 249.8634 W 183.85 18 JA85 AsCl3 181.2806 As 74.9216 19 B674 SbCl3 228.109 Sb 121.75 20 KKH91 SiF4 104.0791 Si 28.0855 21 JA85 MgCl2 95.2110 Mg 24.305 22 JA85 CaCl2 110.9860 Ca 40.08 23 JA85 TiF4 123.8736 Ti 47.88 24 JA85 CrCl4 193.8080 Cr 51.996 25 B674 CoCl2 129.8392 Co 58.9332 26 JA85 NiCl2 129.5960 Ni 58.69 27 JA85 MnCl2 125.8440 Mn 54.9380 28 KKH91 VCl4 192.7535 V 50.9415 29 B674 SrCl2 158.5260 Sr 87.62 30 JA85 GaCl3 176.0790 Ga 69.72 31 B674 LiCl 42.3940 Li 6.941 32 JA85 RbCl 120.9208 Rb 85.4678 33 B674 CsCl 168.3584 Cs 132.9054 34 JA85 H2Se 80.9758 Se 78.96 35 B677 H2Te 129.6158 Te 127.60 36 B677 N2 28.0134 N 14.0067 37 RH95 SnCl2 189.5960 Sn 118.69 38 B674 AgCl 143.3210 Ag 107.868 39 KKH91 Au 196.9665 Au 196.9665 40 B672 Hg 200.59 Hg 200.59 41 JA85 Ir 192.22 Ir 192.22 42 B672 O2 3 -2.000 1 2.000 2 O2 80.078 63.040 48.704 39.355 32.772 27.884 24.110 21.108 HP11 O2 18.662 16.632 14.919 13.454 12.188 O2 0.6168410E+00 0.2495983E+05 0.2375886E-03 0.1319083E+05-0.1807972E+01 Al 4 1.500 1-3.000 6 1.00013 Al 114.848 89.595 68.518 54.900 45.400 38.408 33.057 28.835 JA85 Al 25.423 22.612 20.258 18.259 16.542 Al -0.3242442E+02 0.3850486E+05-0.3913858E-03-0.3364915E+04 0.7387963E+01 AlBr 5 1.000 1-3.000 6 1.000 7 1.00013 AlBr 69.301 53.831 41.004 32.777 27.079 22.915 19.750 17.270 JA85 AlBr 15.279 13.650 12.295 11.153 10.178 AlBr -0.3146712E+02 0.2399333E+05-0.3720943E-03 0.1580981E+05 0.8174483E+01 AlBr3 4 -3.000 6 3.000 7 1.00013 AlBr3 15.571 12.562 10.231 8.852 7.973 7.386 6.982 6.698 JA85 AlBr3 6.495 6.351 6.249 6.177 6.129 AlBr3 -0.2289940E+02 0.5304455E+04-0.3181036E-03 0.5039154E+05 0.8166357E+01 (AlBr3)2 4 -6.000 6 6.000 7 2.00013 (AlBr3)2 18.686 16.748 15.476 14.896 14.651 14.584 14.616 14.706 JA85 (AlBr3)2 14.830 14.974 15.128 15.287 15.448 (AlBr3)2-0.3312096E+02 0.4326820E+04-0.6752628E-03 0.9921823E+05 0.1470234E+02 AlC 6 3.500 1-2.000 2 1.000 3-3.000 6 1.00013 AlC 164.117 129.400 100.442 81.745 68.710 59.124 51.790 46.008 JA85 AlC 41.337 37.491 34.271 31.538 29.192 AlC -0.4139669E+02 0.5307678E+05-0.6517417E-03-0.4891599E+04 0.1121171E+02 AlCl 5 1.000 1 1.000 5-3.000 6 1.00013 AlCl 67.280 52.207 39.699 31.669 26.102 22.030 18.932 16.503 JA85 AlCl 14.551 12.952 11.621 10.498 9.539 AlCl -0.2950948E+02 0.2332037E+05-0.3392978E-03 0.1376374E+05 0.7484102E+01 AlClF 5 0.500 1 1.000 5-2.000 6 1.00013 AlClF 41.210 31.918 24.224 19.297 15.890 13.403 11.516 10.040 JA85 AlClF 8.856 7.890 7.087 6.411 5.835 AlClF -0.2056300E+02 0.1445737E+05-0.2337853E-03 0.1203576E+05 0.5341443E+01 AlClF2 4 1.000 5-1.000 6 1.00013 AlClF2 4.694 3.692 2.903 2.424 2.111 1.896 1.743 1.630 JA85 AlClF2 1.546 1.483 1.434 1.396 1.368 AlClF2 -0.6171675E+01 0.1682024E+04-0.7174576E-04 0.1526921E+05 0.2050442E+01 AlCl2 5 0.500 1 2.000 5-3.000 6 1.00013 AlCl2 46.495 36.234 27.771 22.377 18.661 15.962 13.921 12.332 JA85 AlCl2 11.064 10.032 9.179 8.463 7.857 AlCl2 -0.2557567E+02 0.1609202E+05-0.3059964E-03 0.2362336E+05 0.7243392E+01 AlCl2F 4 2.000 5-2.000 6 1.00013 AlCl2F 9.465 7.525 5.996 5.071 4.467 4.052 3.757 3.541 JA85 AlCl2F 3.380 3.258 3.165 3.094 3.040 AlCl2F -0.1199431E+02 0.3287205E+04-0.1561364E-03 0.2772863E+05 0.4109466E+01 AlCl3 4 3.000 5-3.000 6 1.00013 AlCl3 14.403 11.600 9.396 8.065 7.198 6.605 6.183 5.876 JA85 AlCl3 5.648 5.477 5.347 5.248 5.173 AlCl3 -0.1692841E+02 0.4752629E+04-0.2207426E-03 0.4233660E+05 0.6054112E+01 (AlCl3)2 4 6.000 5-6.000 6 2.00013 (AlCl3)2 14.672 13.510 12.800 12.520 12.443 12.468 12.549 12.659 JA85 (AlCl3)2 12.786 12.920 13.058 13.195 13.329 (AlCl3)2-0.2105162E+02 0.2661059E+04-0.4783678E-03 0.8719652E+05 0.1049133E+02 AlF 4 1.000 1-2.000 6 1.00013 AlF 61.443 47.515 35.921 28.454 23.260 19.449 16.541 14.254 JA85 AlF 12.411 10.897 9.633 8.562 7.646 AlF -0.2416389E+02 0.2143578E+05-0.2705730E-03 0.9366187E+02 0.5573218E+01 AlFO 4 1.000 2-2.000 6 1.00013 AlFO 50.342 39.011 29.571 23.482 19.241 16.123 13.740 11.863 JA85 AlFO 10.348 9.101 8.059 7.175 6.418 AlFO -0.1577158E+02 0.1717629E+05-0.1002588E-03 0.1787882E+05 0.3367559E+01 AlF2 4 0.500 1-1.000 6 1.00013 AlF2 37.292 28.820 21.765 17.218 14.054 11.732 9.959 8.565 JA85 AlF2 7.440 6.517 5.745 5.092 4.532 AlF2 -0.1446973E+02 0.1303786E+05-0.1526961E-03-0.2404449E+04 0.3275512E+01 AlF2O 5 -0.500 1 1.000 2-1.000 6 1.00013 AlF2O 8.634 6.225 4.244 2.984 2.117 1.488 1.013 0.644 JA85 AlF2O 0.350 0.111 -0.086 -0.251 -0.390 AlF2O -0.7537055E+01 0.3680428E+04-0.9251439E-05 0.1728828E+05 0.1469061E+01 (AlF3)2 2 2.00013 (AlF3)2 -28.987 -21.430 -15.112 -11.026 -8.174 -6.076 -4.471 -3.206 JA85 (AlF3)2 -2.185 -1.345 -0.643 -0.048 0.462 (AlF3)2 0.1504324E+02-0.1163238E+05 0.6844895E-05 0.1946540E+05-0.2116054E+01 AlH 4 2.000 1-3.000 6 1.00013 AlH 104.729 81.922 62.843 50.488 41.848 35.477 30.590 26.727 JA85 AlH 23.599 21.016 18.849 17.007 15.421 AlH -0.2337548E+02 0.3461461E+05-0.2704064E-03-0.1587890E+05 0.4957018E+01 AlO 5 0.500 1 1.000 2-3.000 6 1.00013 AlO 111.401 86.919 66.551 53.435 44.312 37.617 32.506 28.483 JA85 AlO 25.241 22.575 20.347 18.460 16.843 AlO -0.3773458E+02 0.3744283E+05-0.5293176E-03 0.2993961E+05 0.9445712E+01 (AlO)2 5 1.000 1 2.000 2-6.000 6 2.00013 (AlO)2 138.362 107.942 82.666 66.412 55.121 46.848 40.541 35.586 JA85 (AlO)2 31.599 28.326 25.598 23.290 21.317 (AlO)2 -0.4887408E+02 0.4655051E+05-0.4678075E-03 0.5193589E+05 0.1239076E+02 AlOCl 5 1.000 2 1.000 5-3.000 6 1.00013 AlOCl 59.613 46.460 35.541 28.524 23.654 20.087 17.369 15.236 JA85 AlOCl 13.520 12.112 10.939 9.948 9.101 AlOCl -0.2146553E+02 0.2007832E+05-0.1787460E-03 0.3261723E+05 0.5424207E+01 AlOH 5 1.000 1 1.000 2-3.000 6 1.00013 AlOH 71.670 55.799 42.511 33.896 27.867 23.415 19.998 17.294 JA85 AlOH 15.102 13.291 11.771 10.476 9.361 AlOH -0.1564988E+02 0.2400078E+05-0.1542508E-03-0.1102978E+05 0.2825273E+01 AlO2 5 -0.500 1 2.000 2-3.000 6 1.00013 AlO2 128.224 100.578 77.469 62.507 52.046 44.331 38.412 33.734 JA85 AlO2 29.945 26.818 24.194 21.963 20.044 AlO2 -0.2288849E+02 0.4148882E+05-0.9441154E-04 0.3149607E+05 0.4700923E+01 AlO2H 4 2.000 2-3.000 6 1.00013 AlO2H 65.973 51.477 39.372 31.543 26.076 22.047 18.959 16.521 JA85 AlO2H 14.548 12.921 11.557 10.398 9.402 AlO2H -0.1485637E+02 0.2181457E+05-0.8577603E-04 0.1920422E+05 0.3019883E+01 AlS 5 0.500 1 1.000 4-3.000 6 1.00013 AlS 102.896 80.183 61.323 49.204 40.792 34.633 29.941 26.257 JA85 AlS 23.293 20.863 18.836 17.123 15.658 AlS -0.4024135E+02 0.3495398E+05-0.5224609E-03 0.3021768E+05 0.1039305E+02 Al2O 5 2.000 1 1.000 2-6.000 6 2.00013 Al2O 138.147 107.449 81.918 65.486 54.067 45.694 39.309 34.290 JA85 Al2O 30.248 26.930 24.161 21.819 19.814 Al2O -0.5185300E+02 0.4722073E+05-0.5950289E-03 0.1614297E+05 0.1277735E+02 Br 3 -0.500 1 1.000 7 Br 23.805 18.594 14.236 11.413 9.436 7.976 6.854 5.966 JA85 Br 5.246 4.650 4.149 3.723 3.355 Br -0.3650986E+01 0.7726576E+04-0.1854186E-04 0.1374249E+05 0.5625049E+00 BrCl 4 -1.000 1 1.000 5 1.000 7 BrCl 25.900 20.869 16.676 13.967 12.075 10.682 9.615 8.772 JA85 BrCl 8.091 7.529 7.058 6.658 6.314 BrCl -0.1341851E+01 0.7451484E+04 0.1564896E-04 0.2145535E+05 0.8096013E+00 BrF 4 -1.000 1 1.000 6 1.000 7 BrF 44.692 35.841 28.395 23.538 20.117 17.577 15.614 14.052 JA85 BrF 12.779 11.721 10.829 10.065 9.404 BrF 0.3836204E+01 0.1291304E+05 0.1087691E-03 0.1242830E+05-0.1061665E+01 BrF3 4 -2.000 1 3.000 6 1.000 7 BrF3 113.934 92.742 74.853 63.140 54.860 48.688 43.904 40.084 JA85 BrF3 36.959 34.355 32.150 30.257 28.614 BrF3 0.2397659E+02 0.3057952E+05 0.3023587E-03 0.2213100E+05-0.5231883E+01 BrF5 4 -3.000 1 5.000 6 1.000 7 BrF5 189.059 154.674 125.610 106.551 93.060 82.988 75.171 68.919 JA85 BrF5 63.800 59.527 55.904 52.791 50.085 BrF5 0.4848973E+02 0.4935726E+05 0.5195880E-03 0.3566804E+05-0.1031831E+02 BrSF5 5 -4.000 1 1.000 4 5.000 6 1.000 7 BrSF5 100.693 84.733 71.107 62.065 55.591 50.704 46.871 43.775 JA85 BrSF5 41.216 39.062 37.219 35.624 34.228 BrSF5 0.6114796E+02 0.2147784E+05 0.8099457E-03 0.5602052E+05-0.1348336E+02 Br2 3 -1.000 1 2.000 7 Br2 19.297 15.670 12.676 10.760 9.436 8.470 7.736 7.162 JA85 Br2 6.701 6.325 6.012 5.749 5.525 Br2 -0.3192506E+01 0.5441416E+04-0.1766906E-04 0.2757491E+05 0.1589835E+01 C 4 2.000 1 1.000 3-2.000 2 C 106.604 84.575 66.139 54.190 45.827 39.654 34.915 31.164 JA85 C 28.125 25.612 23.502 21.704 20.156 C -0.1502079E+02 0.3328117E+05-0.2894088E-03-0.7034443E+04 0.4107823E+01 CBr 5 1.500 1-2.000 2 1.000 3 1.000 7 CBr 79.889 63.860 50.503 41.887 35.884 31.471 28.098 25.439 JA85 CBr 23.292 21.525 20.046 18.792 17.715 CBr -0.1521293E+02 0.2443039E+05-0.2974579E-03 0.1317414E+05 0.5295146E+01 CBrF3 5 -2.000 2 1.000 3 3.000 6 1.000 7 CBrF3 34.045 29.848 26.187 23.703 21.889 20.495 19.383 18.471 JA85 CBrF3 17.705 17.052 16.485 15.988 15.548 CBrF3 0.3222435E+02 0.5355148E+04 0.2271067E-03-0.7660877E+04-0.6515496E+01 CBr4 4 -2.000 2 1.000 3 4.000 7 CBr4 32.797 29.131 26.168 24.314 23.058 22.160 21.491 20.978 JA85 CBr4 20.573 20.249 19.985 19.766 19.583 CBr4 0.3881299E+01 0.5616009E+04-0.1797804E-03 0.5879550E+05 0.3827787E+01 CCl 5 1.500 1-2.000 2 1.000 3 1.000 5 CCl 88.061 70.336 55.509 45.905 39.187 34.230 30.427 27.418 JA85 CCl 24.980 22.967 21.276 19.837 18.598 CCl -0.1038737E+02 0.2678198E+05-0.2254009E-03-0.9136650E+03 0.3515418E+01 CClF3 5 -2.000 2 1.000 3 1.000 5 3.000 6 CClF3 33.532 29.436 25.840 23.385 21.582 20.189 19.073 18.154 JA85 CClF3 17.380 16.717 16.140 15.633 15.183 CClF3 0.3493680E+02 0.5086555E+04 0.2787772E-03-0.9437789E+04-0.7453072E+01 CCl2 5 1.000 1-2.000 2 1.000 3 2.000 5 CCl2 62.270 50.586 40.851 34.570 30.191 26.971 24.506 22.560 JA85 CCl2 20.988 19.691 18.603 17.679 16.883 CCl2 -0.7497404E+01 0.1779121E+05-0.3913251E-03 0.1401528E+05 0.4063314E+01 CCl2F2 5 -2.000 2 1.000 3 2.000 5 2.000 6 CCl2F2 39.593 34.288 29.744 26.718 24.544 22.899 21.604 20.555 JA85 CCl2F2 19.684 18.949 18.319 17.771 17.289 CCl2F2 0.2712807E+02 0.7148259E+04 0.1649360E-03 0.9563196E+04-0.4715108E+01 CCl3 5 0.500 1-2.000 2 1.000 3 3.000 5 CCl3 55.292 45.939 38.128 33.070 29.533 26.923 24.918 23.332 JA85 CCl3 22.046 20.983 20.090 19.330 18.675 CCl3 0.5612120E+01 0.1384085E+05-0.4239321E-04 0.3277954E+05 0.1172502E+01 CCl3F 5 -2.000 2 1.000 3 3.000 5 1.000 6 CCl3F 43.658 37.615 32.518 29.179 26.816 25.051 23.680 22.583 JA85 CCl3F 21.684 20.932 20.294 19.745 19.267 CCl3F 0.1996198E+02 0.8487612E+04 0.7254047E-04 0.3056043E+05-0.2076032E+01 CCl4 4 -2.000 2 1.000 3 4.000 5 CCl4 46.393 39.971 34.621 31.163 28.746 26.963 25.593 24.509 JA85 CCl4 23.630 22.903 22.292 21.771 21.322 CCl4 0.1324434E+02 0.9306896E+04-0.2518829E-04 0.4931985E+05 0.5600719E+00 CF 5 1.500 1-2.000 2 1.000 3 1.000 6 CF 76.437 61.001 48.038 39.608 33.689 29.307 25.933 23.255 JA85 CF 21.079 19.276 17.757 16.461 15.341 CF -0.4528445E+01 0.2322291E+05-0.1507082E-03-0.2382178E+05 0.1369350E+01 CF2 5 1.000 1-2.000 2 1.000 3 2.000 6 CF2 51.931 42.234 34.027 28.644 24.833 21.990 19.785 18.022 JA85 CF2 16.579 15.376 14.356 13.479 12.718 CF2 0.9500296E+01 0.1424255E+05 0.3485966E-04-0.2493007E+05-0.2048548E+01 CF3 5 0.500 1-2.000 2 1.000 3 3.000 6 CF3 53.705 44.493 36.608 31.371 27.621 24.792 22.573 20.782 JA85 CF3 19.302 18.056 16.991 16.068 15.260 CF3 0.2628622E+02 0.1293113E+05 0.2334741E-03-0.2627642E+05-0.6355555E+01 CF3OF 5 -1.000 1-1.000 2 1.000 3 4.000 6 CF3OF 98.043 81.026 66.500 56.876 49.998 44.819 40.765 37.498 JA85 CF3OF 34.802 32.536 30.602 28.929 27.466 CF3OF 0.4543163E+02 0.2382145E+05 0.4925786E-03-0.1888977E+05-0.1100070E+02 CF4 4 -2.000 2 1.000 3 4.000 6 CF4 26.341 23.769 21.384 19.669 18.356 17.304 16.435 15.699 JA85 CF4 15.064 14.508 14.016 13.575 13.177 CF4 0.4263418E+02 0.2614808E+04 0.3451720E-03-0.3456169E+05-0.1001335E+02 CH 4 2.500 1-2.000 2 1.000 3 CH 87.246 69.537 54.739 45.165 38.478 33.550 29.773 26.788 JA85 CH 24.372 22.378 20.705 19.281 18.056 CH -0.1560226E+02 0.2703754E+05-0.4352248E-03-0.1470437E+05 0.5035127E+01 CHCl 5 2.000 1 1.000 3 1.000 5-2.000 2 CHCl 61.611 49.689 39.564 32.901 28.171 24.633 21.880 19.675 JA85 CHCl 17.865 16.352 15.066 13.958 12.992 CHCl 0.1087691E+02 0.1758461E+05-0.6569162E-04-0.5789664E+05-0.3060937E+01 CHClF2 6 1.000 1-2.000 2 1.000 3 1.000 5 2.000 6 CHClF2 23.285 20.840 18.627 17.073 15.904 14.982 14.230 13.600 JA85 CHClF2 13.062 12.594 12.182 11.816 11.487 CHClF2 0.3088585E+02 0.2832371E+04 0.1656664E-03-0.2818736E+05-0.6802735E+01 CHCl2F 6 1.000 1-2.000 2 1.000 3 2.000 5 1.000 6 CHCl2F 26.364 23.334 20.683 18.879 17.557 16.539 15.726 15.056 JA85 CHCl2F 14.493 14.011 13.592 13.224 12.896 CHCl2F 0.2519876E+02 0.3890851E+04 0.9340256E-04-0.1230852E+05-0.4758344E+01 CHCl3 5 1.000 1-2.000 2 1.000 3 3.000 5 CHCl3 26.766 23.802 21.272 19.592 18.387 17.477 16.761 16.181 JA85 CHCl3 15.701 15.295 14.946 14.643 14.376 CHCl3 0.1874856E+02 0.4013634E+04 0.9713153E-05 0.9790950E+04-0.2245952E+01 CHF 5 2.000 1 1.000 3 1.000 6-2.000 2 CHF 56.588 45.699 36.519 30.525 26.301 23.162 20.737 18.806 JA85 CHF 17.232 15.923 14.817 13.869 13.048 CHF 0.2435406E+01 0.1633533E+05-0.1332040E-03-0.3473274E+05-0.8323683E-01 CHFO 5 1.000 1 1.000 3 1.000 6-1.000 2 CHFO 12.815 11.048 9.444 8.318 7.472 6.806 6.265 5.812 JA85 CHFO 5.427 5.092 4.799 4.538 4.305 CHFO 0.1716480E+02 0.2196488E+04 0.1231019E-03-0.3706005E+05-0.4581500E+01 CHF3 5 1.000 1-2.000 2 1.000 3 3.000 6 CHF3 17.673 16.395 15.078 14.046 13.206 12.501 11.896 11.367 JA85 CHF3 10.899 10.480 10.101 9.756 9.440 CHF3 0.4074449E+02 0.7935792E+03 0.2996071E-03-0.5582408E+05-0.1018195E+02 CH2 4 3.000 1-2.000 2 1.000 3 CH2 53.696 43.263 34.502 28.807 24.811 21.854 19.578 17.773 JA85 CH2 16.306 15.090 14.066 13.192 12.436 CH2 -0.3718493E+01 0.1591212E+05-0.2694682E-03-0.3356763E+05 0.1819797E+01 CH2ClF 6 2.000 1 1.000 3 1.000 5 1.000 6-2.000 2 CH2ClF 12.501 11.931 11.272 10.717 10.243 9.832 9.470 9.148 JA85 CH2ClF 8.858 8.594 8.353 8.131 7.925 CH2ClF 0.2945850E+02 0.1865099E+03 0.9583839E-04-0.5369270E+05-0.6873342E+01 CH2Cl2 5 2.000 1 1.000 3 2.000 5-2.000 2 CH2Cl2 10.322 10.303 10.177 10.018 9.854 9.695 9.543 9.400 JA85 CH2Cl2 9.266 9.139 9.020 8.908 8.802 CH2Cl2 0.2265415E+02-0.4305571E+03 0.1426726E-04-0.2618981E+05-0.4282828E+01 CH2F2 5 2.000 1 1.000 3 2.000 6-2.000 2 CH2F2 11.385 11.046 10.504 9.973 9.481 9.032 8.624 8.251 JA85 CH2F2 7.909 7.594 7.302 7.031 6.778 CH2F2 0.3821005E+02-0.4362089E+03 0.2309139E-03-0.7784869E+05-0.9923518E+01 CH2O 4 2.000 1-1.000 2 1.000 3 CH2O 9.790 8.460 7.214 6.315 5.628 5.080 4.628 4.247 JA85 CH2O 3.918 3.632 3.378 3.151 2.946 CH2O 0.1488404E+02 0.1742859E+04 0.3668055E-04-0.6066949E+05-0.4149671E+01 CH3 4 3.500 1-2.000 2 1.000 3 CH3 14.928 12.951 11.258 10.138 9.340 8.740 8.272 7.895 JA85 CH3 7.583 7.321 7.097 6.901 6.729 CH3 0.3957948E+01 0.3194269E+04-0.2668423E-03-0.4057306E+05 0.3202442E+00 CH3Cl 5 3.000 1-2.000 2 1.000 3 1.000 5 CH3Cl -4.834 -2.048 0.133 1.444 2.293 2.871 3.278 3.571 JA85 CH3Cl 3.785 3.943 4.059 4.144 4.205 CH3Cl 0.2461579E+02-0.4555059E+04-0.1965582E-04-0.6085564E+05-0.5448340E+01 CH3F 5 3.000 1-2.000 2 1.000 3 1.000 6 CH3F 0.403 2.077 3.244 3.840 4.152 4.306 4.369 4.375 JA85 CH3F 4.344 4.290 4.221 4.141 4.054 CH3F 0.3262048E+02-0.3128627E+04 0.8161609E-04-0.9208205E+05-0.8370598E+01 CH4 4 4.000 1-2.000 2 1.000 3 CH4 -19.875 -14.173 -9.580 -6.722 -4.798 -3.433 -2.425 -1.660 HP11 CH4 -1.066 -0.596 -0.220 0.085 0.333 CH4 0.2504229E+02-0.8724018E+04-0.1030640E-03-0.9842254E+05-0.5867545E+01 CO 4 1.000 1 1.000 3-1.000 2 CO 5.015 3.589 2.440 1.732 1.261 0.932 0.694 0.516 HP11 CO 0.381 0.276 0.193 0.128 0.076 CO -0.1114323E+02 0.2613845E+04-0.1757710E-03-0.1237897E+05 0.3064564E+01 COCl 5 0.500 1-1.000 2 1.000 3 1.000 5 COCl 32.338 25.978 20.679 17.263 14.884 13.137 11.802 10.750 JA85 COCl 9.903 9.205 8.622 8.129 7.705 COCl -0.5627395E+01 0.9715007E+04-0.9029923E-04 0.3846939E+04 0.2168094E+01 COClF 5 -1.000 2 1.000 3 1.000 5 1.000 6 COClF 21.534 18.324 15.579 13.757 12.452 11.467 10.694 10.070 JA85 COClF 9.554 9.119 8.747 8.425 8.142 COClF 0.1244183E+02 0.4439025E+04 0.8471053E-04-0.1160692E+04-0.2347430E+01 COF 5 0.500 1-1.000 2 1.000 3 1.000 6 COF 45.217 36.280 28.749 23.832 20.367 17.793 15.804 14.221 JA85 COF 12.931 11.858 10.953 10.178 9.507 COF 0.2320537E+01 0.1326722E+05 0.1722112E-04-0.1527711E+05-0.5800590E+00 COF2 4 -1.000 2 1.000 3 2.000 6 COF2 16.341 14.193 12.274 10.943 9.953 9.181 8.556 8.037 JA85 COF2 7.597 7.218 6.887 6.594 6.332 COF2 0.2011912E+02 0.2614652E+04 0.1876356E-03-0.2147379E+05-0.4995917E+01 COS 4 -1.000 2 1.000 3 1.000 4 COS 5.838 4.676 3.742 3.162 2.774 2.500 2.300 2.149 JA85 COS 2.033 1.943 1.871 1.814 1.769 COS -0.3866255E+01 0.1831819E+04 0.4506246E-04 0.1550038E+05 0.1362918E+01 CS 5 1.000 1-2.000 2 1.000 3 1.000 4 CS 34.897 27.515 21.378 17.431 14.690 12.684 11.156 9.957 JA85 CS 8.993 8.204 7.547 6.992 6.519 CS -0.1118542E+02 0.1140519E+05-0.6397416E-04-0.5559943E+03 0.3174258E+01 CS2 4 -2.000 2 1.000 3 2.000 4 CS2 12.319 9.979 8.082 6.896 6.095 5.525 5.104 4.784 JA85 CS2 4.536 4.340 4.183 4.057 3.954 CS2 -0.5865490E+01 0.3662764E+04 0.1099632E-03 0.2442277E+05 0.2259908E+01 C2 4 4.000 1 2.000 3-4.000 2 C2 114.963 91.888 72.668 60.282 51.664 45.339 40.511 36.711 JA85 C2 33.648 31.129 29.024 27.241 25.712 C2 -0.2923594E+02 0.3577526E+05-0.6786011E-03-0.2923956E+05 0.9997984E+01 C2Cl2 5 3.000 1-4.000 2 2.000 3 2.000 5 C2Cl2 46.169 38.679 32.478 28.509 25.765 23.763 22.243 21.053 JA85 C2Cl2 20.098 19.316 18.666 18.117 17.647 C2Cl2 -0.6486447E+01 0.1185152E+05-0.4548654E-03-0.4382923E+04 0.5290192E+01 C2Cl4 5 2.000 1-4.000 2 2.000 3 4.000 5 C2Cl4 48.581 42.383 37.209 33.862 31.522 29.794 28.467 27.416 JA85 C2Cl4 26.563 25.856 25.262 24.754 24.315 C2Cl4 0.1381591E+02 0.9271210E+04-0.2297222E-03 0.1733721E+05 0.1431759E+01 C2Cl6 5 1.000 1-4.000 2 2.000 3 6.000 5 C2Cl6 69.441 61.034 54.002 49.435 46.228 43.851 42.016 40.556 JA85 C2Cl6 39.366 38.376 37.540 36.824 36.203 C2Cl6 0.2918737E+02 0.1204570E+05-0.1156826E-03 0.6066895E+05-0.3216058E+00 C2F2 5 3.000 1-4.000 2 2.000 3 2.000 6 C2F2 76.619 62.961 51.451 43.936 38.640 34.705 31.664 29.241 JA85 C2F2 27.265 25.622 24.232 23.041 22.008 C2F2 0.8644506E+01 0.2044691E+05-0.2286527E-03-0.3643007E+05-0.5125561E-01 C2F4 5 2.000 1-4.000 2 2.000 3 4.000 6 C2F4 61.746 52.693 44.902 39.700 35.956 33.119 30.885 29.073 JA85 C2F4 27.570 26.298 25.207 24.257 23.422 C2F4 0.3725072E+02 0.1271882E+05 0.7084322E-04-0.5141810E+05-0.7115380E+01 C2F6 5 1.000 1-4.000 2 2.000 3 6.000 6 C2F6 47.089 42.870 39.032 36.318 34.265 32.637 31.302 30.180 JA85 C2F6 29.217 28.379 27.639 26.978 26.384 C2F6 0.6590564E+02 0.4503977E+04 0.4263886E-03-0.2800408E+05-0.1363348E+02 C2HCl 5 4.000 1 2.000 3 1.000 5-4.000 2 C2HCl 29.363 24.974 21.376 19.100 17.544 16.422 15.580 14.927 JA85 C2HCl 14.408 13.988 13.641 13.351 13.104 C2HCl -0.8148722E+01 0.7279975E+04-0.5179571E-03-0.7899069E+04 0.5390270E+01 C2HF 5 4.000 1 2.000 3 1.000 6-4.000 2 C2HF 45.463 37.786 31.380 27.244 24.362 22.241 20.619 19.339 JA85 C2HF 18.303 17.449 16.732 16.122 15.596 C2HF -0.3694456E+01 0.1202980E+05-0.4686853E-03-0.2557754E+05 0.3732885E+01 C2H2 4 5.000 1-4.000 2 2.000 3 C2H2 14.664 13.060 11.783 11.006 10.497 10.144 9.891 9.703 JA85 C2H2 9.560 9.448 9.359 9.287 9.227 C2H2 -0.8536610E+01 0.3208843E+04-0.6187177E-03-0.2403323E+05 0.5210457E+01 C2H4 4 6.000 1-4.000 2 2.000 3 C2H4 -9.998 -5.591 -2.058 0.128 1.591 2.624 3.380 3.949 JA85 C2H4 4.387 4.728 4.998 5.213 5.384 C2H4 0.2420782E+02-0.6630451E+04-0.2939192E-03-0.9472240E+05-0.4370287E+01 C2H4O 4 5.000 1-3.000 2 2.000 3 C2H4O 15.750 15.297 14.652 14.048 13.502 13.011 12.567 12.163 JA85 C2H4O 11.793 11.453 11.138 10.844 10.570 C2H4O 0.4035203E+02-0.1167589E+03-0.9080870E-05-0.9366629E+05-0.9357310E+01 C3 4 6.000 1 3.000 3-6.000 2 C3 99.196 79.914 63.883 53.579 46.429 41.197 37.214 34.088 JA85 C3 31.575 29.515 27.797 26.345 25.102 C3 -0.2984687E+02 0.3046445E+05-0.8233906E-03-0.5529440E+05 0.1120742E+02 C3O2 4 4.000 1 3.000 3-4.000 2 C3O2 27.890 23.709 20.265 18.078 16.577 15.491 14.673 14.037 JA85 C3O2 13.530 13.118 12.777 12.491 12.247 C3O2 -0.7152596E+01 0.6981160E+04-0.4845031E-03-0.2161036E+05 0.4855783E+01 C4 4 8.000 1 4.000 3-8.000 2 C4 115.356 93.943 76.115 64.632 56.648 50.791 46.321 42.804 JA85 C4 39.968 37.636 35.686 34.032 32.613 C4 -0.2345810E+02 0.3353602E+05-0.1003864E-02-0.4907810E+05 0.1098639E+02 C5 4 10.000 1 5.000 3-10.00 2 C5 105.416 86.895 71.526 61.668 54.841 49.852 46.058 43.084 JA85 C5 40.694 38.735 37.102 35.721 34.538 C5 -0.2443081E+02 0.2950923E+05-0.1198081E-02-0.5137653E+05 0.1285449E+02 Ca 4 1.000 1-2.000 5 1.00023 Ca 75.788 59.418 45.654 36.689 30.386 25.713 22.110 19.247 JA85 Ca 16.917 14.985 13.355 11.963 10.759 Ca -0.6971195E+01 0.2446509E+05-0.7859564E-04-0.2214420E+05 0.3942032E+00 CaBr 5 0.500 1-2.000 5 1.000 7 1.00023 CaBr 44.216 34.577 26.498 21.253 17.577 14.860 12.772 11.117 JA85 CaBr 9.775 8.664 7.730 6.934 6.248 CaBr -0.7600681E+01 0.1452508E+05-0.8414302E-04-0.8054611E+04 0.1299266E+01 CaBr2 4 -2.000 5 2.000 7 1.00023 CaBr2 -4.448 -3.550 -2.767 -2.239 -1.854 -1.560 -1.326 -1.136 JA85 CaBr2 -0.976 -0.841 -0.724 -0.622 -0.532 CaBr2 -0.3394424E+01-0.1204904E+04-0.5259921E-04 0.6281896E+04 0.1185185E+01 CaCl 4 0.500 1-1.000 5 1.00023 CaCl 44.308 34.639 26.520 21.240 17.533 14.788 12.674 10.997 JA85 CaCl 9.634 8.505 7.554 6.743 6.042 CaCl -0.5579409E+01 0.1447457E+05-0.3321809E-04-0.8407692E+04 0.5835504E+00 CaF 5 0.500 1-2.000 5 1.000 6 1.00023 CaF 46.634 36.464 27.886 22.278 18.322 15.380 13.105 11.292 JA85 CaF 9.812 8.582 7.542 6.651 5.878 CaF -0.1221473E+01 0.1506509E+05 0.1454278E-04-0.2010586E+05-0.9906649E+00 CaF2 4 -2.000 5 2.000 6 1.00023 CaF2 8.079 6.320 4.778 3.729 2.963 2.375 1.906 1.521 JA85 CaF2 1.200 0.925 0.688 0.481 0.297 CaF2 0.6891292E+01 0.2348227E+04 0.1177330E-03-0.1770363E+05-0.2636643E+01 CaO 4 1.000 2-2.000 5 1.00023 CaO 94.347 74.244 57.471 46.632 39.067 33.495 29.226 25.854 JA85 CaO 23.126 20.875 18.987 17.382 16.001 CaO -0.2079289E+02 0.3037157E+05-0.3899487E-03 0.2813272E+05 0.5283211E+01 CaOH 5 0.500 1 1.000 2-2.000 5 1.00023 CaOH 55.276 43.487 33.584 27.137 22.606 19.247 16.657 14.599 JA85 CaOH 12.924 11.535 10.363 9.362 8.497 CaOH -0.3368619E+01 0.1746552E+05-0.2144493E-04 0.3609909E+04 0.1243957E-01 Ca(OH)2 4 2.000 2-2.000 5 1.00023 Ca(OH)2 28.433 22.815 18.104 15.038 12.882 11.281 10.045 9.061 JA85 Ca(OH)2 8.259 7.592 7.029 6.547 6.130 Ca(OH)2 0.2964519E+01 0.8027766E+04 0.4676810E-04 0.3370641E+05-0.7475866E+00 CaS 4 1.000 4-2.000 5 1.00023 CaS 69.711 54.664 42.259 34.349 28.896 24.929 21.926 19.581 JA85 CaS 17.705 16.174 14.904 13.835 12.925 CaS -0.3549971E+02 0.2343364E+05-0.7117387E-03 0.5609190E+05 0.1058631E+02 Ca2 4 2.000 1-4.000 5 2.00023 Ca2 151.878 119.674 92.693 75.193 62.941 53.895 46.949 41.453 JA85 Ca2 36.998 33.318 30.228 27.598 25.333 Ca2 -0.2533269E+02 0.4884919E+05-0.2570736E-03-0.4791977E+05 0.5651980E+01 Cl 3 -0.500 1 1.000 5 Cl 35.144 27.629 21.327 17.231 14.354 12.224 10.583 9.281 JA85 Cl 8.222 7.345 6.606 5.975 5.431 Cl -0.1791897E+01 0.1103218E+05 0.5718981E-04 0.1746841E+05-0.1130844E+00 ClF 4 -1.000 1 1.000 5 1.000 6 ClF 55.871 44.756 35.389 29.269 24.952 21.741 19.257 17.278 JA85 ClF 15.663 14.319 13.184 12.211 11.369 ClF 0.5899212E+01 0.1619935E+05 0.1425716E-03 0.7057856E+04-0.1811722E+01 ClF3 4 -2.000 1 1.000 5 3.000 6 ClF3 140.615 114.038 91.602 76.913 66.531 58.792 52.795 48.006 JA85 ClF3 44.090 40.827 38.063 35.692 33.634 ClF3 0.2704233E+02 0.3842442E+05 0.3610190E-03 0.2087411E+05-0.6323027E+01 ClF5 4 -3.000 1 1.000 5 5.000 6 ClF5 232.233 189.171 152.793 128.956 112.094 99.516 89.760 81.963 JA85 ClF5 75.583 70.261 65.751 61.878 58.514 ClF5 0.5163202E+02 0.6209314E+05 0.5581821E-03 0.3305419E+05-0.1139603E+02 ClF5S 5 -4.000 1 1.000 4 1.000 5 5.000 6 ClF5S 99.007 83.397 70.047 61.173 54.807 49.995 46.214 43.156 JA85 ClF5S 40.626 38.492 36.666 35.083 33.696 ClF5S 0.6395995E+02 0.2082412E+05 0.8680613E-03 0.5686434E+05-0.1442587E+02 ClO 4 -1.500 1 1.000 2 1.000 5 ClO 73.813 58.486 45.608 37.220 31.322 26.947 23.572 20.890 JA85 ClO 18.707 16.896 15.369 14.065 12.938 ClO 0.7096867E+00 0.2247432E+05 0.1728739E-03 0.2168199E+05-0.1039169E+01 ClO2 4 -2.500 1 2.000 2 1.000 5 ClO2 118.206 94.230 74.053 60.888 51.614 44.724 39.401 35.163 JA85 ClO2 31.709 28.839 26.416 24.343 22.550 ClO2 0.8352793E+01 0.3495342E+05 0.3334981E-03 0.3179284E+05-0.3167667E+01 ClO3F 5 -4.000 1 3.000 2 1.000 5 1.000 6 ClO3F 193.935 156.197 124.330 103.457 88.700 77.696 69.166 62.353 JA85 ClO3F 56.781 52.137 48.205 44.830 41.902 ClO3F 0.3611214E+02 0.5434499E+05 0.7116241E-03 0.4088662E+05-0.1015313E+02 Cl2O 4 -2.000 1 1.000 2 2.000 5 Cl2O 91.837 73.736 58.539 48.647 41.693 36.537 32.561 29.402 JA85 Cl2O 26.832 24.700 22.903 21.368 20.042 Cl2O 0.5524472E+01 0.2646123E+05 0.2148552E-03 0.3989774E+05-0.1192936E+01 cobalt 4 1.000 1-2.000 5 1.00026 cobalt 52.343 40.526 30.613 24.169 19.647 16.299 13.722 11.676 JA85 cobalt 10.014 8.636 7.476 6.486 5.630 cobalt -0.8812521E+01 0.1763172E+05-0.8772668E-04 0.1047944E+04 0.8215170E+00 CoCl:Co 4 0.500 1-1.000 5 1.00026 CoCl:Co 30.449 23.627 17.936 14.260 11.697 9.811 8.368 7.229 JA85 CoCl:Co 6.310 5.553 4.920 4.382 3.921 CoCl:Co -0.8660192E+01 0.1033117E+05-0.4201696E-04 0.6765319E+04 0.1776055E+01 (CoCl2)2 2 2.00026 (CoCl2)2 -20.930 -15.175 -10.323 -7.155 -4.923 -3.265 -1.985 -0.965 JA85 (CoCl2)2 -0.135 0.555 1.137 1.635 2.065 (CoCl2)2 0.6753044E+01-0.8567651E+04-0.3228474E-04 0.1324874E+05 0.3691756E+00 CoCl3 4 -0.500 1 1.000 5 1.00026 CoCl3 8.415 7.673 7.139 6.847 6.677 6.575 6.514 6.479 JA85 CoCl3 6.460 6.454 6.455 6.461 6.472 CoCl3 -0.2115963E+01 0.1131026E+04-0.5667048E-04 0.5339388E+05 0.2486887E+01 CoF2:Co 4 -2.000 5 2.000 6 1.00026 CoF2:Co 17.084 13.574 10.595 8.634 7.241 6.199 5.388 4.739 JA85 CoF2:Co 4.205 3.759 3.380 3.054 2.770 CoF2:Co 0.3210630E+01 0.5080348E+04 0.4681495E-04-0.8150531E+04-0.1248169E+01 Cr 4 2.000 1-4.000 5 1.00025 Cr 64.253 48.242 34.827 26.127 20.036 15.539 12.085 9.352 JA85 Cr 7.137 5.305 3.766 2.455 1.325 Cr -0.2598029E+02 0.2444840E+05-0.3166589E-03-0.3683791E+05 0.3532828E+01 CrO 5 1.000 1 1.000 2-4.000 5 1.00025 CrO 69.607 52.426 37.981 28.575 21.967 17.070 13.298 10.304 JA85 CrO 7.869 5.851 4.152 2.701 1.448 CrO -0.1898954E+02 0.2585736E+05-0.6253461E-04-0.4005578E+05 0.9455669E+00 CrO2 4 2.000 2-4.000 5 1.00025 CrO2 67.260 50.832 36.990 27.955 21.590 16.863 13.213 10.309 JA85 CrO2 7.943 5.979 4.321 2.904 1.678 CrO2 -0.1137447E+02 0.2438344E+05 0.1322837E-03-0.2775589E+05-0.1161966E+01 CrO3 5 -1.000 1 3.000 2-4.000 5 1.00025 CrO3 74.702 57.412 42.823 33.280 26.542 21.527 17.645 14.550 JA85 CrO3 12.024 9.921 8.144 6.621 5.302 CrO3 -0.1642360E+01 0.2521740E+05 0.2954894E-03-0.3466045E+04-0.3347993E+01 cesium 4 0.500 1-1.000 5 1.00034 cesium 37.159 29.253 22.600 18.262 15.208 12.941 11.192 9.800 JA85 cesium 8.666 7.724 6.929 6.249 5.660 cesium -0.1800908E+01 0.1175688E+05-0.3696539E-04-0.9042578E+04-0.1455450E+00 (CsCl)2 2 2.00034 (CsCl)2 -24.724 -18.413 -13.129 -9.704 -7.306 -5.536 -4.177 -3.101 JA85 (CsCl)2 -2.230 -1.509 -0.904 -0.389 0.055 (CsCl)2 0.9991602E+01-0.9539422E+04 0.6780940E-04 0.3743700E+04-0.1124525E+01 CsF 4 -1.000 5 1.000 6 1.00034 CsF 11.318 9.023 7.059 5.757 4.825 4.123 3.573 3.130 JA85 CsF 2.765 2.457 2.195 1.968 1.769 CsF 0.3940762E+01 0.3268659E+04 0.5324918E-04-0.1024553E+05-0.1409010E+01 (CsF)2 4 -2.000 5 2.000 6 2.00034 (CsF)2 -1.395 0.244 1.532 2.309 2.813 3.157 3.400 3.576 JA85 (CsF)2 3.705 3.802 3.874 3.929 3.969 (CsF)2 0.1775025E+02-0.2856709E+04 0.1415119E-03-0.1785525E+05-0.3800892E+01 CsO 5 -0.500 1 1.000 2-1.000 5 1.00034 CsO 75.974 60.043 46.657 37.940 31.812 27.268 23.764 20.980 JA85 CsO 18.715 16.837 15.253 13.900 12.731 CsO -0.1961466E+01 0.2353481E+05 0.8740341E-04 0.6974527E+04-0.4466644E+00 CsOH 4 1.000 2-1.000 5 1.00034 CsOH 22.986 18.403 14.556 12.052 10.292 8.986 7.979 7.179 JA85 CsOH 6.527 5.986 5.530 5.140 4.803 CsOH 0.1116854E+01 0.6687360E+04 0.3047917E-04 0.1213241E+05-0.2852925E+00 (CsOH)2 4 2.000 2-2.000 5 2.00034 (CsOH)2 24.132 20.824 17.873 15.827 14.305 13.117 12.155 11.357 JA85 (CsOH)2 10.679 10.095 9.585 9.133 8.730 (CsOH)2 0.3101604E+02 0.3902522E+04 0.3351397E-03-0.1955392E+05-0.8023293E+01 (CES.)2 4 1.000 1-2.000 5 2.00034 (CES.)2 69.798 55.620 43.737 36.022 30.614 26.617 23.544 21.110 JA85 (CES.)2 19.137 17.505 16.135 14.968 13.964 (CES.)2 -0.2987704E+01 0.2109798E+05 0.1651842E-03 0.1005145E+05 0.7518486E+00 Cs2O 4 1.000 2-2.000 5 2.00034 Cs2O 78.515 62.822 49.623 41.019 34.965 30.472 27.006 24.249 JA85 Cs2O 22.004 20.140 18.568 17.225 16.063 Cs2O 0.2756451E+01 0.2317414E+05 0.8233001E-04-0.3761687E+03-0.8034994E+00 Cs2SO4 6 -4.000 1 1.000 4-2.000 5 2.00034 4.000 2 Cs2SO4 37.031 31.299 26.322 22.953 20.497 18.611 17.109 15.879 JA85 Cs2SO4 14.850 13.974 13.218 12.557 11.975 Cs2SO4 0.4076101E+02 0.6687546E+04 0.8561739E-03 0.5485260E+05-0.1092472E+02 Cu 4 0.500 1-1.000 5 1.00014 Cu 24.365 18.929 14.352 11.367 9.265 7.704 6.499 5.540 JA85 Cu 4.758 4.109 3.561 3.091 2.685 Cu -0.2395424E+01 0.8091796E+04-0.3426626E-04-0.7954894E+04-0.1131022E+00 (CuCl)3 2 3.00014 (CuCl)3 -78.438 -59.732 -44.062 -33.896 -26.776 -21.516 -17.475 -14.277 JA85 (CuCl)3 -11.684 -9.540 -7.740 -6.207 -4.887 (CuCl)3 0.2168746E+02-0.2811402E+05 0.3059889E-04 0.4178839E+04-0.2378999E+01 CuF 4 -1.000 5 1.000 6 1.00014 CuF 13.427 10.682 8.335 6.779 5.666 4.828 4.172 3.643 JA85 CuF 3.207 2.840 2.527 2.256 2.019 CuF 0.4521418E+01 0.3905035E+04 0.5766007E-04-0.1084849E+05-0.1651741E+01 CuF2 5 -0.500 1-1.000 5 2.000 6 1.00014 CuF2 20.285 16.859 13.908 11.935 10.512 9.432 8.580 7.889 JA85 CuF2 7.314 6.829 6.412 6.049 5.731 CuF2 0.1353246E+02 0.4618734E+04 0.1725228E-03-0.4572672E+04-0.3531603E+01 CuO 5 -0.500 1 1.000 2-1.000 5 1.00014 CuO 60.711 47.868 37.072 30.041 25.096 21.429 18.600 16.353 JA85 CuO 14.524 13.006 11.727 10.634 9.690 CuO -0.1805210E+01 0.1896904E+05 0.8116447E-04 0.3851460E+04-0.4743408E+00 F 3 -0.500 1 1.000 6 F 59.161 46.732 36.269 29.441 24.632 21.060 18.300 16.104 JA85 F 14.313 12.826 11.570 10.495 9.564 F 0.1798386E+00 0.1831750E+05 0.4954469E-04-0.2934278E+04-0.9852115E+00 FO 4 -1.500 1 1.000 2 1.000 6 FO 106.682 84.691 66.167 54.071 45.545 39.207 34.308 30.407 JA85 FO 27.225 24.580 22.346 20.434 18.779 FO 0.5751679E+01 0.3218772E+05 0.2501866E-03 0.6966042E+04-0.2901980E+01 FO2 4 -2.500 1 2.000 2 1.000 6 FO2 133.005 105.881 83.028 68.101 57.576 49.749 43.698 38.878 JA85 FO2 34.945 31.676 28.914 26.550 24.503 FO2 0.1040736E+02 0.3957090E+05 0.3904559E-03 0.1646035E+05-0.4213237E+01 FS2F 4 -3.000 1 2.000 4 2.000 6 FS2F 47.744 38.903 31.447 26.565 23.114 20.542 18.549 16.958 JA85 FS2F 15.659 14.579 13.666 12.884 12.208 FS2F 0.1523011E+02 0.1233530E+05 0.5495590E-03 0.4677493E+05-0.3859064E+01 F2O 4 -2.000 1 1.000 2 2.000 6 F2O 143.858 115.192 91.020 75.218 64.067 55.767 49.346 44.225 JA85 F2O 40.045 36.566 33.625 31.105 28.922 F2O 0.1624690E+02 0.4174973E+05 0.3745099E-03 0.1251164E+05-0.5120557E+01 Fe 4 1.000 1-2.000 5 1.00010 Fe 58.653 45.569 34.600 27.477 22.485 18.794 15.956 13.708 JA85 Fe 11.884 10.374 9.105 8.024 7.091 Fe -0.1107755E+02 0.1968277E+05-0.7504468E-04-0.9611812E+04 0.1553770E+01 FeBr2 4 -2.000 5 2.000 7 1.00010 FeBr2 -2.886 -2.444 -2.046 -1.767 -1.558 -1.393 -1.259 -1.146 JA85 FeBr2 -1.051 -0.968 -0.895 -0.831 -0.773 FeBr2 -0.4717335E+01-0.4647989E+03-0.7397963E-04 0.2605752E+02 0.1378913E+01 (FeBr2)2 4 -4.000 5 4.000 7 2.00010 (FeBr2)2 -27.316 -20.457 -14.680 -10.909 -8.251 -6.275 -4.748 -3.531 JA85 (FeBr2)2 -2.539 -1.713 -1.016 -0.418 0.099 (FeBr2)2 0.4767560E+01-0.1007222E+05-0.1500345E-04-0.7251633E+03 0.6916422E+00 FeCl 4 0.500 1-1.000 5 1.00010 FeCl 48.340 37.779 28.894 23.104 19.031 16.010 13.680 11.829 JA85 FeCl 10.323 9.074 8.020 7.121 6.344 FeCl -0.3619620E+01 0.1571109E+05 0.6412642E-04-0.1223070E+05-0.2494100E+00 (FeCl2)2 2 2.00010 (FeCl2)2 -19.166 -13.929 -9.574 -6.770 -4.820 -3.389 -2.297 -1.438 JA85 (FeCl2)2 -0.745 -0.175 0.301 0.704 1.050 (FeCl2)2 0.1290335E+02-0.8011491E+04 0.1286069E-03-0.7236227E+04-0.2083540E+01 FeCl3 4 -0.500 1 1.000 5 1.00010 FeCl3 0.530 1.219 1.779 2.129 2.366 2.535 2.661 2.758 JA85 FeCl3 2.834 2.895 2.946 2.988 3.024 FeCl3 0.7607559E+01-0.1204935E+04 0.1484854E-03 0.2887017E+04-0.1258044E+01 (FeCl3)2 4 -1.000 1 2.000 5 2.00010 (FeCl3)2 -16.977 -10.404 -4.962 -1.479 0.928 2.683 4.014 5.055 JA85 (FeCl3)2 5.889 6.571 7.137 7.614 8.022 (FeCl3)2 0.2929793E+02-0.1043382E+05 0.3352522E-03 0.8396404E+04-0.4637063E+01 FeF 5 0.500 1-2.000 5 1.000 6 1.00010 FeF 44.640 34.839 26.542 21.099 17.247 14.374 12.146 10.367 JA85 FeF 8.912 7.700 6.673 5.793 5.029 FeF 0.2591187E+01 0.1436976E+05 0.1768707E-03-0.2594624E+05-0.2387810E+01 FeF2 4 -2.000 5 2.000 6 1.00010 FeF2 20.287 16.269 12.843 10.574 8.953 7.731 6.775 6.004 JA85 FeF2 5.368 4.833 4.377 3.983 3.638 FeF2 0.9276760E+01 0.5476905E+04 0.1989839E-03 0.1081713E+05-0.3047308E+01 FeF3 5 -0.500 1-2.000 5 3.000 6 1.00010 FeF3 -3.780 -2.289 -1.195 -0.596 -0.250 -0.046 0.071 0.134 JA85 FeF3 0.162 0.166 0.154 0.131 0.101 FeF3 0.2459207E+02-0.3054573E+04 0.3812722E-03-0.2695362E+05-0.7249103E+01 Fe(OH)2 4 2.000 2-2.000 5 1.00010 Fe(OH)2 20.222 16.319 12.936 10.656 8.999 7.731 6.724 5.902 JA85 Fe(OH)2 5.215 4.631 4.127 3.687 3.298 Fe(OH)2 0.1788140E+02 0.4917610E+04 0.3292237E-03 0.1140395E+05-0.5811260E+01 FeS 4 1.000 4-2.000 5 1.00010 FeS 54.546 42.309 32.028 25.337 20.637 17.156 14.476 12.351 JA85 FeS 10.624 9.195 7.993 6.968 6.085 FeS -0.6236635E+01 0.1820579E+05 0.1955493E-03-0.7775710E+04-0.1013519E+00 Ga 4 1.500 1-3.000 5 1.00031 Ga 63.850 48.855 36.318 28.201 22.526 18.341 15.131 12.593 JA85 Ga 10.537 8.840 7.416 6.204 5.161 Ga -0.2001061E+02 0.2267101E+05-0.1911536E-03 0.1724191E+04 0.3176188E+01 H 2 0.500 1 H 35.613 27.927 21.448 17.214 14.227 12.005 10.287 8.917 JA85 H 7.799 6.869 6.083 5.410 4.826 H 0.6399540E+00 0.1124920E+05 0.6843049E-04-0.3889658E+03-0.1120664E+01 HCO 4 1.500 1-1.000 2 1.000 3 HCO 34.007 27.118 21.306 17.509 14.833 12.845 11.309 10.086 JA85 HCO 9.090 8.261 7.561 6.962 6.443 HCO -0.6143676E+00 0.1040504E+05-0.8050091E-04-0.3135412E+05 0.4016467E-01 HClO 4 -1.000 1 1.000 5 1.000 2 HClO 45.932 36.781 29.074 24.041 20.491 17.851 15.810 14.183 JA85 HClO 12.856 11.753 10.821 10.022 9.331 HClO 0.5415127E+01 0.1325434E+05 0.1662452E-03 0.1577463E+05-0.1683403E+01 (HF)2 2 2.000 6 (HF)2 1.114 1.973 2.576 2.883 3.040 3.115 3.141 3.138 JA85 (HF)2 3.116 3.082 3.040 2.994 2.944 (HF)2 0.2101731E+02-0.1933260E+04 0.1790220E-03-0.1618660E+05-0.5371102E+01 (HF)3 2 3.000 6 (HF)3 1.796 3.778 5.236 6.031 6.484 6.744 6.887 6.956 JA85 (HF)3 6.976 6.964 6.929 6.880 6.820 (HF)3 0.4108363E+02-0.4293433E+04 0.3414746E-03-0.1032308E+05-0.1005205E+02 (HF)4 2 4.000 6 (HF)4 2.196 5.244 7.513 8.775 9.514 9.955 10.213 10.356 JA85 (HF)4 10.421 10.435 10.412 10.363 10.298 (HF)4 0.5833705E+02-0.6404556E+04 0.4373840E-03-0.1501836E+05-0.1399169E+02 (HF)5 2 5.000 6 (HF)5 2.470 6.626 9.741 11.492 12.532 13.165 13.549 13.772 JA85 (HF)5 13.889 13.933 13.925 13.882 13.813 (HF)5 0.7514931E+02-0.8525057E+04 0.5018562E-03-0.2513653E+05-0.1776283E+02 (HF)6 2 6.000 6 (HF)6 0.699 6.386 10.704 13.176 14.681 15.628 16.230 16.608 JA85 (HF)6 16.836 16.960 17.010 17.008 16.968 (HF)6 0.9286958E+02-0.1135674E+05 0.6190690E-03-0.2688586E+05-0.2180777E+02 (HF)7 2 7.000 6 (HF)7 3.017 9.423 14.263 17.012 18.669 19.698 20.339 20.731 JA85 (HF)7 20.955 21.064 21.091 21.061 20.990 (HF)7 0.1106237E+03-0.1297813E+05 0.7389989E-03-0.2969362E+05-0.2585001E+02 OH 3 -0.500 1 1.000 2 OH 46.046 36.172 27.903 22.537 18.777 15.998 13.862 12.170 JA85 OH 10.797 9.661 8.707 7.894 7.194 OH -0.5171238E+01 0.1467446E+05 0.3398783E-04 0.1381748E+05 0.7408916E+00 HO2 3 -1.500 1 2.000 2 HO2 82.609 65.488 51.063 41.642 34.999 30.059 26.240 23.198 JA85 HO2 20.716 18.653 16.910 15.418 14.125 HO2 0.4876028E+01 0.2500301E+05 0.2212901E-03 0.8529862E+04-0.2541785E+01 HS 3 -0.500 1 1.000 4 HS 24.245 18.803 14.252 11.305 9.245 7.726 6.562 5.642 JA85 HS 4.899 4.287 3.774 3.339 2.967 HS -0.4339237E+01 0.8108577E+04 0.1331301E-03 0.8659804E+04 0.5055168E+00 HSO3F 5 -4.000 1 3.000 2 1.000 4 1.000 6 HSO3F 53.162 43.723 35.629 30.231 26.349 23.407 21.091 19.214 JA85 HSO3F 17.659 16.347 15.223 14.248 13.394 HSO3F 0.3728403E+02 0.1229886E+05 0.7900262E-03 0.4404138E+05-0.1054932E+02 HgBr 4 -0.500 1 1.000 7 1.00041 HgBr 15.804 13.029 10.726 9.245 8.217 7.463 6.888 6.437 JA85 HgBr 6.073 5.774 5.525 5.314 5.134 HgBr -0.8945779E+00 0.4193510E+04-0.3404030E-04 0.1096744E+05 0.1018507E+01 HgBr2 4 -1.000 1 2.000 7 1.00041 HgBr2 -6.612 -3.986 -1.742 -0.256 0.803 1.598 2.219 2.718 JA85 HgBr2 3.128 3.472 3.765 4.018 4.239 HgBr2 0.3893166E+01-0.3914715E+04 0.2947666E-05 0.2589352E+05 0.9427308E+00 HgCl 4 -0.500 1 1.000 5 1.00041 HgCl 21.070 17.227 14.014 11.931 10.474 9.398 8.571 7.917 JA85 HgCl 7.387 6.949 6.581 6.267 5.997 HgCl 0.6176954E+00 0.5723103E+04-0.1058042E-04 0.7401181E+04 0.4755631E+00 HgCl2 4 -1.000 1 2.000 5 1.00041 HgCl2 2.400 3.220 3.920 4.380 4.704 4.946 5.132 5.281 JA85 HgCl2 5.402 5.503 5.588 5.661 5.724 HgCl2 0.7614788E+01-0.1386927E+04 0.6436250E-04 0.2139840E+05-0.3326005E+00 HgF 4 -0.500 1 1.000 6 1.00041 HgF 39.471 31.895 25.508 21.334 18.389 16.198 14.503 13.152 JA85 HgF 12.049 11.131 10.355 9.691 9.115 HgF 0.5321668E+01 0.1106015E+05 0.7931992E-04 0.2038574E+04-0.1209619E+01 HgF2 4 -1.000 1 2.000 6 1.00041 HgF2 39.836 33.058 27.294 23.490 20.781 18.748 17.161 15.885 JA85 HgF2 14.836 13.956 13.206 12.560 11.996 HgF2 0.1665484E+02 0.9545391E+04 0.1770754E-03 0.1479927E+04-0.3598251E+01 HgH 3 0.500 1 1.00041 HgH 32.105 25.841 20.525 17.025 14.540 12.679 11.230 10.069 JA85 HgH 9.116 8.318 7.640 7.056 6.548 HgH 0.7947456E+01 0.9002439E+04 0.9722919E-04-0.8081812E+04-0.2414638E+01 HgO 4 -1.000 1 1.000 2 1.00041 HgO 38.622 30.800 24.233 19.960 16.957 14.732 13.016 11.654 JA85 HgO 10.546 9.627 8.853 8.193 7.623 HgO 0.1075708E+01 0.1145777E+05 0.1076001E-03 0.1558243E+05-0.4407317E+00 K 4 0.500 1-1.000 5 1.000 9 K 34.795 27.344 21.070 16.977 14.094 11.953 10.299 8.983 JA85 K 7.910 7.019 6.267 5.623 5.065 K -0.1069001E+01 0.1102956E+05 0.5023091E-05-0.6292864E+04-0.4283909E+00 KBr 4 -1.000 5 1.000 7 1.000 9 KBr -3.707 -2.952 -2.303 -1.871 -1.562 -1.328 -1.144 -0.996 JA85 KBr -0.873 -0.769 -0.681 -0.604 -0.537 KBr -0.1386565E+01-0.1079701E+04-0.1065876E-04 0.5109309E+04 0.5037596E+00 (KBr)2 4 -2.000 5 2.000 7 2.000 9 (KBr)2 -32.501 -24.646 -18.039 -13.733 -10.704 -8.457 -6.723 -5.345 JA85 (KBr)2 -4.223 -3.292 -2.506 -1.835 -1.255 (KBr)2 0.6092358E+01-0.1165943E+05-0.1261313E-04 0.5377903E+04 0.1841985E+00 KCN 7 2.500 1-2.000 2 1.000 3-1.000 5 1.000 9 0.50037 KCN 22.593 18.670 15.402 13.299 11.838 10.767 9.951 9.309 JA85 KCN 8.792 8.367 8.012 7.711 7.452 KCN -0.4469679E+01 0.6290231E+04-0.2682054E-03-0.2200744E+05 0.2543091E+01 (KCl)2 2 2.000 9 (KCl)2 -26.440 -19.819 -14.276 -10.681 -8.164 -6.305 -4.877 -3.747 JA85 (KCl)2 -2.831 -2.074 -1.438 -0.896 -0.429 (KCl)2 0.9367098E+01-0.9959750E+04 0.4072181E-04 0.3387859E+03-0.9771111E+00 KF 4 -1.000 5 1.000 6 1.000 9 KF 12.038 9.594 7.504 6.118 5.128 4.382 3.798 3.327 JA85 KF 2.939 2.613 2.334 2.093 1.882 KF 0.3857472E+01 0.3499063E+04 0.3629700E-04-0.1161643E+05-0.1388398E+01 (KF)2 4 -2.000 5 2.000 6 2.000 9 (KF)2 -5.613 -3.143 -1.155 0.076 0.901 1.482 1.908 2.229 JA85 (KF)2 2.477 2.672 2.827 2.952 3.054 (KF)2 0.1782193E+02-0.4106031E+04 0.1526500E-03-0.1616353E+05-0.3850133E+01 KH 4 1.000 1-1.000 5 1.000 9 KH 42.198 33.531 26.198 21.387 17.982 15.440 13.468 11.891 JA85 KH 10.600 9.523 8.609 7.825 7.143 KH 0.5239596E+01 0.1262851E+05 0.6731283E-04-0.1210425E+05-0.2134521E+01 KO 5 -0.500 1 1.000 2-1.000 5 1.000 9 KO 73.004 57.675 44.795 36.406 30.509 26.136 22.764 20.084 JA85 KO 17.904 16.095 14.570 13.268 12.142 KO -0.1946366E+01 0.2264191E+05 0.7644317E-04 0.6869668E+04-0.4409488E+00 KOH 4 1.000 2-1.000 5 1.000 9 KOH 23.287 18.658 14.772 12.241 10.462 9.142 8.124 7.314 JA85 KOH 6.654 6.106 5.644 5.249 4.908 KOH 0.1382914E+01 0.6740856E+04 0.3098942E-04 0.1308933E+05-0.3480857E+00 (KOH)2 4 2.000 2-2.000 5 2.000 9 (KOH)2 20.931 18.255 15.834 14.134 12.855 11.847 11.024 10.336 JA85 (KOH)2 9.749 9.239 8.791 8.393 8.036 (KOH)2 0.3055799E+02 0.2999572E+04 0.3067959E-03-0.2258214E+05-0.7890696E+01 K2 4 1.000 1-2.000 5 2.000 9 K2 63.782 50.774 39.777 32.574 27.483 23.691 20.754 18.413 JA85 K2 16.500 14.909 13.565 12.413 11.416 K2 0.7549503E+01 0.1903330E+05 0.3424766E-03-0.2227035E+05-0.3013625E+01 K2SO4 6 -4.000 1 1.000 4-2.000 5 2.000 9 4.000 2 K2SO4 33.419 28.482 24.174 21.243 19.094 17.438 16.113 15.024 JA85 K2SO4 14.109 13.329 12.653 12.061 11.538 K2SO4 0.4049233E+02 0.5547601E+04 0.8201024E-03 0.5268670E+05-0.1071651E+02 Li 4 0.500 1-1.000 5 1.00032 Li 43.548 34.292 26.507 21.433 17.865 15.218 13.176 11.553 JA85 Li 10.232 9.135 8.210 7.419 6.735 Li -0.2906105E+01 0.1381995E+05-0.5067242E-04-0.1326263E+05 0.1075189E+00 LiAlF4 5 -1.000 5 1.000 6 1.00013 1.00032 LiAlF4 -39.025 -29.631 -21.793 -16.732 -13.204 -10.611 -8.629 -7.067 JA85 LiAlF4 -5.807 -4.771 -3.905 -3.171 -2.542 LiAlF4 0.1627380E+02-0.1438535E+05 0.6323222E-04 0.6673313E+04-0.2887123E+01 LiBr 4 -1.000 5 1.000 7 1.00032 LiBr -2.454 -1.948 -1.507 -1.208 -0.990 -0.823 -0.690 -0.582 JA85 LiBr -0.491 -0.414 -0.347 -0.289 -0.238 LiBr -0.2245418E+01-0.6513512E+03-0.5168996E-04 0.1726301E+04 0.7969817E+00 (LiBr)2 4 -2.000 5 2.000 7 2.00032 (LiBr)2 -31.692 -23.893 -17.316 -13.018 -9.988 -7.736 -5.995 -4.609 JA85 (LiBr)2 -3.479 -2.539 -1.746 -1.066 -0.478 (LiBr)2 0.5588321E+01-0.1160309E+05-0.1611288E-04 0.1921737E+05 0.5760064E+00 LiClO 4 -1.000 1 1.00032 1.000 2 LiClO 74.922 60.000 47.427 39.214 33.422 29.115 25.784 23.130 JA85 LiClO 20.965 19.164 17.642 16.340 15.212 LiClO 0.7693777E+01 0.2174747E+05 0.2050027E-03 0.1099336E+05-0.2383531E+01 (LiCl)2 2 2.00032 (LiCl)2 -29.124 -21.832 -15.708 -11.726 -8.932 -6.864 -5.272 -4.010 JA85 (LiCl)2 -2.984 -2.136 -1.422 -0.813 -0.288 (LiCl)2 0.8929613E+01-0.1096724E+05 0.1112059E-04 0.1144213E+05-0.5663689E+00 (LiCl)3 2 3.00032 (LiCl)3 -57.327 -42.652 -30.388 -22.456 -16.919 -12.842 -9.722 -7.260 JA85 (LiCl)3 -5.271 -3.633 -2.261 -1.097 -0.099 (LiCl)3 0.2751580E+02-0.2245586E+05 0.1092023E-03 0.2108874E+05-0.3958570E+01 LiF 4 -1.000 5 1.000 6 1.00032 LiF 6.269 4.978 3.843 3.068 2.501 2.064 1.716 1.430 JA85 LiF 1.190 0.985 0.807 0.652 0.514 LiF 0.5423286E+01 0.1744292E+04 0.6749008E-04-0.1728120E+05-0.1952135E+01 LiFO 6 -1.000 1-1.000 5 1.000 6 1.00032 1.000 2 LiFO 92.855 74.286 58.619 48.371 41.135 35.748 31.577 28.251 JA85 LiFO 25.534 23.272 21.359 19.720 18.298 LiFO 0.1063173E+02 0.2706611E+05 0.2304530E-03 0.1335047E+03-0.3486495E+01 (LiF)2 4 -2.000 5 2.000 6 2.00032 (LiF)2 -25.809 -19.188 -13.718 -10.226 -7.819 -6.068 -4.744 -3.712 JA85 (LiF)2 -2.888 -2.218 -1.664 -1.199 -0.804 (LiF)2 0.2048526E+02-0.1043892E+05 0.1725143E-03-0.3839365E+04-0.4562745E+01 (LiF)3 4 -3.000 5 3.000 6 3.00032 (LiF)3 -53.115 -39.568 -28.354 -21.177 -16.217 -12.601 -9.860 -7.718 JA85 (LiF)3 -6.004 -4.605 -3.446 -2.472 -1.644 (LiF)3 0.3742427E+02-0.2113480E+05 0.2394721E-03-0.1294669E+05-0.7912352E+01 LiH 4 1.000 1-1.000 5 1.00032 LiH 42.012 33.384 26.071 21.265 17.859 15.314 13.337 11.754 JA85 LiH 10.458 9.375 8.457 7.667 6.980 LiH 0.5980413E+01 0.1259501E+05 0.8057494E-04-0.2267912E+05-0.2417194E+01 LiNaO 5 1.000 2-2.000 5 1.000 8 1.00032 LiNaO 57.831 46.192 36.355 29.911 25.354 21.957 19.324 17.222 JA85 LiNaO 15.503 14.071 12.858 11.817 10.914 LiNaO 0.7255417E+01 0.1698598E+05 0.1348172E-03-0.1219870E+05-0.2545483E+01 LiO 5 -0.500 1 1.000 2-1.000 5 1.00032 LiO 72.001 56.881 44.170 35.889 30.065 25.745 22.413 19.764 JA85 LiO 17.609 15.820 14.311 13.023 11.909 LiO -0.1653599E+01 0.2234638E+05 0.7445334E-04 0.2088379E+04-0.5420184E+00 LiOH 4 1.000 2-1.000 5 1.00032 LiOH 19.649 15.747 12.474 10.344 8.847 7.737 6.881 6.201 JA85 LiOH 5.647 5.187 4.799 4.468 4.181 LiOH 0.8988791E+00 0.5690708E+04 0.1302139E-04 0.1175478E+05-0.1910647E+00 (LiOH)2 4 2.000 2-2.000 5 2.00032 (LiOH)2 4.698 5.352 5.738 5.870 5.881 5.831 5.748 5.648 JA85 (LiOH)2 5.539 5.427 5.314 5.202 5.093 (LiOH)2 0.3050960E+02-0.1974363E+04 0.2794837E-03-0.1352604E+05-0.7727303E+01 Li2 4 1.000 1-2.000 5 2.00032 Li2 73.312 58.385 45.763 37.495 31.650 27.296 23.923 21.232 JA85 Li2 19.033 17.202 15.652 14.323 13.171 Li2 0.5977640E+01 0.2206092E+05 0.1152291E-03-0.4428184E+05-0.2503417E+01 Li2ClF 4 -1.000 5 1.000 6 2.00032 Li2ClF -24.244 -17.885 -12.608 -9.224 -6.879 -5.166 -3.864 -2.845 JA85 Li2ClF -2.028 -1.359 -0.803 -0.335 0.063 Li2ClF 0.1726282E+02-0.9907184E+04 0.1163144E-03 0.1482490E+03-0.3360115E+01 Li2O 4 1.000 2-2.000 5 2.00032 Li2O 49.962 40.017 31.609 26.098 22.200 19.293 17.039 15.239 JA85 Li2O 13.766 12.538 11.498 10.606 9.831 Li2O 0.7188534E+01 0.1449192E+05 0.1183766E-03-0.1032295E+05-0.2324493E+01 Li2O2 5 -1.000 1 2.000 2-2.000 5 2.00032 Li2O2 79.771 64.002 50.744 42.102 36.022 31.508 28.025 25.254 JA85 Li2O2 22.997 21.124 19.543 18.192 17.024 Li2O2 0.5260404E+01 0.2310687E+05 0.1523046E-03 0.1862063E+05-0.1311434E+01 Li2SO4 6 -4.000 1 1.000 4-2.000 5 2.00032 4.000 2 Li2SO4 35.468 30.026 25.298 22.096 19.758 17.962 16.531 15.357 JA85 Li2SO4 14.374 13.537 12.813 12.181 11.623 Li2SO4 0.3977686E+02 0.6287676E+04 0.8086849E-03 0.5633748E+05-0.1061766E+02 Mg 4 1.000 1-2.000 5 1.00022 Mg 56.191 43.687 33.174 26.328 21.516 17.950 15.202 13.019 JA85 Mg 11.243 9.770 8.529 7.468 6.552 Mg -0.8258742E+01 0.1879668E+05-0.1060274E-03-0.2634443E+05 0.7004903E+00 MgBr 5 0.500 1-2.000 5 1.000 7 1.00022 MgBr 32.548 25.200 19.050 15.063 12.274 10.216 8.636 7.387 JA85 MgBr 6.375 5.538 4.836 4.239 3.725 MgBr -0.8239835E+01 0.1113680E+05-0.7714181E-04-0.6533104E+04 0.1427110E+01 MgBr2 4 -2.000 5 2.000 7 1.00022 MgBr2 -3.910 -3.114 -2.415 -1.938 -1.589 -1.321 -1.106 -0.930 JA85 MgBr2 -0.782 -0.656 -0.547 -0.451 -0.366 MgBr2 -0.3549576E+01-0.1054337E+04-0.4890040E-04 0.8157815E+04 0.1252268E+01 (MgBr2)2 4 -4.000 5 4.000 7 2.00022 (MgBr2)2 -28.837 -21.551 -15.385 -11.341 -8.479 -6.343 -4.687 -3.363 JA85 (MgBr2)2 -2.280 -1.377 -0.612 0.044 0.613 (MgBr2)2 0.1683228E+01-0.1058843E+05-0.1418097E-03 0.8677890E+04 0.1995643E+01 MgCl 4 0.500 1-1.000 5 1.00022 MgCl 40.890 31.856 24.273 19.344 15.885 13.325 11.355 9.793 JA85 MgCl 8.524 7.473 6.589 5.834 5.183 MgCl -0.6639972E+01 0.1358960E+05-0.6087046E-04-0.1201736E+05 0.8501182E+00 MgClF 4 -1.000 5 1.000 6 1.00022 MgClF 0.969 0.797 0.621 0.485 0.376 0.285 0.208 0.141 JA85 MgClF 0.082 0.030 -0.016 -0.058 -0.096 MgClF 0.3954206E+01 0.1176527E+03 0.8176177E-04-0.7748683E+04-0.1340492E+01 (MgCl2)2 2 2.00022 (MgCl2)2 -22.629 -16.667 -11.671 -8.428 -6.156 -4.477 -3.187 -2.165 JA85 (MgCl2)2 -1.337 -0.652 -0.077 0.412 0.834 (MgCl2)2 0.8639881E+01-0.8921829E+04-0.3257197E-04-0.5592462E+03-0.5370557E+00 MgF 5 0.500 1-2.000 5 1.000 6 1.00022 MgF 38.693 30.069 22.787 18.022 14.658 12.154 10.217 8.672 JA85 MgF 7.411 6.361 5.473 4.712 4.052 MgF -0.1608714E+01 0.1280042E+05 0.3739709E-05-0.2413645E+05-0.9540701E+00 MgF2 4 -2.000 5 2.000 6 1.00022 MgF2 4.552 3.538 2.608 1.950 1.453 1.060 0.739 0.470 JA85 MgF2 0.240 0.041 -0.134 -0.289 -0.428 MgF2 0.8438572E+01 0.1205522E+04 0.1414984E-03-0.2250241E+05-0.3119440E+01 (MgF2)2 4 -4.000 5 4.000 6 2.00022 (MgF2)2 -28.101 -20.808 -14.848 -11.089 -8.529 -6.690 -5.316 -4.260 JA85 (MgF2)2 -3.427 -2.758 -2.213 -1.763 -1.387 (MgF2)2 0.3008161E+02-0.1173553E+05 0.2412827E-03-0.2391196E+05-0.7526742E+01 MgH 4 1.500 1-2.000 5 1.00022 MgH 61.120 47.814 36.570 29.208 24.008 20.135 17.136 14.743 JA85 MgH 12.788 11.160 9.783 8.601 7.577 MgH 0.1723788E-01 0.1969697E+05 0.2636782E-04-0.3673756E+05-0.1841116E+01 MgO 4 1.000 2-2.000 5 1.00022 MgO 82.631 64.480 48.708 38.079 30.373 24.497 19.846 16.061 JA85 MgO 12.909 10.239 7.942 5.943 4.185 MgO 0.5536566E+02 0.2475070E+05 0.1275726E-02-0.1438716E+06-0.2202959E+02 MgOH 5 0.500 1 1.000 2-2.000 5 1.00022 MgOH 46.303 36.271 27.841 22.352 18.492 15.630 13.423 11.669 JA85 MgOH 10.241 9.056 8.056 7.202 6.464 MgOH -0.3404166E+01 0.1486207E+05-0.1956716E-04 0.1406455E+04-0.6079886E-01 Mg(OH)2 4 2.000 2-2.000 5 1.00022 Mg(OH)2 21.571 17.379 13.850 11.543 9.914 8.699 7.757 7.004 JA85 Mg(OH)2 6.388 5.874 5.438 5.064 4.738 Mg(OH)2 0.4427213E+01 0.5905612E+04 0.4536815E-04 0.2415622E+05-0.1191777E+01 MgS 4 1.000 4-2.000 5 1.00022 MgS 59.327 45.974 34.354 26.510 20.816 16.468 13.024 10.219 JA85 MgS 7.883 5.903 4.200 2.719 1.416 MgS 0.4425847E+02 0.1792237E+05 0.1239393E-02-0.9410036E+05-0.1792503E+02 Mg2 4 2.000 1-4.000 5 2.00022 Mg2 114.212 89.458 68.695 55.212 45.764 38.782 33.416 29.168 JA85 Mg2 25.722 22.873 20.479 18.440 16.684 Mg2 -0.2041741E+02 0.3757403E+05-0.1735124E-03-0.5495422E+05 0.3748508E+01 Mn 4 1.000 1-2.000 5 1.00028 Mn 57.210 44.425 33.665 26.652 21.718 18.057 15.234 12.989 JA85 Mn 11.162 9.645 8.366 7.273 6.327 Mn -0.6947426E+01 0.1913081E+05-0.5267530E-04-0.2548773E+05 0.1191648E+00 Mo 4 3.000 1 1.00017-4.000 2 Mo 85.194 66.155 50.317 40.132 33.060 27.883 23.939 20.843 JA85 Mo 18.354 16.312 14.610 13.171 11.940 Mo -0.3982000E+02 0.2994002E+05-0.6671166E-03-0.4830553E+05 0.1023952E+02 MoBr 5 2.500 1 1.000 7 1.00017-4.000 2 MoBr 58.639 45.432 34.523 27.565 22.775 19.296 16.669 14.624 JA85 MoBr 12.993 11.666 10.570 9.651 8.871 MoBr -0.3962540E+02 0.2131058E+05-0.6591083E-03-0.3228465E+05 0.1105226E+02 MoBr2 5 2.000 1 2.000 7 1.00017-4.000 2 MoBr2 18.505 14.250 10.909 8.906 7.616 6.743 6.134 5.698 JA85 MoBr2 5.381 5.150 4.979 4.855 4.764 MoBr2 -0.3732813E+02 0.7922579E+04-0.6085902E-03 0.6218063E+04 0.1187026E+02 MoBr3 5 1.500 1 3.000 7 1.00017-4.000 2 MoBr3 -1.754 -1.115 -0.364 0.284 0.847 1.343 1.783 2.177 JA85 MoBr3 2.533 2.856 3.150 3.420 3.669 MoBr3 -0.3225580E+02 0.6844459E+03-0.6957917E-03-0.7505138E+04 0.1151697E+02 MoBr4 5 1.000 1-4.000 2 4.000 7 1.00017 MoBr4 -19.211 -14.118 -9.616 -6.523 -4.239 -2.466 -1.041 0.136 JA85 MoBr4 1.130 1.982 2.724 3.377 3.957 MoBr4 -0.2634354E+02-0.6076538E+04-0.5966170E-03 0.1084829E+05 0.1114160E+02 MoCl4 5 1.000 1-4.000 2 4.000 5 1.00017 MoCl4 -17.531 -12.803 -8.662 -5.840 -3.772 -2.178 -0.904 0.143 JA85 MoCl4 1.023 1.774 2.425 2.995 3.500 MoCl4 -0.2010519E+02-0.5772513E+04-0.5329193E-03-0.1406604E+04 0.8935377E+01 MoCl5 5 0.500 1 5.000 5 1.00017-4.000 2 MoCl5 -7.354 -3.662 -0.383 1.880 3.555 4.856 5.905 6.772 JA85 MoCl5 7.503 8.132 8.678 9.159 9.587 MoCl5 -0.1347532E+02-0.4447074E+04-0.4897839E-03 0.2295871E+05 0.8456341E+01 MoCl6 4 6.000 5 1.00017-4.000 2 MoCl6 15.490 15.629 15.905 16.198 16.479 16.741 16.981 17.202 JA85 MoCl6 17.405 17.592 17.765 17.925 18.074 MoCl6 -0.4790251E+01 0.6248501E+03-0.4025421E-03 0.2898608E+05 0.7265700E+01 MoF 5 2.500 1 1.000 6 1.00017-4.000 2 MoF 69.476 54.042 41.204 32.949 27.219 23.025 19.832 17.326 JA85 MoF 15.312 13.660 12.284 11.121 10.127 MoF -0.3252966E+02 0.2433359E+05-0.5418847E-03-0.4462697E+05 0.8508594E+01 MoF2 5 2.000 1 2.000 6 1.00017-4.000 2 MoF2 43.622 34.242 26.462 21.477 18.032 15.520 13.615 12.126 JA85 MoF2 10.934 9.961 9.153 8.473 7.893 MoF2 -0.2355250E+02 0.1511063E+05-0.4630006E-03-0.4130596E+05 0.6909014E+01 MoF3 5 1.500 1 3.000 6 1.00017-4.000 2 MoF3 18.066 14.685 11.894 10.120 8.904 8.025 7.364 6.852 JA85 MoF3 6.445 6.115 5.843 5.615 5.421 MoF3 -0.1190944E+02 0.5851198E+04-0.4189799E-03-0.4041192E+05 0.4417156E+01 MoF4 5 1.000 1-4.000 2 4.000 6 1.00017 MoF4 10.222 9.176 8.279 7.689 7.271 6.960 6.720 6.528 JA85 MoF4 6.371 6.241 6.130 6.034 5.950 MoF4 0.2127463E+01 0.1913890E+04-0.1923113E-03-0.4220207E+05 0.8920832E+00 MoF5 5 0.500 1 5.000 6 1.00017-4.000 2 MoF5 11.332 10.994 10.661 10.411 10.212 10.049 9.911 9.791 JA85 MoF5 9.686 9.591 9.506 9.428 9.357 MoF5 0.1388015E+02 0.4035763E+03-0.8093317E-04-0.2056081E+05-0.1473590E+01 MoF6 4 6.000 6 1.00017-4.000 2 MoF6 9.309 10.453 11.304 11.780 12.063 12.235 12.340 12.401 JA85 MoF6 12.433 12.445 12.443 12.431 12.412 MoF6 0.2727354E+02-0.2124764E+04 0.3313308E-04-0.3022770E+05-0.4246576E+01 MoO 4 2.000 1-3.000 2 1.00017 MoO 66.497 51.201 38.514 30.382 24.756 20.650 17.535 15.098 JA85 MoO 13.146 11.550 10.226 9.110 8.160 MoO -0.3875035E+02 0.2427208E+05-0.5397124E-03-0.3590176E+05 0.9862115E+01 MoO2 4 1.000 1-2.000 2 1.00017 MoO2 54.121 41.536 31.091 24.389 19.749 16.360 13.785 11.770 JA85 MoO2 10.154 8.833 7.735 6.810 6.022 MoO2 -0.3038381E+02 0.1983794E+05-0.3533458E-03-0.2287266E+05 0.7408020E+01 MoO2Cl2 4 -2.000 2 2.000 5 1.00017 MoO2Cl2 -13.460 -10.553 -7.999 -6.255 -4.974 -3.983 -3.190 -2.536 JA85 MoO2Cl2 -1.986 -1.515 -1.106 -0.746 -0.426 MoO2Cl2 -0.1501469E+02-0.3577825E+04-0.2445281E-03 0.5123638E+04 0.5484091E+01 MoO3 3 -1.000 2 1.00017 MoO3 39.922 30.715 23.076 18.175 14.782 12.304 10.422 8.948 JA85 MoO3 7.767 6.801 5.999 5.324 4.749 MoO3 -0.2092222E+02 0.1441766E+05-0.1874283E-03-0.7178968E+04 0.5101704E+01 N 2 0.50037 N 79.807 63.164 49.182 40.079 33.680 28.936 25.278 22.372 JA85 N 20.007 18.045 16.392 14.979 13.757 N -0.2461109E+01 0.2463270E+05 0.2079409E-04 0.5495460E+04-0.1691024E+00 NBr 4 -0.500 1 1.000 7 0.50037 NBr 58.745 46.884 36.940 30.478 25.944 22.587 20.003 17.953 JA85 NBr 16.287 14.906 13.745 12.753 11.898 NBr -0.9056138E+00 0.1751535E+05 0.3501856E-04 0.2021172E+05 0.2691697E+00 CN 5 2.000 1-2.000 2 1.000 3 0.50037 CN 59.959 47.836 37.709 31.161 26.590 23.223 20.645 18.609 JA85 CN 16.963 15.605 14.466 13.499 12.666 CN -0.1138196E+02 0.1858206E+05-0.2911386E-03-0.1489184E+05 0.3746601E+01 CBrN 6 1.500 1-2.000 2 1.000 3 1.000 7 0.50037 CBrN 27.306 22.668 18.829 16.370 14.668 13.426 12.481 11.741 JA85 CBrN 11.147 10.659 10.254 9.910 9.617 CBrN -0.4293991E+01 0.7246768E+04-0.2509150E-03 0.5299700E+04 0.2953951E+01 ClCN 6 1.500 1-2.000 2 1.000 3 1.000 5 0.50037 ClCN 28.654 23.739 19.649 17.014 15.181 13.835 12.806 11.995 JA85 ClCN 11.341 10.802 10.350 9.967 9.637 ClCN -0.2193591E+01 0.7579358E+04-0.2261634E-03 0.1100091E+04 0.2215200E+01 HCN 5 2.500 1-2.000 2 1.000 3 0.50037 HCN 10.858 9.282 7.982 7.155 6.586 6.173 5.861 5.618 JA85 HCN 5.424 5.265 5.132 5.020 4.924 HCN -0.2817512E+01 0.2672717E+04-0.2563113E-03-0.1254420E+05 0.1991835E+01 CNC 5 4.000 1-4.000 2 2.000 3 0.50037 CNC 69.046 55.838 44.826 37.721 32.771 29.133 26.351 24.158 JA85 CNC 22.387 20.928 19.707 18.670 17.779 CNC -0.1198938E+02 0.2038178E+05-0.4426670E-03-0.1344820E+05 0.5236688E+01 CF3CN 6 2.500 1-4.000 2 2.000 3 3.000 6 0.50037 CF3CN 41.870 36.720 32.256 29.253 27.077 25.416 24.099 23.025 JA85 CF3CN 22.128 21.366 20.707 20.130 19.621 CF3CN 0.3167589E+02 0.7071951E+04-0.1070065E-05-0.3322167E+05-0.5314844E+01 NF 4 -0.500 1 1.000 6 0.50037 NF 90.918 72.503 56.978 46.833 39.676 34.352 30.234 26.952 JA85 NF 24.273 22.045 20.161 18.548 17.150 NF 0.7184514E+01 0.2695338E+05 0.1714225E-03-0.1454371E+04-0.2709019E+01 NF2 4 -1.000 1 2.000 6 0.50037 NF2 106.442 85.655 68.083 56.565 48.416 42.337 37.622 33.854 JA85 NF2 30.772 28.201 26.023 24.153 22.529 NF2 0.1871216E+02 0.3011582E+05 0.2896547E-03-0.4310239E+04-0.5381819E+01 NF3 4 -1.500 1 3.000 6 0.50037 NF3 128.877 104.576 83.991 70.464 60.869 53.695 48.117 43.650 JA85 NF3 39.987 36.925 34.326 32.090 30.145 NF3 0.3407637E+02 0.3477403E+05 0.4618067E-03 0.6249533E+04-0.8907103E+01 NH 3 0.500 1 0.50037 NH 64.921 51.667 40.542 33.307 28.227 24.465 21.566 19.266 JA85 NH 17.395 15.845 14.539 13.424 12.461 NH -0.2538323E+01 0.1971896E+05-0.4228057E-04 0.2323344E+04 0.5286548E+00 HNCO 5 1.500 1-1.000 2 1.000 3 0.50037 HNCO 12.866 11.102 9.616 8.646 7.961 7.452 7.058 6.743 JA85 HNCO 6.485 6.270 6.088 5.931 5.794 HNCO 0.3926717E+01 0.2633541E+04-0.8769388E-04-0.2814180E+04 0.6633778E-01 NH2 3 1.000 1 0.50037 NH2 35.013 28.291 22.609 18.886 16.254 14.293 12.772 11.558 JA85 NH2 10.565 9.737 9.035 8.433 7.910 NH2 0.4482813E+01 0.9920822E+04-0.2499399E-04-0.1676908E+05-0.1029861E+01 NH3 3 1.500 1 0.50037 NH3 -2.866 -1.301 -0.087 0.634 1.095 1.403 1.616 1.766 JA85 NH3 1.872 1.947 2.000 2.035 2.058 NH3 0.1495655E+02-0.2610026E+04-0.2016117E-04-0.3631583E+05-0.3497331E+01 NO 4 -1.000 1 1.000 2 0.50037 NO 55.212 43.504 33.640 27.198 22.658 19.282 16.674 14.597 JA85 NO 12.903 11.495 10.307 9.289 8.409 NO 0.1343077E+01 0.1716832E+05 0.1450955E-03-0.6151362E+03-0.1515604E+01 NOBr 5 -1.500 1 1.000 2 1.000 7 0.50037 NOBr 63.854 51.160 40.483 33.521 28.619 24.979 22.168 19.932 JA85 NOBr 18.110 16.597 15.321 14.229 13.285 NOBr 0.5173004E+01 0.1851962E+05 0.1863827E-03 0.1905608E+05-0.1496936E+01 ONCl 5 -1.500 1 1.000 2 1.000 5 0.50037 ONCl 68.315 54.717 43.266 35.788 30.516 26.596 23.565 21.151 JA85 ONCl 19.182 17.544 16.161 14.976 13.951 ONCl 0.7131962E+01 0.1977415E+05 0.1984592E-03 0.1718531E+05-0.2179229E+01 ONF 5 -1.500 1 1.000 2 1.000 6 0.50037 ONF 79.481 63.621 50.224 41.448 35.243 30.617 27.032 24.168 JA85 ONF 21.827 19.876 18.225 16.808 15.578 ONF 0.1241814E+02 0.2294374E+05 0.2901834E-03 0.4800898E+04-0.4054010E+01 HNO 4 -0.500 1 1.000 2 0.50037 HNO 59.732 47.671 37.456 30.748 25.995 22.445 19.687 17.481 JA85 HNO 15.675 14.167 12.888 11.789 10.834 HNO 0.1043296E+02 0.1746489E+05 0.2064508E-03-0.1437028E+05-0.3709273E+01 NO2 4 -2.000 1 2.000 2 0.50037 NO2 89.050 70.818 55.417 45.330 38.198 32.883 28.764 25.475 RH95 NO2 22.787 20.547 18.652 17.026 15.616 NO2 0.1157252E+02 0.2641832E+05 0.3488867E-03 0.1413514E+04-0.4546460E+01 NO2Cl 5 -2.500 1 2.000 2 1.000 5 0.50037 NO2Cl 106.230 85.479 67.951 56.466 48.342 42.283 37.584 33.830 JA85 NO2Cl 30.760 28.200 26.031 24.171 22.556 NO2Cl 0.2095292E+02 0.2979204E+05 0.4592968E-03 0.2645828E+05-0.6094537E+01 HNO2-CIS 4 -1.500 1 2.000 2 0.50037 HNO2-CIS 72.743 58.369 46.193 38.192 32.518 28.274 24.974 22.332 JA85 HNO2-CIS 20.166 18.356 16.819 15.498 14.349 HNO2-CIS 0.1774853E+02 0.2047911E+05 0.3598757E-03 0.1161297E+05-0.5629832E+01 HNO2-TRA 4 -1.500 1 2.000 2 0.50037 HNO2-TRA 72.384 58.090 45.993 38.052 32.424 28.218 24.951 22.336 JA85 HNO2-TRA 20.194 18.405 16.888 15.584 14.450 HNO2-TRA 0.1673827E+02 0.2038036E+05 0.3581629E-03 0.1716335E+05-0.5257822E+01 NO3 4 -3.000 1 3.000 2 0.50037 NO3 140.464 112.364 88.640 73.105 62.123 53.936 47.591 42.524 JA85 NO3 38.381 34.929 32.007 29.500 27.325 NO3 0.2307546E+02 0.4043324E+05 0.5861717E-03 0.3596551E+05-0.7599531E+01 NS 4 -1.000 1 1.000 4 0.50037 NS 47.061 37.065 28.665 23.195 19.349 16.499 14.302 12.557 JA85 NS 11.139 9.963 8.974 8.130 7.402 NS -0.5398886E+00 0.1468993E+05 0.2144893E-03 0.9079267E+04-0.7417650E+00 CNN 5 2.000 1-2.000 2 1.000 3 1.00037 CNN 89.612 72.223 57.652 48.196 41.570 36.671 32.905 29.921 JA85 CNN 27.498 25.493 23.806 22.368 21.127 CNN -0.4121650E+01 0.2615920E+05-0.2383453E-03-0.5375869E+04 0.2476069E+01 NCN 5 2.000 1-2.000 2 1.000 3 1.00037 NCN 70.329 56.848 45.511 38.124 32.927 29.072 26.097 23.732 JA85 NCN 21.805 20.206 18.856 17.701 16.702 NCN 0.2960311E+01 0.2007097E+05-0.1049662E-03-0.1199682E+05 0.8752808E-01 C4N2 5 8.000 1-8.000 2 4.000 3 1.00037 C4N2 45.538 39.504 34.563 31.445 29.321 27.794 26.652 25.770 JA85 C4N2 25.072 24.507 24.042 23.653 23.323 C4N2 -0.1129047E+02 0.1042530E+05-0.9676054E-03-0.4311028E+05 0.9147641E+01 N2F4 4 -2.000 1 4.000 6 1.00037 N2F4 206.990 168.655 136.165 114.801 99.638 88.292 79.465 72.391 JA85 N2F4 66.586 61.732 57.608 54.058 50.967 N2F4 0.6030574E+02 0.5468690E+05 0.7197066E-03 0.1500711E+05-0.1500137E+02 N2H4 3 2.000 1 1.00037 N2H4 27.898 24.443 21.341 19.177 17.557 16.284 15.249 14.384 JA85 N2H4 13.646 13.005 12.443 11.942 11.493 N2H4 0.3642368E+02 0.4022973E+04 0.1650148E-03-0.2516090E+05-0.8803993E+01 N2O 4 -1.000 1 1.000 2 1.00037 N2O 58.292 46.855 37.176 30.823 26.321 22.957 20.345 18.254 JA85 N2O 16.541 15.111 13.898 12.856 11.949 N2O 0.1306921E+02 0.1636508E+05 0.2486738E-03 0.8897006E+04-0.3976729E+01 N2O3 4 -3.000 1 3.000 2 1.00037 N2O3 144.600 116.075 91.975 76.182 65.011 56.679 50.219 45.058 JA85 N2O3 40.836 37.317 34.336 31.779 29.559 N2O3 0.2632135E+02 0.4108698E+05 0.5903482E-03 0.2107237E+05-0.8058772E+01 N2O4 4 -4.000 1 4.000 2 1.00037 N2O4 177.293 142.813 113.630 94.469 80.889 70.741 62.858 56.549 JA85 N2O4 51.380 47.063 43.401 40.254 37.519 N2O4 0.4229845E+02 0.4925811E+05 0.8179612E-03 0.3003835E+05-0.1244718E+02 N2O5 4 -5.000 1 5.000 2 1.00037 N2O5 220.876 177.837 141.519 117.746 100.944 88.423 78.719 70.972 JA85 N2O5 64.639 59.362 54.896 51.066 47.743 N2O5 0.4143415E+02 0.6177573E+05 0.9404123E-03 0.7993357E+05-0.1169341E+02 N3 2 1.50037 N3 75.751 61.127 48.760 40.650 34.908 30.623 27.297 24.638 JA85 N3 22.461 20.644 19.104 17.781 16.631 N3 0.1493983E+02 0.2112633E+05 0.1927541E-03-0.2822164E+03-0.4082220E+01 Na 4 0.500 1-1.000 5 1.000 8 Na 32.037 25.112 19.279 15.471 12.789 10.797 9.257 8.032 JA85 Na 7.034 6.203 5.502 4.902 4.383 Na -0.1412450E+01 0.1027789E+05-0.8870965E-05-0.9868197E+04-0.3673994E+00 NaAlF4 5 -1.000 5 1.000 6 1.000 8 1.00013 NaAlF4 -39.411 -29.957 -22.071 -16.980 -13.431 -10.823 -8.829 -7.259 JA85 NaAlF4 -5.991 -4.949 -4.077 -3.339 -2.706 NaAlF4 0.1628180E+02-0.1446345E+05 0.7620326E-04 0.4093146E+04-0.2930307E+01 NaBr 4 -1.000 5 1.000 7 1.000 8 NaBr -3.200 -2.546 -1.983 -1.606 -1.335 -1.129 -0.968 -0.837 JA85 NaBr -0.728 -0.636 -0.557 -0.489 -0.429 NaBr -0.1529432E+01-0.9186655E+03-0.1902173E-04 0.4396816E+04 0.5524047E+00 (NaBr)2 4 -2.000 5 2.000 7 2.000 8 (NaBr)2 -34.202 -25.913 -18.939 -14.393 -11.195 -8.821 -6.990 -5.534 JA85 (NaBr)2 -4.349 -3.365 -2.535 -1.826 -1.213 (NaBr)2 0.6286757E+01-0.1229661E+05-0.2832508E-04 0.6260893E+04 0.2797597E+00 (NaCl)2 2 2.000 8 (NaCl)2 -28.602 -21.453 -15.463 -11.576 -8.853 -6.842 -5.296 -4.072 JA85 (NaCl)2 -3.079 -2.258 -1.569 -0.981 -0.475 (NaCl)2 0.9878225E+01-0.1076594E+05 0.4226163E-04 0.3961996E+04-0.9813439E+00 NaF 4 -1.000 5 1.000 6 1.000 8 NaF 12.558 10.005 7.822 6.373 5.338 4.558 3.947 3.455 JA85 NaF 3.049 2.707 2.416 2.163 1.943 NaF 0.4196644E+01 0.3643772E+04 0.4841916E-04-0.1162230E+05-0.1512918E+01 (NaF)2 4 -2.000 5 2.000 6 2.000 8 (NaF)2 -13.677 -9.440 -5.968 -3.774 -2.276 -1.197 -0.390 0.233 JA85 (NaF)2 0.725 1.121 1.445 1.713 1.938 (NaF)2 0.1977925E+02-0.6838742E+04 0.1577280E-03-0.6991749E+04-0.4238322E+01 NaH 4 1.000 1-1.000 5 1.000 8 NaH 36.609 29.063 22.661 18.449 15.461 13.225 11.486 10.094 JA85 NaH 8.951 7.996 7.185 6.487 5.879 NaH 0.6062056E+01 0.1096323E+05 0.7414431E-04-0.1887693E+05-0.2438412E+01 NaO 5 -0.500 1 1.000 2-1.000 5 1.000 8 NaO 69.355 54.755 42.486 34.496 28.877 24.711 21.499 18.946 JA85 NaO 16.868 15.145 13.692 12.450 11.378 NaO -0.2142677E+01 0.2158090E+05 0.6206868E-04 0.4558282E+04-0.3858833E+00 NaOH 4 1.000 2-1.000 5 1.000 8 NaOH 23.499 18.813 14.880 12.320 10.520 9.185 8.156 7.337 JA85 NaOH 6.671 6.118 5.651 5.252 4.907 NaOH 0.8868857E+00 0.6856859E+04 0.9591880E-05 0.1080909E+05-0.2062744E+00 (NaOH)2 4 2.000 2-2.000 5 2.000 8 (NaOH)2 17.664 15.666 13.817 12.489 11.472 10.658 9.985 9.416 JA85 (NaOH)2 8.925 8.495 8.115 7.774 7.467 (NaOH)2 0.3086572E+02 0.1963487E+04 0.3118158E-03-0.1890459E+05-0.7948321E+01 Na2 4 1.000 1-2.000 5 2.000 8 Na2 55.393 44.046 34.382 28.002 23.462 20.058 17.406 15.279 JA85 Na2 13.531 12.069 10.827 9.757 8.826 Na2 0.1323091E+02 0.1644241E+05 0.3254185E-03-0.5061548E+05-0.5057184E+01 Na2SO4 6 -4.000 1 1.000 4-2.000 5 2.000 8 4.000 2 Na2SO4 32.401 27.675 23.543 20.726 18.656 17.056 15.775 14.720 JA85 Na2SO4 13.832 13.074 12.416 11.840 11.330 Na2SO4 0.4136171E+02 0.5163896E+04 0.8499027E-03 0.5847222E+05-0.1098904E+02 Ni 4 1.000 1-2.000 5 1.00027 Ni 49.116 37.860 28.390 22.220 17.882 14.665 12.184 10.214 JA85 Ni 8.611 7.281 6.160 5.203 4.376 Ni -0.7638487E+01 0.1685665E+05-0.1233746E-04-0.2203348E+05 0.1893893E+00 Ni(CO)4 6 5.000 1-4.000 2 4.000 3-2.000 5 1.00027 Ni(CO)4 -4.999 -1.224 2.076 4.323 5.968 7.235 8.246 9.076 JA85 Ni(CO)4 9.770 10.362 10.873 11.318 11.711 Ni(CO)4 -0.1002032E+02-0.4359102E+04-0.7286890E-03-0.2412370E+05 0.8135383E+01 NiCl 4 0.500 1-1.000 5 1.00027 NiCl 24.529 18.773 13.949 10.820 8.629 7.012 5.770 4.787 JA85 NiCl 3.990 3.332 2.780 2.309 1.904 NiCl -0.7448503E+01 0.8764611E+04-0.6494336E-04-0.1213596E+05 0.1106023E+01 NiS 4 1.000 4-2.000 5 1.00027 NiS 40.197 30.785 22.863 17.698 14.065 11.370 9.292 7.642 JA85 NiS 6.301 5.189 4.253 3.455 2.767 NiS -0.4612483E+01 0.1393149E+05 0.2308861E-03-0.8956892E+04-0.7618032E+00 O 3 -1.000 1 1.000 2 O 80.639 63.352 48.832 39.378 32.734 27.809 24.012 20.995 JA85 O 18.542 16.507 14.792 13.327 12.062 O -0.4194221E+01 0.2553179E+05 0.9394030E-04 0.1092185E+05-0.3846471E+00 O3 3 -3.000 1 3.000 2 O3 148.709 118.120 92.369 75.562 63.719 54.919 48.119 42.705 JA85 O3 38.292 34.624 31.527 28.878 26.585 O3 0.8725038E+01 0.4464584E+05 0.4252886E-03 0.2977685E+05-0.4130537E+01 Pb 4 1.000 1-2.000 5 1.00016 Pb 27.057 20.564 15.127 11.603 9.135 7.313 5.913 4.805 JA85 Pb 3.905 3.161 2.535 2.000 1.539 Pb -0.1009897E+02 0.9917079E+04-0.2236302E-03-0.1179308E+05 0.1654216E+01 PbBr 5 0.500 1-2.000 5 1.000 7 1.00016 PbBr 13.563 10.161 7.318 5.479 4.194 3.249 2.524 1.951 JA85 PbBr 1.488 1.105 0.785 0.512 0.277 PbBr -0.6620844E+01 0.5233600E+04-0.1030752E-03-0.6453126E+04 0.1104730E+01 PbBr2 4 -2.000 5 2.000 7 1.00016 PbBr2 -7.297 -5.802 -4.519 -3.665 -3.052 -2.589 -2.224 -1.930 JA85 PbBr2 -1.686 -1.481 -1.305 -1.153 -1.019 PbBr2 -0.3434481E+01-0.2068023E+04-0.6089351E-04 0.3575813E+04 0.1233235E+01 PbBr4 $5 -1.000 1-2.000 5 4.000 7 1.00016 PbBr4 -46.795 -35.461 -25.894 -19.638 -15.224 -11.941 -9.402 -7.379 JA85 PbBr4 -5.729 -4.356 -3.197 -2.203 -1.343 PbBr4 0.6537360E+01-0.1684262E+05-0.4926283E-04 0.3134799E+05 0.1139698E+01 PbCl 4 0.500 1-1.000 5 1.00016 PbCl 13.619 10.210 7.348 5.487 4.181 3.215 2.471 1.881 JA85 PbCl 1.401 1.003 0.669 0.383 0.135 PbCl -0.5040916E+01 0.5188442E+04-0.8666164E-04-0.9924055E+04 0.5638652E+00 PbCl4 $4 -1.000 1 2.000 5 1.00016 PbCl4 -20.757 -14.711 -9.641 -6.351 -4.047 -2.347 -1.043 -0.011 JA85 PbCl4 0.825 1.515 2.094 2.587 3.011 PbCl4 0.1367317E+02-0.9317142E+04 0.8327227E-04 0.2556806E+05-0.1411514E+01 PbF 5 0.500 1-2.000 5 1.000 6 1.00016 PbF 28.447 22.002 16.552 12.981 10.455 8.571 7.112 5.946 JA85 PbF 4.992 4.196 3.523 2.944 2.441 PbF -0.5307720E+00 0.9499433E+04-0.9355214E-05-0.1619378E+05-0.1090569E+01 PbF2 4 -2.000 5 2.000 6 1.00016 PbF2 17.588 13.997 10.903 8.836 7.347 6.218 5.329 4.608 JA85 PbF2 4.010 3.505 3.072 2.695 2.364 PbF2 0.8899333E+01 0.4991381E+04 0.1186697E-03-0.1846098E+05-0.3184640E+01 PbF4 $5 -1.000 1-2.000 5 4.000 6 1.00016 PbF4 0.203 1.911 3.183 3.890 4.306 4.555 4.702 4.785 JA85 PbF4 4.826 4.837 4.829 4.806 4.774 PbF4 0.3191812E+02-0.3587375E+04 0.3261040E-03-0.9846840E+04-0.7949094E+01 PbH 4 1.500 1-2.000 5 1.00016 PbH 35.280 27.298 20.521 16.061 12.896 10.529 8.688 7.214 JA85 PbH 6.004 4.993 4.133 3.394 2.750 PbH 0.1470657E+01 0.1175892E+05-0.1116730E-04-0.3716769E+05-0.2105072E+01 PbO 4 1.000 2-2.000 5 1.00016 PbO 47.194 36.567 27.619 21.782 17.670 14.617 12.259 10.383 JA85 PbO 8.853 7.583 6.511 5.594 4.800 PbO -0.3585212E+01 0.1570206E+05 0.4611592E-04-0.6496125E+04-0.7381062E+00 PbS 4 1.000 4-2.000 5 1.00016 PbS 19.455 14.478 10.311 7.610 5.720 4.326 3.256 2.411 JA85 PbS 1.727 1.163 0.691 0.290 -0.054 PbS -0.6708370E+01 0.7447991E+04 0.1037312E-03 0.2082905E+04 0.4560077E+00 Pb2 4 2.000 1-4.000 5 2.00016 Pb2 47.619 36.629 27.362 21.310 17.044 13.875 11.425 9.475 JA85 Pb2 7.884 6.561 5.443 4.485 3.654 Pb2 -0.7448388E+01 0.1653126E+05-0.1755313E-03-0.3998523E+05 0.4985758E-01 Rb 4 0.500 1-1.000 5 1.00033 Rb 35.906 28.240 21.786 17.576 14.611 12.409 10.709 9.356 JA85 Rb 8.253 7.337 6.563 5.901 5.328 Rb -0.1326946E+01 0.1136921E+05-0.1691770E-04-0.7712173E+04-0.3264503E+00 Rb2 4 1.000 1-2.000 5 2.00033 Rb2 66.923 53.317 41.887 34.449 29.224 25.354 22.374 20.009 JA85 Rb2 18.088 16.497 15.159 14.018 13.034 Rb2 -0.2897461E+00 0.2018543E+05 0.2055598E-03-0.1724593E+04-0.2147519E+00 S 3 -1.000 1 1.000 4 S 47.237 36.792 28.061 22.407 18.453 15.537 13.300 11.532 JA85 S 10.101 8.920 7.930 7.089 6.366 S -0.8367484E+01 0.1556873E+05 0.9499902E-04 0.1970280E+05 0.1267647E+01 SCl 4 -1.500 1 1.000 4 1.000 5 SCl 45.014 35.568 27.684 22.588 19.028 16.407 14.398 12.813 JA85 SCl 11.532 10.476 9.593 8.844 8.201 SCl -0.5260686E+01 0.1400704E+05 0.1645683E-03 0.3189879E+05 0.1166726E+01 SCl2 4 -2.000 1 1.000 4 2.000 5 SCl2 34.731 28.159 22.680 19.139 16.666 14.844 13.448 12.347 JA85 SCl2 11.456 10.723 10.110 9.590 9.144 SCl2 0.1600685E+01 0.9554568E+04 0.2301668E-03 0.4170433E+05 0.2207896E+00 SF 4 -1.500 1 1.000 4 1.000 6 SF 51.528 40.736 31.672 25.772 21.626 18.554 16.186 14.306 JA85 SF 12.778 11.512 10.446 9.537 8.753 SF -0.1146913E+00 0.1584282E+05 0.2131098E-03 0.1477712E+05-0.6967765E+00 SF2 4 -2.000 1 1.000 4 2.000 6 SF2 49.137 39.595 31.522 26.223 22.469 19.666 17.490 15.749 JA85 SF2 14.325 13.137 12.131 11.268 10.519 SF2 0.1302414E+02 0.1353762E+05 0.3995475E-03 0.1669087E+05-0.3879437E+01 SF3 4 -2.500 1 1.000 4 3.000 6 SF3 65.037 53.122 43.017 36.365 31.639 28.099 25.343 23.133 JA85 SF3 21.319 19.802 18.514 17.405 16.440 SF3 0.2369957E+02 0.1670086E+05 0.4900198E-03 0.2423492E+05-0.6100905E+01 SF4 4 -3.000 1 1.000 4 4.000 6 SF4 72.306 59.895 49.311 42.299 37.287 33.511 30.554 28.171 JA85 SF4 26.205 24.553 23.143 21.924 20.859 SF4 0.3870746E+02 0.1691239E+05 0.6554694E-03 0.3110829E+05-0.9566357E+01 SF5 4 -3.500 1 1.000 4 5.000 6 SF5 100.131 83.195 68.765 59.216 52.396 47.261 43.243 40.006 JA85 SF5 37.336 35.092 33.177 31.523 30.077 SF5 0.5156741E+02 0.2319752E+05 0.7321320E-03 0.4276128E+05-0.1209996E+02 SF6 4 -4.000 1 1.000 4 6.000 6 SF6 99.702 84.080 70.656 61.688 55.225 50.320 46.452 43.313 JA85 SF6 40.706 38.501 36.608 34.963 33.518 SF6 0.7229493E+02 0.2056412E+05 0.9605567E-03 0.4050595E+05-0.1709782E+02 SO 4 -2.000 1 1.000 2 1.000 4 SO 42.160 32.765 24.888 19.769 16.177 13.519 11.474 9.853 JA85 SO 8.537 7.448 6.534 5.755 5.084 SO -0.3365093E+01 0.1377043E+05 0.2380132E-03 0.2234224E+05-0.3974587E+00 SOF2 5 -3.000 1 1.000 2 1.000 4 2.000 6 SOF2 50.095 40.724 32.749 27.478 23.719 20.893 18.686 16.911 JA85 SOF2 15.450 14.225 13.182 12.283 11.499 SOF2 0.2292999E+02 0.1284990E+05 0.5555996E-03 0.2570571E+05-0.6623186E+01 SO2 4 -3.000 1 2.000 2 1.000 4 SO2 33.309 26.000 19.822 15.769 12.900 10.758 9.096 7.769 RH95 SO2 6.684 5.781 5.017 4.363 3.797 SO2 0.7552068E+01 0.1019762E+05 0.5043127E-03 0.2965434E+05-0.3608909E+01 SO2ClF 6 -4.000 1 2.000 2 1.000 4 1.000 5 1.000 6 SO2ClF 61.031 49.959 40.546 34.330 29.899 26.570 23.971 21.881 JA85 SO2ClF 20.161 18.719 17.492 16.434 15.513 SO2ClF 0.2901956E+02 0.1510348E+05 0.6662374E-03 0.4392775E+05-0.7815393E+01 SO2Cl2 5 -4.000 1 2.000 2 1.000 4 2.000 5 SO2Cl2 64.907 53.134 43.187 36.660 32.037 28.583 25.901 23.755 JA85 SO2Cl2 21.998 20.532 19.290 18.224 17.299 SO2Cl2 0.2290479E+02 0.1638114E+05 0.5845099E-03 0.5699935E+05-0.5559217E+01 SO2F2 5 -4.000 1 2.000 2 1.000 4 2.000 6 SO2F2 57.655 47.295 38.422 32.515 28.275 25.067 22.547 20.508 JA85 SO2F2 18.822 17.401 16.185 15.132 14.211 SO2F2 0.3650001E+02 0.1377035E+05 0.7748851E-03 0.3104472E+05-0.1035036E+02 SO3 4 -4.000 1 3.000 2 1.000 4 SO3 60.928 48.564 38.089 31.200 26.309 22.650 19.804 17.525 RH95 SO3 15.656 14.095 12.772 11.635 10.648 SO3 0.1883269E+02 0.1722902E+05 0.6880377E-03 0.3874178E+05-0.6600347E+01 SSF2 4 -3.000 1 2.000 4 2.000 6 SSF2 36.426 29.869 24.324 20.681 18.096 16.163 14.660 13.458 JA85 SSF2 12.473 11.652 10.956 10.360 9.844 SSF2 0.1674378E+02 0.8863286E+04 0.5818950E-03 0.4945070E+05-0.4354613E+01 S2 3 -2.000 1 2.000 4 S2 25.409 19.486 14.573 11.416 9.225 7.621 6.401 5.443 HP11 S2 4.675 4.047 3.526 3.087 2.714 S2 -0.7713311E+01 0.8772990E+04 0.2397236E-03 0.3755891E+05 0.1294648E+01 S2Cl 4 -2.500 1 2.000 4 1.000 5 S2Cl 36.004 28.593 22.430 18.458 15.693 13.663 12.113 10.894 JA85 S2Cl 9.912 9.107 8.436 7.871 7.388 S2Cl -0.2955130E+01 0.1084808E+05 0.3337667E-03 0.4886487E+05 0.7780699E+00 S2F10 4 -7.000 1 2.000 410.000 6 S2F10 168.006 142.780 121.047 106.485 95.963 87.955 81.625 76.475 JA85 S2F10 72.189 68.558 65.435 62.716 60.323 S2F10 0.1341386E+03 0.3262366E+05 0.1756899E-02 0.8185159E+05-0.3111719E+02 S3 3 -3.000 1 3.000 4 S3 33.139 26.070 20.236 16.508 13.933 12.057 10.636 9.527 JA85 S3 8.641 7.921 7.325 6.828 6.407 S3 -0.8359848E+01 0.1045616E+05 0.3159365E-03 0.6505700E+05 0.2264231E+01 S4 3 -4.000 1 4.000 4 S4 39.223 31.302 24.774 20.606 17.730 15.635 14.050 12.813 JA85 S4 11.827 11.025 10.364 9.812 9.347 S4 -0.5681908E+01 0.1153125E+05 0.4912762E-03 0.9399924E+05 0.2030776E+01 S5 3 -5.000 1 5.000 4 S5 40.429 33.086 27.063 23.234 20.602 18.694 17.255 16.139 JA85 S5 15.253 14.537 13.951 13.466 13.060 S5 -0.2708432E+00 0.1046932E+05 0.7078845E-03 0.1219480E+06 0.1617616E+01 S6 3 -6.000 1 6.000 4 S6 44.229 36.445 30.070 26.024 23.246 21.235 19.721 18.548 JA85 S6 17.619 16.870 16.259 15.754 15.333 S6 0.1721936E+01 0.1099404E+05 0.8636880E-03 0.1439311E+06 0.1518023E+01 S7 3 -7.000 1 7.000 4 S7 50.967 42.066 34.773 30.142 26.961 24.655 22.919 21.572 JA85 S7 20.505 19.644 18.940 18.357 17.871 S7 0.2560972E+01 0.1256375E+05 0.9534404E-03 0.1637561E+06 0.1673347E+01 S8 3 -8.000 1 8.000 4 S8 54.939 45.781 38.253 33.455 30.146 27.739 25.921 24.506 JA85 S8 23.382 22.472 21.726 21.107 20.591 S8 0.1037419E+02 0.1265254E+05 0.1233961E-02 0.1752620E+06-0.8548164E-01 Si 4 2.000 1-4.000 6 1.00021 Si 153.578 119.477 91.064 72.741 59.982 50.609 43.447 37.807 JA85 Si 33.257 29.514 26.385 23.733 21.459 Si -0.5109397E+02 0.5220673E+05-0.5868353E-03 0.7629837E+04 0.1198613E+02 SiBr 5 1.500 1-4.000 6 1.000 7 1.00021 SiBr 125.169 97.364 74.276 59.443 49.153 41.621 35.886 31.386 JA85 SiBr 27.769 24.804 22.333 20.247 18.465 SiBr -0.5142637E+02 0.4293820E+05-0.5933193E-03 0.2322112E+05 0.1313255E+02 SiBr2 5 1.000 1-4.000 6 2.000 7 1.00021 SiBr2 85.110 66.152 50.502 40.513 33.627 28.618 24.829 21.874 JA85 SiBr2 19.514 17.592 16.000 14.665 13.532 SiBr2 -0.4624091E+02 0.2967642E+05-0.5297977E-03 0.3804984E+05 0.1274861E+02 SiBr3 5 0.500 1-4.000 6 3.000 7 1.00021 SiBr3 69.855 54.880 42.584 34.780 29.431 25.561 22.649 20.390 JA85 SiBr3 18.596 17.143 15.947 14.950 14.108 SiBr3 -0.4020060E+02 0.2357928E+05-0.4760721E-03 0.5967817E+05 0.1230218E+02 SiBr4 4 -4.000 6 4.000 7 1.00021 SiBr4 44.312 35.586 28.547 24.169 21.227 19.142 17.606 16.441 JA85 SiBr4 15.536 14.820 14.246 13.778 13.394 SiBr4 -0.3450223E+02 0.1424147E+05-0.5017336E-03 0.7006988E+05 0.1228942E+02 SiC 6 4.000 1-2.000 2 1.000 3-4.000 6 1.00021 SiC 187.771 147.494 114.172 92.845 78.099 67.340 59.174 52.784 JA85 SiC 47.662 43.474 39.995 37.064 34.565 SiC -0.8013621E+02 0.6242605E+05-0.1197955E-02 0.9378144E+05 0.2337155E+02 SiCH3Cl3 7 4.000 1-2.000 2 1.000 3 3.000 5-4.000 6 1.00021 SiCH3Cl3 49.870 41.530 34.615 30.181 27.109 24.863 23.155 21.814 JA85 SiCH3Cl3 20.735 19.850 19.112 18.486 17.950 SiCH3Cl3-0.7667163E+01 0.1314735E+05-0.5549668E-03-0.6362086E+04 0.5527638E+01 SiCH3F3 6 4.000 1-2.000 2 1.000 3-1.000 6 1.00021 SiCH3F3 21.562 18.800 16.405 14.796 13.633 12.748 12.049 11.478 JA85 SiCH3F3 11.003 10.598 10.248 9.941 9.669 SiCH3F3 0.1139830E+02 0.4194121E+04-0.2864946E-03-0.5267111E+05-0.1303564E+01 SiC2 6 6.000 1-4.000 2 2.000 3-4.000 6 1.00021 SiC2 157.515 123.982 96.120 78.215 65.789 56.692 49.765 44.327 JA85 SiC2 39.954 36.368 33.379 30.853 28.692 SiC2 -0.5895732E+02 0.5217095E+05-0.1001339E-02-0.1463628E+05 0.1695472E+02 Si(CH3)4 6 16.000 1-8.000 2 4.000 3-4.000 6 1.00021 Si(CH3)4 12.625 16.861 20.097 21.992 23.186 23.972 24.503 24.863 JA85 Si(CH3)4 25.106 25.264 25.359 25.408 25.421 Si(CH3)4 0.5059347E+02-0.5987134E+04-0.1117321E-02-0.2161717E+06-0.6111536E+01 SiCl 5 1.500 1 1.000 5-4.000 6 1.00021 SiCl 128.358 99.872 76.181 60.934 50.337 42.568 36.643 31.986 JA85 SiCl 28.237 25.158 22.590 20.417 18.558 SiCl -0.4756045E+02 0.4378969E+05-0.5121684E-03 0.1717706E+05 0.1172250E+02 ClSiF3 4 1.000 5-1.000 6 1.00021 ClSiF3 19.651 15.605 12.279 10.164 8.711 7.657 6.862 6.243 JA85 ClSiF3 5.751 5.350 5.020 4.744 4.509 ClSiF3 -0.8814703E+01 0.6276200E+04-0.1115796E-03 0.2216124E+05 0.2909425E+01 SiCl2 5 1.000 1 2.000 5-4.000 6 1.00021 SiCl2 84.323 65.511 49.953 40.002 33.128 28.118 24.319 21.352 JA85 SiCl2 18.976 17.037 15.429 14.077 12.927 SiCl2 -0.4202327E+02 0.2927446E+05-0.4476882E-03 0.3501178E+05 0.1127485E+02 SiCl3 5 0.500 1 3.000 5-4.000 6 1.00021 SiCl3 66.069 51.813 40.073 32.598 27.457 23.726 20.909 18.717 JA85 SiCl3 16.970 15.551 14.378 13.396 12.564 SiCl3 -0.3510329E+02 0.2234184E+05-0.4335460E-03 0.4443063E+05 0.1045362E+02 SiCl4 4 4.000 5-4.000 6 1.00021 SiCl4 40.205 32.285 25.857 21.831 19.104 17.156 15.709 14.602 JA85 SiCl4 13.733 13.040 12.477 12.015 11.630 SiCl4 -0.2569714E+02 0.1266656E+05-0.3546875E-03 0.6227987E+05 0.9223684E+01 SiF 4 1.500 1-3.000 6 1.00021 SiF 121.749 94.553 71.894 57.283 47.109 39.637 33.929 29.434 JA85 SiF 25.809 22.828 20.336 18.225 16.415 SiF -0.4187718E+02 0.4168002E+05-0.4467823E-03 0.1855582E+04 0.9676148E+01 FSiCl3 4 3.000 5-3.000 6 1.00021 FSiCl3 39.736 31.696 25.124 20.973 18.140 16.100 14.572 13.391 JA85 FSiCl3 12.458 11.706 11.090 10.578 10.148 FSiCl3 -0.2220399E+02 0.1271811E+05-0.3054988E-03 0.4574210E+05 0.7621834E+01 SiF2 4 1.000 1-2.000 6 1.00021 SiF2 74.216 57.367 43.353 34.335 28.068 23.475 19.973 17.220 JA85 SiF2 15.005 13.187 11.671 10.389 9.292 SiF2 -0.3019967E+02 0.2594646E+05-0.2855935E-03 0.5495274E+04 0.7037649E+01 SiF3 4 0.500 1-1.000 6 1.00021 SiF3 39.259 30.271 22.795 17.983 14.639 12.188 10.318 8.849 JA85 SiF3 7.666 6.695 5.885 5.200 4.613 SiF3 -0.1663628E+02 0.1385908E+05-0.1789000E-03 0.9795257E+03 0.3820665E+01 SiH 4 2.500 1-4.000 6 1.00021 SiH 142.573 111.024 84.697 67.693 55.834 47.111 40.437 35.174 JA85 SiH 30.923 27.422 24.491 22.004 19.870 SiH -0.4287342E+02 0.4821647E+05-0.4815718E-03-0.1131755E+05 0.9698584E+01 SiHBr3 5 1.000 1-4.000 6 3.000 7 1.00021 SiHBr3 55.729 44.278 34.859 28.870 24.755 21.772 19.521 17.771 JA85 SiHBr3 16.377 15.245 14.310 13.528 12.866 SiHBr3 -0.2650444E+02 0.1793890E+05-0.3994991E-03 0.4478082E+05 0.8762204E+01 SiHCl3 5 1.000 1 3.000 5-4.000 6 1.00021 SiHCl3 51.171 40.598 31.866 26.287 22.435 19.628 17.501 15.839 JA85 SiHCl3 14.509 13.423 12.522 11.765 11.120 SiHCl3 -0.1946757E+02 0.1632269E+05-0.2644940E-03 0.3956759E+05 0.6274447E+01 SiHF3 4 1.000 1-1.000 6 1.00021 SiHF3 22.708 17.739 13.546 10.804 8.869 7.429 6.315 5.426 JA85 SiHF3 4.701 4.097 3.586 3.148 2.768 SiHF3 -0.6353366E+00 0.7358339E+04-0.1851661E-04-0.1004497E+05-0.4922895E+00 SiH2Br2 5 2.000 1-4.000 6 2.000 7 1.00021 SiH2Br2 67.495 53.316 41.513 33.908 28.616 24.729 21.761 19.424 JA85 SiH2Br2 17.539 15.988 14.691 13.593 12.650 SiH2Br2 -0.1844220E+02 0.2168606E+05-0.3184282E-03 0.1324222E+05 0.5313455E+01 SiH2Cl2 5 2.000 1 2.000 5-4.000 6 1.00021 SiH2Cl2 64.259 50.709 39.397 32.086 26.982 23.223 20.343 18.070 JA85 SiH2Cl2 16.231 14.714 13.442 12.362 11.432 SiH2Cl2 -0.1367268E+02 0.2055722E+05-0.2338027E-03 0.6858031E+04 0.3627096E+01 SiH2F2 4 2.000 1-2.000 6 1.00021 SiH2F2 45.202 35.404 27.128 21.710 17.883 15.034 12.827 11.066 JA85 SiH2F2 9.627 8.429 7.414 6.544 5.788 SiH2F2 -0.3485250E+00 0.1452256E+05-0.4265586E-04-0.2647420E+05-0.1150923E+01 SiH3Br 5 3.000 1-4.000 6 1.000 7 1.00021 SiH3Br 79.689 62.793 48.611 39.389 32.917 28.126 24.437 21.510 JA85 SiH3Br 19.131 17.160 15.499 14.082 12.858 SiH3Br -0.9203467E+01 0.2539575E+05-0.1951237E-03-0.2000627E+05 0.1615682E+01 SiH3Cl 5 3.000 1 1.000 5-4.000 6 1.00021 SiH3Cl 78.330 61.696 47.713 38.607 32.206 27.460 23.802 20.895 JA85 SiH3Cl 18.530 16.567 14.912 13.498 12.275 SiH3Cl -0.6464490E+01 0.2489313E+05-0.1371301E-03-0.2320764E+05 0.6484079E+00 SiH3F 4 3.000 1-3.000 6 1.00021 SiH3F 68.878 54.104 41.620 33.447 27.673 23.373 20.043 17.386 JA85 SiH3F 15.214 13.405 11.874 10.560 9.420 SiH3F 0.9598915E-01 0.2193282E+05-0.6725787E-04-0.4521548E+05-0.1718494E+01 SiH4 4 4.000 1-4.000 6 1.00021 SiH4 92.491 72.859 56.274 45.417 37.749 32.040 27.620 24.094 JA85 SiH4 21.214 18.815 16.784 15.043 13.532 SiH4 0.3822511E+00 0.2919949E+05-0.9276215E-04-0.6387743E+05-0.2053276E+01 SiO 5 1.000 1 1.000 2-4.000 6 1.00021 SiO 100.270 77.019 57.686 45.248 36.608 30.276 25.450 21.659 JA85 SiO 18.608 16.105 14.019 12.255 10.746 SiO -0.4438430E+02 0.3582653E+05-0.3913941E-03 0.8656198E+04 0.9905629E+01 SiOF2 4 1.000 2-2.000 6 1.00021 SiOF2 52.511 40.452 30.403 23.921 19.405 16.087 13.550 11.552 JA85 SiOF2 9.940 8.615 7.506 6.567 5.762 SiOF2 -0.1795868E+02 0.1831522E+05-0.8454894E-04 0.1395749E+05 0.3600153E+01 SiO2 4 2.000 2-4.000 6 1.00021 SiO2 108.842 84.279 63.806 50.597 41.394 34.630 29.459 25.386 JA85 SiO2 22.098 19.394 17.133 15.216 13.573 SiO2 -0.3521948E+02 0.3737386E+05-0.2315578E-03 0.2005933E+05 0.7497613E+01 SiS 5 1.000 1 1.000 4-4.000 6 1.00021 SiS 97.867 75.175 56.364 44.302 35.950 29.849 25.214 21.585 JA85 SiS 18.675 16.296 14.318 12.653 11.234 SiS -0.4924003E+02 0.3515476E+05-0.3708958E-03 0.2644956E+05 0.1172404E+02 Si2 4 4.000 1-8.000 6 2.00021 Si2 258.383 201.021 153.152 122.232 100.667 84.803 72.665 63.093 JA85 Si2 55.361 48.994 43.664 39.142 35.260 Si2 -0.7730733E+02 0.8756173E+05-0.7723799E-03-0.1338386E+05 0.1713026E+02 Si2C 6 6.000 1-2.000 2 1.000 3-8.000 6 2.00021 Si2C 237.507 185.313 141.942 114.063 94.711 80.540 69.745 61.271 JA85 Si2C 54.455 48.865 44.205 40.267 36.900 Si2C -0.9500541E+02 0.8086889E+05-0.1301206E-02 0.2035577E+04 0.2491153E+02 Si3 4 6.000 1-12.00 6 3.00021 Si3 347.971 270.801 206.654 165.398 136.744 115.749 99.749 87.180 JA85 Si3 77.066 68.768 61.847 55.996 50.990 Si3 -0.1362164E+03 0.1190693E+06-0.1654300E-02 0.3053338E+05 0.3434184E+02 Sr 4 1.000 1-2.000 5 1.00030 Sr 74.517 58.568 45.148 36.399 30.242 25.673 22.146 19.342 JA85 Sr 17.057 15.161 13.560 12.191 11.006 Sr -0.4316617E+01 0.2373248E+05-0.6041072E-04-0.1856925E+05-0.2176735E+00 SrBr 5 0.500 1-2.000 5 1.000 7 1.00030 SrBr 38.345 30.041 23.071 18.541 15.361 13.008 11.196 9.759 JA85 SrBr 8.591 7.623 6.808 6.113 5.512 SrBr -0.5382731E+01 0.1247827E+05-0.9119686E-04-0.8787781E+04 0.8088689E+00 SrBr2 4 -2.000 5 2.000 7 1.00030 SrBr2 -7.131 -5.515 -4.142 -3.237 -2.594 -2.112 -1.738 -1.438 JA85 SrBr2 -1.192 -0.986 -0.811 -0.661 -0.531 SrBr2 -0.1090770E+01-0.2327275E+04-0.5681562E-04 0.4213807E+04 0.7011953E+00 SrCl 4 0.500 1-1.000 5 1.00030 SrCl 42.031 32.976 25.362 20.402 16.914 14.328 12.333 10.748 JA85 SrCl 9.458 8.387 7.484 6.712 6.044 SrCl -0.3873533E+01 0.1354252E+05-0.7244946E-04-0.1333000E+05 0.2643902E+00 SrF 5 0.500 1-2.000 5 1.000 6 1.00030 SrF 43.794 34.357 26.386 21.167 17.480 14.734 12.607 10.909 JA85 SrF 9.522 8.367 7.388 6.549 5.821 SrF 0.9301075E+00 0.1390181E+05 0.1752819E-04-0.1814965E+05-0.1440369E+01 SrF2 4 -2.000 5 2.000 6 1.00030 SrF2 12.024 9.553 7.406 5.957 4.905 4.101 3.464 2.944 JA85 SrF2 2.510 2.142 1.824 1.547 1.302 SrF2 0.8704531E+01 0.3322042E+04 0.1353198E-03-0.1514499E+05-0.3108893E+01 SrO 4 1.000 2-2.000 5 1.00030 SrO 85.420 67.260 52.087 42.268 35.403 30.341 26.456 23.383 JA85 SrO 20.894 18.837 17.110 15.640 14.373 SrO -0.1559180E+02 0.2729934E+05-0.2968231E-03 0.2448879E+05 0.3743254E+01 SrOH 5 0.500 1 1.000 2-2.000 5 1.00030 SrOH 54.315 42.873 33.255 26.988 22.579 19.308 16.783 14.775 JA85 SrOH 13.139 11.781 10.634 9.654 8.805 SrOH -0.1504740E+01 0.1688811E+05-0.2626124E-04 0.5118984E+04-0.3528124E+00 Sr(OH)2 4 2.000 2-2.000 5 1.00030 Sr(OH)2 31.695 25.488 20.276 16.879 14.486 12.708 11.333 10.238 JA85 Sr(OH)2 9.343 8.599 7.970 7.431 6.964 Sr(OH)2 0.4240656E+01 0.8855807E+04 0.5511998E-04 0.3370317E+05-0.1068423E+01 SrS 4 1.000 4-2.000 5 1.00030 SrS 68.120 53.531 41.463 33.738 28.393 24.491 21.526 19.204 JA85 SrS 17.339 15.813 14.542 13.469 12.553 SrS -0.2863349E+02 0.2252716E+05-0.5713966E-03 0.4463433E+05 0.8432333E+01 Ti 4 2.000 1-4.000 6 1.00024 Ti 147.628 114.919 87.651 70.055 57.795 48.784 41.894 36.465 JA85 Ti 32.082 28.475 25.456 22.897 20.700 Ti -0.4767641E+02 0.5006925E+05-0.6178238E-03-0.1207849E+04 0.1114157E+02 TiBr 5 1.500 1-4.000 6 1.000 7 1.00024 TiBr 111.062 86.245 65.567 52.232 42.944 36.120 30.905 26.797 JA85 TiBr 23.482 20.755 18.475 16.541 14.883 TiBr -0.3714345E+02 0.3791984E+05-0.4198937E-03 0.1233209E+05 0.8490084E+01 TiBr2 5 1.000 1-4.000 6 2.000 7 1.00024 TiBr2 53.272 40.996 30.923 24.538 20.166 17.008 14.635 12.797 JA85 TiBr2 11.339 10.160 9.190 8.382 7.701 TiBr2 -0.4024287E+02 0.1957077E+05-0.5284145E-03 0.3258746E+05 0.1118038E+02 TiBr3 5 0.500 1-4.000 6 3.000 7 1.00024 TiBr3 29.686 23.025 17.671 14.357 12.141 10.578 9.433 8.570 JA85 TiBr3 7.904 7.380 6.963 6.626 6.352 TiBr3 -0.3339900E+02 0.1100479E+05-0.4338632E-03 0.5448676E+05 0.1038264E+02 TiBr4 4 -4.000 6 4.000 7 1.00024 TiBr4 10.257 8.485 7.236 6.591 6.250 6.076 6.001 5.987 JA85 TiBr4 6.011 6.060 6.125 6.200 6.282 TiBr4 -0.2777813E+02 0.3711663E+04-0.4043674E-03 0.5583804E+05 0.1013507E+02 TiCl 5 1.500 1 1.000 5-4.000 6 1.00024 TiCl 110.621 85.877 65.248 51.934 42.654 35.832 30.615 26.502 JA85 TiCl 23.182 20.449 18.161 16.222 14.557 TiCl -0.3500905E+02 0.3770447E+05-0.3585292E-03 0.1293666E+05 0.7731047E+01 TiCl2 5 1.000 1 2.000 5-4.000 6 1.00024 TiCl2 63.011 48.835 37.139 29.678 24.537 20.799 17.973 15.769 JA85 TiCl2 14.009 12.576 11.389 10.394 9.549 TiCl2 -0.3630281E+02 0.2223092E+05-0.4715680E-03 0.2979036E+05 0.9924048E+01 TiCl3 5 0.500 1 3.000 5-4.000 6 1.00024 TiCl3 30.595 23.798 18.281 14.824 12.483 10.810 9.568 8.616 JA85 TiCl3 7.871 7.275 6.791 6.394 6.064 TiCl3 -0.2589309E+02 0.1087213E+05-0.2994777E-03 0.5259964E+05 0.7888806E+01 TiCl4 4 4.000 5-4.000 6 1.00024 TiCl4 11.916 9.744 8.100 7.155 6.575 6.204 5.961 5.803 JA85 TiCl4 5.700 5.636 5.600 5.584 5.583 TiCl4 -0.2023405E+02 0.3977219E+04-0.2810799E-03 0.4740483E+05 0.7420252E+01 TiF 4 1.500 1-3.000 6 1.00024 TiF 103.490 80.147 60.655 48.053 39.256 32.779 27.818 23.902 JA85 TiF 20.735 18.125 15.937 14.079 12.483 TiF -0.3075521E+02 0.3548577E+05-0.3141837E-03 0.1436495E+03 0.6190263E+01 TiF2 4 1.000 1-2.000 6 1.00024 TiF2 47.224 36.145 26.973 21.102 17.042 14.080 11.833 10.075 JA85 TiF2 8.666 7.514 6.558 5.752 5.066 TiF2 -0.2748667E+02 0.1730580E+05-0.3584099E-03 0.1031938E+05 0.6731858E+01 TiF3 4 0.500 1-1.000 6 1.00024 TiF3 11.234 8.114 5.551 3.924 2.807 1.998 1.389 0.916 JA85 TiF3 0.540 0.235 -0.017 -0.227 -0.405 TiF3 -0.1152251E+02 0.4898737E+04-0.1132215E-03 0.1319393E+05 0.2510218E+01 TiO 5 1.000 1 1.000 2-4.000 6 1.00024 TiO 116.801 90.313 68.218 53.950 44.001 36.684 31.087 26.674 JA85 TiO 23.111 20.177 17.722 15.639 13.852 TiO -0.3790894E+02 0.4035835E+05-0.3069725E-03 0.5157869E+04 0.7832393E+01 TiOCl 6 0.500 1 1.000 2 1.000 5-4.000 6 1.00024 TiOCl 85.423 66.205 50.220 39.930 32.777 27.530 23.527 20.380 JA85 TiOCl 17.845 15.764 14.027 12.557 11.299 TiOCl -0.3159118E+02 0.2940496E+05-0.2747859E-03 0.2267875E+05 0.7361803E+01 TiOCl2 5 1.000 2 2.000 5-4.000 6 1.00024 TiOCl2 52.165 40.311 30.522 24.270 19.956 16.817 14.440 12.585 JA85 TiOCl2 11.103 9.895 8.895 8.056 7.343 TiOCl2 -0.2779071E+02 0.1839746E+05-0.2184712E-03 0.3469500E+05 0.7244132E+01 TiOF 5 0.500 1 1.000 2-3.000 6 1.00024 TiOF 84.023 65.062 49.249 39.039 31.920 26.685 22.680 19.522 JA85 TiOF 16.973 14.873 13.116 11.627 10.348 TiOF -0.2605242E+02 0.2880551E+05-0.1842995E-03 0.1346179E+05 0.5401135E+01 TiOF2 4 1.000 2-2.000 6 1.00024 TiOF2 49.656 38.369 28.972 22.914 18.696 15.598 13.232 11.368 JA85 TiOF2 9.866 8.630 7.598 6.724 5.974 TiOF2 -0.1656366E+02 0.1711439E+05-0.7926997E-04 0.2029808E+05 0.3480769E+01 TiO2 4 2.000 2-4.000 6 1.00024 TiO2 97.767 75.429 56.803 44.781 36.401 30.240 25.529 21.816 JA85 TiO2 18.820 16.354 14.291 12.543 11.044 TiO2 -0.3220369E+02 0.3395257E+05-0.1649845E-03 0.1617530E+05 0.6450136E+01 V 4 2.000 1-4.000 5 1.00029 V 101.918 78.218 58.230 45.175 35.973 29.137 23.855 19.650 JA85 V 16.222 13.374 10.968 8.910 7.127 V -0.1393188E+02 0.3547309E+05-0.6251649E-04-0.7543087E+05-0.9134201E+00 VO 5 1.000 1 1.000 2-4.000 5 1.00029 VO 76.828 58.301 42.717 32.564 25.427 20.136 16.058 12.819 JA85 VO 10.184 8.000 6.159 4.587 3.229 VO -0.1739994E+02 0.2781269E+05-0.3556532E-04-0.4157609E+05 0.5746848E+00 VO2 4 2.000 2-4.000 5 1.00029 VO2 57.319 42.956 30.853 22.952 17.387 13.254 10.063 7.524 JA85 VO2 5.456 3.739 2.291 1.053 -0.018 VO2 -0.1141263E+02 0.2133091E+05 0.1362394E-03-0.2635578E+05-0.1033244E+01 W 4 3.000 1 1.00018-4.000 2 W 128.670 100.882 77.583 62.461 51.868 44.042 38.028 33.267 JA85 W 29.405 26.212 23.527 21.240 19.268 W -0.2566172E+02 0.4235086E+05-0.4565290E-03-0.6801376E+05 0.5329498E+01 WBr 5 2.500 1 1.000 7 1.00018-4.000 2 WBr 90.467 70.809 54.511 44.066 36.840 31.567 27.563 24.431 JA85 WBr 21.920 19.868 18.162 16.725 15.500 WBr -0.4438795E+02 0.3108286E+05-0.7537681E-03-0.3067443E+05 0.1259776E+02 WBr5 5 0.500 1 5.000 7 1.00018-4.000 2 WBr5 -3.581 -0.688 2.010 3.960 5.461 6.665 7.663 8.508 JA85 WBr5 9.236 9.874 10.438 10.942 11.396 WBr5 -0.2677896E+02-0.2661911E+04-0.7104784E-03 0.2701964E+05 0.1294597E+02 WBr6 4 6.000 7 1.00018-4.000 2 WBr6 0.960 4.115 7.027 9.111 10.701 11.968 13.011 13.891 JA85 WBr6 14.646 15.304 15.884 16.402 16.866 WBr6 -0.1897050E+02-0.3189075E+04-0.6599226E-03 0.3532315E+05 0.1229618E+02 WCl 5 2.500 1 1.000 5 1.00018-4.000 2 WCl 94.481 73.997 56.991 46.075 38.510 32.980 28.776 25.481 JA85 WCl 22.835 20.669 18.866 17.345 16.046 WCl -0.4217340E+02 0.3219358E+05-0.7007744E-03-0.2964452E+05 0.1180836E+02 WCl2 5 2.000 1 2.000 5 1.00018-4.000 2 WCl2 15.344 11.564 8.630 6.900 5.806 5.083 4.590 4.249 JA85 WCl2 4.010 3.842 3.727 3.648 3.597 WCl2 -0.4171946E+02 0.7452155E+04-0.8294279E-03-0.7338699E+04 0.1309337E+02 WCl4 5 1.000 1 4.000 5 1.00018-4.000 2 WCl4 0.075 1.160 2.263 3.124 3.824 4.413 4.917 5.358 JA85 WCl4 5.747 6.095 6.409 6.693 6.953 WCl4 -0.2311855E+02-0.2860396E+03-0.5314312E-03 0.5712618E+04 0.9799080E+01 WCl5 5 0.500 1 5.000 5 1.00018-4.000 2 WCl5 7.803 8.339 8.989 9.556 10.051 10.486 10.873 11.218 JA85 WCl5 11.530 11.813 12.070 12.307 12.525 WCl5 -0.1753060E+02 0.4091997E+03-0.5520248E-03 0.2148404E+05 0.9652324E+01 (WCl5)2 5 1.000 110.000 5 2.00018-8.000 2 (WCl5)2 13.091 15.656 18.133 19.980 21.435 22.625 23.625 24.482 JA85 (WCl5)2 25.229 25.887 26.474 27.001 27.478 (WCl5)2 -0.2090021E+02-0.1736121E+04-0.9872885E-03 0.2465372E+05 0.1609712E+02 WCl6 4 6.000 5 1.00018-4.000 2 WCl6 15.400 15.536 15.833 16.156 16.470 16.763 17.035 17.285 JA85 WCl6 17.516 17.729 17.926 18.108 18.278 WCl6 -0.8502727E+01 0.8047247E+03-0.4811699E-03 0.2792750E+05 0.8500094E+01 WF 5 2.500 1 1.000 6 1.00018-4.000 2 WF 96.746 75.734 58.187 46.849 38.942 33.126 28.676 25.168 JA85 WF 22.334 20.001 18.048 16.390 14.967 WF -0.2951021E+02 0.3244662E+05-0.4525796E-03-0.4511108E+05 0.7303534E+01 WF6 4 -4.000 2 6.000 6 1.00018 WF6 -9.518 -4.514 -0.394 2.229 4.033 5.341 6.328 7.095 JA85 WF6 7.706 8.200 8.608 8.948 9.234 WF6 0.2428598E+02-0.7716826E+04-0.2537028E-04-0.2561500E+05-0.3081886E+01 WO 4 2.000 1-3.000 2 1.00018 WO 95.570 74.323 56.633 45.241 37.323 31.517 27.090 23.611 JA85 WO 20.810 18.510 16.592 14.969 13.579 WO -0.3919556E+02 0.3311255E+05-0.5503354E-03-0.3914697E+05 0.9824444E+01 WOCl4 4 -3.000 2 4.000 5 1.00018 WOCl4 3.977 4.881 5.770 6.440 6.974 7.413 7.785 8.105 JA85 WOCl4 8.385 8.633 8.855 9.056 9.238 WOCl4 -0.8875196E+01-0.6194342E+03-0.3000268E-03 0.1828410E+05 0.5986641E+01 WO2 4 1.000 1-2.000 2 1.00018 WO2 77.961 60.465 45.912 36.548 30.046 25.282 21.653 18.804 JA85 WO2 16.512 14.633 13.067 11.743 10.612 WO2 -0.3338833E+02 0.2723030E+05-0.3798214E-03-0.2145151E+05 0.8233371E+01 WO2Cl2 4 -2.000 2 2.000 5 1.00018 WO2Cl2 -11.633 -9.289 -7.185 -5.716 -4.615 -3.751 -3.047 -2.460 JA85 WO2Cl2 -1.960 -1.527 -1.147 -0.810 -0.508 WO2Cl2 -0.1951203E+02-0.2573903E+04-0.2928963E-03 0.5096977E+04 0.6685146E+01 WO3 3 -1.000 2 1.00018 WO3 58.585 45.577 34.776 27.839 23.030 19.512 16.837 14.739 JA85 WO3 13.055 11.677 10.530 9.563 8.738 WO3 -0.2493643E+02 0.2019685E+05-0.2203283E-03 0.5279016E+02 0.6403864E+01 (WO3)2 3 -2.000 2 2.00018 (WO3)2 24.084 18.467 14.074 11.450 9.765 8.632 7.844 7.285 JA85 (WO3)2 6.882 6.591 6.380 6.230 6.124 (WO3)2 -0.4852022E+02 0.1027918E+05-0.6344209E-03 0.3294429E+05 0.1533529E+02 (WO3)3 3 -3.000 2 3.00018 (WO3)3 -6.271 -4.968 -3.466 -2.192 -1.098 -0.144 0.698 1.450 JA85 (WO3)3 2.127 2.741 3.301 3.815 4.290 (WO3)3 -0.5589138E+02 0.5052367E+03-0.8619613E-03 0.4193365E+05 0.1928159E+02 (WO3)4 3 -4.000 2 4.00018 (WO3)4 -23.448 -17.973 -12.842 -9.114 -6.232 -3.908 -1.975 -0.332 JA85 (WO3)4 1.091 2.340 3.449 4.443 5.342 (WO3)4 -0.7105138E+02-0.4796411E+04-0.1200658E-02 0.4228005E+05 0.2569192E+02 W3O8 4 1.000 1-4.000 2 3.00018 W3O8 3.790 2.573 1.961 1.867 2.007 2.259 2.565 2.894 JA85 W3O8 3.230 3.563 3.888 4.203 4.506 W3O8 -0.6297365E+02 0.4633322E+04-0.1014199E-02 0.1037317E+05 0.2077610E+02 Zn 4 1.000 1-2.000 5 1.00011 Zn 30.702 23.186 16.853 12.721 9.811 7.652 5.985 4.659 JA85 Zn 3.579 2.682 1.926 1.278 0.718 Zn -0.7177704E+01 0.1131215E+05-0.5749448E-04-0.2569322E+05 0.9890783E-01 ******** Begin Solids and Liquids ******** Ag(C) 107.87 3 0.500 1-1.000 5 1.00039 Ag(C) -27.481 -21.113 -15.793 -12.350 -9.946 -8.176 -6.821 -5.752 Shock07 SILVER Ag(C) -4.890 -4.180 -3.588 -3.087 -2.658 Ag(C) 0.5929737E+01-0.9478154E+04-0.2331389E-03-0.1261462E+05-0.5695876E+00 AgCl(C) 143.32 1 1.00039 AgCl(C) -30.025 -22.438 -16.112 -12.037 -9.205 -7.132 -5.554 -4.318 Shock07 CHLORARGYRITE AgCl(C) -3.327 -2.518 -1.846 -1.282 -0.803 AgCl(C) 0.1586618E+02-0.1178911E+05-0.2179338E-03 0.2135447E+05-0.2637208E+01 Ag2S(C) 247.80 3 1.000 4-2.000 5 2.00039 Ag2S(C) -56.083 -42.939 -31.973 -24.984 -20.179 -16.666 -13.981 -11.865 Shock07 ACANTHITE; argentite also available Ag2S(C) -10.158 -8.754 -7.580 -6.585 -5.733 Ag2S(C) 0.5779731E+02-0.2251860E+05 0.2695370E-02 0.1475657E+06-0.1649782E+02 akermani 272.63 6 7.000 2-6.000 5-8.000 6 2.00021 1.00022 2.00023 akermani -59.731 -47.456 -37.042 -30.197 -25.347 -21.728 -18.922 -16.681 HP11 akermani -14.851 -13.328 -12.042 -10.940 -9.988 akermani-0.1136685E+02-0.1787450E+05-0.6796886E-03 0.4174037E+05 0.4574921E+01 albit-hi 262.22 6 8.000 2-1.000 5-15.00 6 1.000 8 1.00013 3.00021 albit-hi 1.949 0.164 -0.929 -1.366 -1.496 -1.470 -1.360 -1.205 HP11 albit-hi -1.025 -0.835 -0.640 -0.445 -0.254 albit-hi-0.5138735E+02 0.3925722E+04-0.8229720E-03 0.1481579E+06 0.1565936E+02 albit-lo 262.22 6 8.000 2-1.000 5-15.00 6 1.000 8 1.00013 3.00021 albit-lo 0.379 -0.913 -1.592 -1.759 -1.700 -1.533 -1.315 -1.073 HP11 albit-lo -0.824 -0.575 -0.331 -0.095 0.132 albit-lo-0.5086894E+02 0.3225734E+04-0.8490098E-03 0.1453451E+06 0.1578009E+02 almandin 497.75 6 12.000 2-6.000 5-18.00 6 3.00010 2.00013 3.00021 almandin -26.967 -21.663 -16.916 -13.645 -11.239 -9.387 -7.912 -6.706 HP11 almandin -5.700 -4.847 -4.115 -3.478 -2.920 almandin-0.2559242E+02-0.7755662E+04-0.9412656E-03 0.1851839E+06 0.9228574E+01 alunite 414.20 7 -8.000 114.000 2 2.000 4-1.000 5-9.000 6 1.000 9 3.00013 alunite -27.286 -10.964 3.283 12.819 19.645 24.774 28.771 31.976 Shock07 alunite 34.605 36.803 38.670 40.277 41.676 alunite 0.6977166E+02-0.2939649E+05 0.9816677E-03 0.8019723E+06-0.3142464E+01 andalusi 162.05 4 5.000 2-10.00 6 2.00013 1.00021 andalusi -16.485 -13.551 -10.801 -8.823 -7.313 -6.112 -5.127 -4.300 HP11 andalusi -3.593 -2.979 -2.439 -1.960 -1.532 andalusi-0.3066371E+02-0.3695497E+04-0.5782670E-03 0.1257096E+06 0.1023736E+02 anorthit 278.21 6 8.000 2-2.000 5-14.00 6 2.00013 2.00021 1.00023 anorthit -37.628 -30.690 -24.294 -19.750 -16.312 -13.595 -11.379 -9.526 HP11 anorthit -7.947 -6.582 -5.385 -4.326 -3.381 anorthit-0.6542576E+02-0.8528841E+04-0.1331331E-02 0.2102264E+06 0.2199919E+02 anthophy 780.82 5 24.000 2-14.00 5-32.00 6 8.00021 7.00022 anthophy-110.279 -87.455 -67.409 -53.803 -43.902 -36.338 -30.351 -25.482 HP11 anthophy -21.437 -18.019 -15.089 -12.549 -10.324 anthophy-0.8331604E+02-0.3237787E+05-0.3010070E-02 0.4494550E+06 0.3130990E+02 arsenoli 197.84 3 3.000 2-6.000 5 2.00019 arsenoli 6.167 4.832 3.689 2.918 2.347 1.895 1.518 1.192 Bess05 arsenoli 0.902 0.637 0.391 0.159 -0.062 arsenoli-0.6715759E+01 0.2159469E+04-0.1918781E-02-0.4349128E+04 0.2530256E+01 Au(C) 196.97 1 1.00040 Au(C) -57.191 -44.315 -33.526 -26.524 -21.619 -17.993 -15.208 -13.002 Shock07 GOLD Au(C) -11.214 -9.736 -8.494 -7.437 -6.527 Au(C) 0.1043732E+02-0.1926540E+05-0.5897898E-04-0.2444410E+04-0.1198972E+01 bornite 501.82 5 -0.500 1 4.000 4-7.000 5 1.00010 5.00014 bornite -191.164-147.174-110.359 -86.686 -70.241 -58.168 -48.949 -41.692 MR2002 bornite -35.842 -31.033 -27.014 -23.611 -20.694 bornite 0.1217853E+03-0.7192500E+05 0.3611227E-02 0.4126661E+06-0.3129551E+02 brucite 58.32 3 2.000 2-2.000 5 1.00022 brucite -29.645 -21.476 -14.772 -10.532 -7.640 -5.560 -4.006 -2.810 HP11 brucite -1.868 -1.111 -0.494 0.016 0.442 brucite 0.3806593E+02-0.1358102E+05 0.3568820E-03 0.3019033E+05-0.9135822E+01 CaF2(C) 78.08 3 -2.000 5 2.000 6 1.00023 CaF2(C) -58.549 -44.778 -33.308 -25.914 -20.770 -16.997 -14.122 -11.865 Shock07 fluorite CaF2(C) -10.052 -8.569 -7.337 -6.300 -5.420 CaF2(C) 0.1710290E+02-0.2064293E+05-0.7010659E-03-0.3365048E+05-0.2355115E+01 gypsum 172.17 5 -4.000 1 6.000 2 1.000 4-2.000 5 1.00023 gypsum -18.357 -8.969 -1.037 4.097 7.639 10.186 12.066 13.474 MA07 gypsum 14.536 15.336 15.932 16.365 16.667 gypsum -0.3062666E+01-0.1336976E+05-0.7357077E-02 0.7158949E+05 0.1250232E+02 Ca-Al.PX 218.12 6 6.000 2-2.000 5-10.00 6 2.00013 1.00021 1.00023 Ca-Al.PX -46.889 -37.224 -28.904 -23.360 -19.385 -16.386 -14.039 -12.147 HP11 Ca-Al.PX -10.588 -9.279 -8.164 -7.201 -6.362 Ca-Al.PX-0.1726074E+02-0.1409927E+05-0.5446942E-03 0.1110927E+06 0.6697954E+01 calcite 100.09 4 1.000 2 1.000 3-2.000 5 1.00023 calcite -38.124 -28.086 -19.667 -14.205 -10.382 -7.563 -5.401 -3.694 HP11 calcite -2.313 -1.176 -0.224 0.583 1.275 calcite 0.1655861E+02-0.1531600E+05-0.1810188E-03 0.3211634E+05-0.1462900E+01 chalcopy 183.51 5 -0.500 1 2.000 4-3.000 5 1.00010 1.00014 chalcopy -55.260 -42.163 -31.213 -24.133 -19.196 -15.571 -12.838 -10.753 Shock07 chalcopy -9.099 -7.761 -6.660 -5.742 -4.969 chalcopy 0.2088020E+02-0.2108414E+05-0.1952227E-02 0.1784969E+06-0.2765711E+01 chrysoti 277.11 5 9.000 2-6.000 5-8.000 6 2.00021 3.00022 chrysoti -71.755 -53.615 -38.587 -28.981 -22.361 -17.552 -13.921 -11.098 HP11 chrysoti -8.850 -7.027 -5.523 -4.268 -3.207 chrysoti 0.6065890E+02-0.2950698E+05 0.3700806E-03 0.1014743E+06-0.1402295E+02 cinnabar 232.65 3 -1.000 1 1.000 4 1.00041 cinnabar -7.801 -4.468 -1.664 0.160 1.439 2.383 3.106 3.677 Shock07 cinnabar 4.137 4.515 4.830 5.096 5.323 cinnabar 0.8518595E+01-0.5031365E+04-0.2701220E-03 0.1414428E+05 0.1928356E+00 cinn-met 232.65 3 -1.000 1 1.000 4 1.00041 cinn-met -7.432 -4.240 -1.554 0.194 1.419 2.322 3.015 3.561 Shock07 cinn-met 4.001 4.363 4.664 4.918 5.135 cinn-met 0.8571846E+01-0.4858317E+04-0.2441764E-03 0.1759308E+05 0.6706874E-01 claudeti 197.84 3 3.000 2-6.000 5 2.00019 claudeti 6.101 4.717 3.537 2.747 2.171 1.723 1.358 1.050 Bess05 claudeti 0.783 0.545 0.330 0.132 -0.052 claudeti-0.2874855E+01 0.2032134E+04-0.1133338E-02 0.6136979E+04 0.9816229E+00 clinochl 555.80 6 18.000 2-10.00 5-18.00 6 2.00013 3.00021 5.00022 clinochl-166.338-125.087 -90.622 -68.378 -52.900 -41.551 -32.904 -26.117 HP11 clinochl -20.665 -16.203 -12.492 -9.366 -6.704 clinochl 0.8914003E+02-0.6498729E+05-0.4013666E-03 0.2341171E+06-0.1617486E+02 clinoens 100.39 5 3.000 2-2.000 5-4.000 6 1.00021 1.00022 clinoens-271.779-218.035-173.107-144.050-123.771-108.848 -97.432 -88.433 HP11 clinoens -81.170 -75.195 -70.201 -65.970 -62.346 clinoens 0.3688775E+02-0.8231421E+05-0.2304194E-03 0.9941669E+05-0.1359229E+02 coesite 60.08 3 2.000 2-4.000 6 1.00021 coesite 13.343 9.945 7.214 5.522 4.388 3.587 2.999 2.553 HP11 coesite 2.208 1.935 1.716 1.538 1.392 coesite -0.1857583E+02 0.5568592E+04-0.2853287E-03 0.3265994E+05 0.5237280E+01 cordieri 584.96 6 18.000 2-4.000 5-32.00 6 4.00013 5.00021 2.00022 cordieri -52.628 -43.982 -35.602 -29.397 -24.557 -20.639 -17.378 -14.607 HP11 cordieri -12.213 -10.116 -8.259 -6.599 -5.105 cordieri-0.1302457E+03-0.9534179E+04-0.2488371E-02 0.4301001E+06 0.4263560E+02 corundum 101.96 3 3.000 2-6.000 6 2.00013 corundum -28.592 -22.443 -17.035 -13.356 -10.670 -8.610 -6.974 -5.636 HP11 corundum -4.520 -3.572 -2.755 -2.043 -1.416 corundum-0.2275496E+02-0.8552012E+04-0.5743353E-03 0.1062371E+06 0.8819230E+01 cristo-a 60.08 3 2.000 2-4.000 6 1.00021 cristo-a 13.233 9.826 7.246 5.751 4.818 4.206 3.793 3.509 HP11 cristo-a 3.313 3.178 3.087 3.027 2.992 cristo-a-0.2970351E+02 0.5509474E+04-0.3707155E-03 0.1402357E+06 0.9291247E+01 cristo-b 60.08 3 2.000 2-4.000 6 1.00021 cristo-b 13.600 10.128 7.493 5.963 5.004 4.374 3.946 3.651 HP11 cristo-b 3.445 3.302 3.204 3.139 3.099 cristo-b-0.2945006E+02 0.5586755E+04-0.3592757E-03 0.1420328E+06 0.9222851E+01 Cu(C) 63.55 3 0.500 1-1.000 5 1.00014 Cu(C) -27.821 -21.360 -15.928 -12.390 -9.903 -8.060 -6.641 -5.516 HP11 copper Cu(C) -4.602 -3.846 -3.211 -2.670 -2.205 Cu(C) 0.2377863E+01-0.9497440E+04-0.2618143E-03-0.2142742E+04 0.7104314E+00 Cu2S(C) 159.15 3 1.000 4-2.000 5 2.00014 Cu2S(C) -65.464 -50.333 -37.806 -29.723 -24.086 -19.942 -16.769 -14.261 MR2002 CHALCOCITE Cu2S(C) -12.231 -10.555 -9.150 -7.955 -6.927 Cu2S(C) 0.1002548E+02-0.2132904E+05-0.2226902E-03-0.2026113E+06-0.6483333E+00 diamond 12.01 3 2.000 1 1.000 3-2.000 2 diamond -10.486 -7.369 -4.729 -2.994 -1.765 -0.848 -0.136 0.433 HP11 diamond 0.897 1.283 1.609 1.888 2.128 diamond -0.1891932E-01-0.4357934E+04-0.2863826E-03-0.7532927E+04 0.1745691E+01 diaspore 59.99 3 2.000 2-3.000 6 1.00013 diaspore -17.073 -12.631 -8.950 -6.597 -4.976 -3.800 -2.915 -2.230 HP11 diaspore -1.687 -1.251 -0.894 -0.599 -0.354 diaspore 0.1194283E+02-0.7019433E+04-0.3287089E-03 0.1191735E+05-0.2226194E+01 diopside 216.55 6 6.000 2-4.000 5-8.000 6 2.00021 1.00022 1.00023 1.0 1 diopside -38.003 -30.398 -23.775 -19.312 -16.082 -13.624 -11.685 -10.111 HP11 diopside -8.806 -7.703 -6.759 -5.940 -5.222 diopside-0.2303013E+02-0.1086348E+05-0.6218088E-03 0.1162305E+06 0.8220581E+01 fayalite 203.78 5 4.000 2-4.000 5-4.000 6 2.00010 1.00021 2.0 3 fayalite -11.104 -8.396 -6.079 -4.551 -3.470 -2.666 -2.047 -1.557 HP11 fayalite -1.161 -0.836 -0.565 -0.338 -0.144 fayalite-0.5292424E+00-0.4175156E+04-0.4737273E-03 0.4690042E+05 0.1229534E+01 Fe(C) 55.85 3 1.000 1-2.000 5 1.00010 Fe(C) -6.134 -4.659 -3.540 -2.894 -2.495 -2.238 -2.069 -1.958 HP11 iron Fe(C) -1.887 -1.843 -1.819 -1.810 -1.812 Fe(C) 0.1235163E+02-0.2462875E+04-0.8015038E-04-0.4934171E+05-0.3898330E+01 FeO(C) 71.85 3 1.000 2-2.000 5 1.00010 FeO(C) -7.909 -5.746 -3.957 -2.815 -2.031 -1.464 -1.039 -0.710 HP11 periclase-Fe; FERROUS-OXIDE also available FeO(C) -0.450 -0.240 -0.070 0.071 0.189 FeO(C) 0.8208682E+01-0.3564338E+04-0.3851098E-04 0.1636825E+05-0.1752084E+01 ferrosil 131.93 5 3.000 2-2.000 5-4.000 6 1.00010 1.00021 1.0 2 ferrosil-194.942-157.195-126.052-106.206 -92.557 -82.660 -75.200 -69.409 HP11 ferrosil -64.807 -61.080 -58.015 -55.463 -53.313 ferrosil 0.7024370E+02-0.5966316E+05-0.1184146E-04-0.1989091E+05-0.2620685E+02 forsteri 140.69 5 4.000 2-4.000 5-4.000 6 1.00021 2.00022 2.0 3 forsteri -44.113 -34.670 -26.724 -21.551 -17.918 -15.229 -13.162 -11.524 HP11 forsteri -10.196 -9.099 -8.179 -7.398 -6.726 forsteri 0.2750658E+01-0.1418007E+05-0.3351309E-03 0.2702809E+05 0.1989484E+00 galena 239.26 3 1.000 4-2.000 5 1.00016 galena -12.504 -9.392 -6.796 -5.120 -3.953 -3.096 -2.442 -1.928 Shock07 galena -1.514 -1.176 -0.894 -0.658 -0.456 galena 0.4136555E+01-0.4649419E+04-0.1739017E-03-0.6679038E+04-0.3715589E+00 graphite 12.01 3 2.000 1 1.000 3-2.000 2 graphite -10.995 -7.802 -5.079 -3.278 -1.994 -1.029 -0.276 0.329 HP11 graphite 0.826 1.242 1.594 1.898 2.161 graphite-0.2213699E+01-0.4395985E+04-0.2910393E-03-0.3003169E+04 0.2458489E+01 grossula 450.45 6 12.000 2-6.000 5-18.00 6 2.00013 3.00021 3.00023 grossula -92.042 -72.901 -56.281 -45.110 -37.040 -30.910 -26.080 -22.164 HP11 grossula -18.918 -16.179 -13.834 -11.800 -10.019 grossula-0.4979770E+02-0.2737711E+05-0.1339647E-02 0.2621839E+06 0.1900596E+02 H2O(l) 18.01 1 1.000 2 H2O(l) -1.511 0.001 0.054 0.109 0.162 0.211 0.256 0.297 HP11 H2O(l) 0.334 0.369 0.400 0.429 0.455 H2O(l) -0.2315582E+03 0.2413531E+05-0.1309938E-01-0.2792639E+07 0.7454108E+02 hedenber 248.09 6 6.000 2-4.000 5-8.000 6 2.00021 1.00010 1.00023 1.0 1 hedenber -19.551 -15.825 -12.590 -10.419 -8.855 -7.672 -6.745 -5.998 HP11 hedenber -5.383 -4.867 -4.429 -4.053 -3.726 hedenber-0.1118313E+02-0.5428566E+04-0.5167027E-03 0.6403173E+05 0.3747707E+01 hematite 159.69 4 -1.000 1 3.000 2-4.000 5 2.00010 hematite -22.450 -15.928 -10.626 -7.314 -5.084 -3.504 -2.341 -1.460 HP11 hematite -0.777 -0.239 0.191 0.540 0.825 hematite 0.4087316E+02-0.1136320E+05 0.4400695E-03 0.3838115E+05-0.1041604E+02 Hg(l) 200.59 1 1.00041 Hg(l) -5.585 -3.432 -1.641 -0.487 -0.006 -0.006 -0.005 -0.005 Shock07 QUICKSILVER Hg(l) -0.005 -0.005 -0.005 -0.005 -0.004 Hg(l) 0.3202066E+03-0.2942697E+05 0.1967610E-01 0.2214355E+07-0.1042150E+03 ilmenite 151.73 5 3.000 2-2.000 5-4.000 6 1.00010 1.00024 ilmenite -15.741 -12.515 -9.733 -7.874 -6.539 -5.529 -4.738 -4.099 HP11 ilmenite -3.572 -3.128 -2.750 -2.423 -2.138 ilmenite-0.6901777E+01-0.4651944E+04-0.2142524E-03 0.3618406E+05 0.2594685E+01 jadeite 202.14 6 6.000 2-1.000 5-11.00 6 1.000 8 1.00013 2.00021 1.0 1 jadeite -10.610 -8.590 -6.560 -5.013 -3.781 -2.768 -1.915 -1.184 HP11 jadeite -0.547 0.014 0.512 0.959 1.363 jadeite -0.3934478E+02-0.1795880E+04-0.9463662E-03 0.1107902E+06 0.1365728E+02 KCl(C) 74.55 1 1.000 9 KCl(C) -30.687 -22.895 -16.388 -12.185 -9.256 -7.105 -5.464 -4.175 HP11 sylvite KCl(C) -3.139 -2.291 -1.586 -0.993 -0.489 KCl(C) 0.1147408E+02-0.1175212E+05-0.4494662E-03-0.1345250E+04-0.1048770E+01 K2O(C) 94.20 3 1.000 2-2.000 5 2.000 9 K2O(C) 31.958 27.581 23.809 21.274 19.433 18.021 16.893 15.963 Shock07 POTASSIUM-OXIDE K2O(C) 15.178 14.501 13.909 13.382 12.909 K2O(C) 0.1966527E+02 0.5951995E+04-0.8736367E-03 0.1590381E+04-0.3001807E+01 kaolinit 258.16 4 9.000 2-14.00 6 2.00013 2.00021 kaolinit -12.149 -7.502 -3.023 0.288 2.874 4.976 6.735 8.242 HP11 kaolinit 9.556 10.718 11.759 12.700 13.558 kaolinit-0.4317070E+02-0.5541179E+04 0.2184595E-03 0.2341337E+06 0.1895703E+02 kyanite 162.05 4 5.000 2-10.00 6 2.00013 1.00021 kyanite -16.758 -13.673 -10.799 -8.742 -7.179 -5.940 -4.926 -4.078 HP11 kyanite -3.353 -2.726 -2.176 -1.688 -1.252 kyanite -0.2960253E+02-0.3958783E+04-0.5761287E-03 0.1276878E+06 0.1004581E+02 lawsonit 314.24 6 10.000 2-2.000 5-14.00 6 2.00013 2.00021 1.00023 lawsonit -46.079 -34.101 -24.121 -17.713 -13.283 -10.062 -7.630 -5.741 HP11 lawsonit -4.241 -3.029 -2.036 -1.212 -0.523 lawsonit 0.3429259E+02-0.1946626E+05-0.6568622E-03 0.1129124E+06-0.6529082E+01 lime 56.08 3 1.000 2-2.000 5 1.00023 lime -14.959 -11.258 -8.174 -6.188 -4.809 -3.799 -3.031 -2.429 HP11 lime -1.947 -1.552 -1.225 -0.950 -0.716 lime 0.7855441E+01-0.5770105E+04-0.6756023E-04 0.1068342E+05-0.1439300E+01 litharge 223.20 3 1.000 2-2.000 5 1.00016 litharge 5.530 5.093 4.686 4.387 4.151 3.956 3.789 3.642 Shock07 litharge 3.512 3.393 3.284 3.184 3.089 litharge 0.8923095E+01 0.3032044E+03-0.2357079E-03 0.9735629E+04-0.1798113E+01 magnesit 84.31 4 1.000 2 1.000 3-2.000 5 1.00022 magnesit -34.362 -24.998 -17.266 -12.337 -8.945 -6.486 -4.632 -3.192 HP11 magnesit -2.048 -1.121 -0.358 0.277 0.813 magnesit 0.3246087E+02-0.1492940E+05 0.6489451E-04 0.9947693E+04-0.6822021E+01 magnetit 231.54 4 -1.000 1 4.000 2-6.000 5 3.00010 1.0 5 magnetit -35.490 -25.862 -18.130 -13.364 -10.199 -7.988 -6.384 -5.188 HP11 magnetit -4.278 -3.574 -3.022 -2.585 -2.236 magnetit 0.6722470E+02-0.1697520E+05 0.8005939E-03 0.1404495E+05-0.1866134E+02 margarit 398.19 6 12.000 2-2.000 5-20.00 6 4.00013 2.00021 1.00023 margarit -73.240 -57.173 -43.402 -34.274 -27.765 -22.880 -19.075 -16.025 HP11 margarit -13.523 -11.433 -9.661 -8.139 -6.817 margarit-0.1292373E+02-0.2409145E+05-0.8253700E-03 0.2058684E+06 0.7442953E+01 meionite 934.72 7 25.000 2 1.000 3-8.000 5-42.00 6 6.00013 6.00021 4.00023 meionite-142.825-114.419 -89.244 -71.986 -59.310 -49.545 -41.752 -35.366 HP11 meionite -30.023 -25.477 -21.555 -18.134 -15.120 meionite-0.1471774E+03-0.3826509E+05-0.4223151E-02 0.5206379E+06 0.5176793E+02 merwinit 328.71 6 8.000 2-8.000 5-8.000 6 2.00021 1.00022 3.00023 merwinit -82.800 -65.174 -50.202 -40.357 -33.380 -28.172 -24.134 -20.910 HP11 merwinit -18.276 -16.084 -14.231 -12.645 -11.271 merwinit-0.9904476E+01-0.2607187E+05-0.7621296E-03 0.1051981E+06 0.5493685E+01 microcli 278.33 6 8.000 2-1.000 5-15.00 6 1.000 9 1.00013 3.00021 microcli -0.653 -1.713 -2.197 -2.237 -2.087 -1.853 -1.583 -1.301 HP11 microcli -1.018 -0.742 -0.476 -0.221 0.023 microcli-0.5156492E+02 0.2940008E+04-0.9177633E-03 0.1411427E+06 0.1605900E+02 MnS(C) 87.00 3 1.000 4-2.000 5 1.00028 MnS(C) -17.456 -13.462 -10.123 -7.959 -6.445 -5.328 -4.471 -3.794 Shock07 alabandite MnS(C) -3.246 -2.794 -2.415 -2.094 -1.818 MnS(C) 0.2823498E+01-0.5886589E+04-0.1152478E-03-0.1190810E+05-0.1484744E+00 MoS2(C) 160.06 4 1.000 1-4.000 2 2.000 4 1.00017 MoS2(C) -56.705 -44.374 -33.824 -26.816 -21.796 -18.007 -15.036 -12.637 Shock07 molybdenite MoS2(C) -10.655 -8.987 -7.561 -6.327 -5.247 MoS2(C) -0.2361039E+02-0.1699115E+05-0.5555069E-03 0.6469008E+04 0.9693877E+01 monticel 156.47 6 4.000 2-4.000 5-4.000 6 1.00021 1.00022 1.00023 monticel -44.034 -34.634 -26.759 -21.656 -18.088 -15.458 -13.444 -11.853 HP11 monticel -10.568 -9.508 -8.621 -7.869 -7.223 monticel 0.9461226E+01-0.1445985E+05-0.4573084E-05 0.3342268E+05-0.2170701E+01 muscovit 398.31 6 12.000 2-1.000 5-21.00 6 1.000 9 3.00013 3.00021 muscovit -35.514 -27.620 -20.659 -15.926 -12.481 -9.850 -7.769 -6.077 HP11 muscovit -4.673 -3.486 -2.470 -1.589 -0.818 muscovit-0.2181372E+02-0.1178638E+05-0.8643367E-03 0.2247948E+06 0.9521484E+01 NaCl(C) 58.44 1 1.000 8 NaCl(C) -32.036 -23.959 -17.210 -12.847 -9.805 -7.569 -5.861 -4.518 HP11 halite NaCl(C) -3.437 -2.552 -1.815 -1.195 -0.666 NaCl(C) 0.1106486E+02-0.1214245E+05-0.4486495E-03-0.3011720E+04-0.8920385E+00 Na2O(C) 61.98 3 1.000 2-2.000 5 2.000 8 Na2O(C) 11.310 11.106 10.873 10.667 10.481 10.309 10.148 9.998 Shock07 SODIUM-OXIDE Na2O(C) 9.855 9.719 9.590 9.466 9.346 Na2O(C) 0.1925858E+02-0.3003077E+03-0.4566473E-03 0.2314160E+05-0.2855392E+01 Ni(C) 58.69 3 1.000 1-2.000 5 1.00027 Ni(C) -18.281 -14.417 -11.233 -9.201 -7.800 -6.781 -6.009 -5.408 HP11 nickel Ni(C) -4.928 -4.538 -4.215 -3.946 -3.718 Ni(C) 0.5498926E+01-0.5771905E+04-0.1036387E-03-0.3404678E+05-0.1619337E+01 orpiment 246.02 3 3.000 4 2.00019-6.000 5 orpiment -10.716 -8.699 -6.985 -5.859 -5.064 -4.477 -4.030 -3.682 Bess05 orpiment -3.407 -3.187 -3.012 -2.871 -2.759 orpiment-0.1245916E+02-0.2361073E+04-0.1347502E-02-0.2884293E+05 0.4198316E+01 orthoens 100.39 5 3.000 2-2.000 5-4.000 6 1.00021 1.00022 1.0 2 orthoens-271.649-218.027-173.376-144.619-124.630-109.979 -98.815 -90.050 HP11 orthoens -83.004 -77.231 -72.426 -68.372 -64.915 orthoens 0.5362791E+02-0.8261586E+05-0.2580393E-03 0.3502272E+05-0.1960002E+02 paragoni 382.20 6 12.000 2-1.000 5-21.00 6 1.000 8 3.00013 3.00021 paragoni -35.144 -27.345 -20.616 -16.135 -12.931 -10.523 -8.646 -7.141 HP11 paragoni -5.907 -4.877 -4.005 -3.256 -2.608 paragoni-0.6172373E+01-0.1203715E+05-0.5566435E-03 0.1617347E+06 0.3939388E+01 PbSO4(C) 303.26 5 -4.000 1 4.000 2 1.000 4-2.000 5 1.00016 PbSO4(C) 22.138 20.170 18.574 17.559 16.847 16.310 15.880 15.518 Shock07 anglesite PbSO4(C) 15.203 14.919 14.656 14.409 14.173 PbSO4(C)-0.8974553E+01 0.3750758E+04-0.2907198E-02-0.3273204E+04 0.7854725E+01 periclas 40.30 3 1.000 2-2.000 5 1.00022 periclas -23.186 -17.858 -13.425 -10.572 -8.591 -7.139 -6.034 -5.166 HP11 periclas -4.469 -3.898 -3.423 -3.022 -2.680 periclas 0.9655085E+01-0.8225541E+04 0.5921685E-05 0.2348054E+04-0.2134090E+01 phlogopi 417.26 7 12.000 2-7.000 5-15.00 6 1.000 9 1.00013 3.00021 3.00022 phlogopi -95.866 -74.247 -56.023 -44.141 -35.790 -29.604 -24.841 -21.063 HP11 phlogopi -17.995 -15.455 -13.319 -11.498 -9.927 phlogopi 0.2001695E+02-0.3333329E+05 0.5204224E-04 0.1539501E+06-0.2356059E+01 picrochr 192.30 5 1.000 1 4.000 2-10.00 5 1.00022 2.00025 picrochr -87.754 -71.158 -57.294 -48.331 -42.077 -37.476 -33.957 -31.183 HP11 picrochr -28.945 -27.104 -25.566 -24.263 -23.148 picrochr 0.6346484E+01-0.2525441E+05-0.1540277E-03 0.1087232E+05-0.3828405E+01 prehnite 412.39 6 12.000 2-4.000 5-18.00 6 2.00013 3.00021 2.00023 prehnite -62.755 -49.168 -37.499 -29.751 -24.218 -20.061 -16.819 -14.217 HP11 prehnite -12.081 -10.296 -8.781 -7.480 -6.349 prehnite-0.1400380E+02-0.2033707E+05-0.7910916E-03 0.1859446E+06 0.7114221E+01 protoens 100.39 5 3.000 2-2.000 5-4.000 6 1.00021 1.00022 protoens-270.892-217.470-172.986-144.338-124.425-109.832 -98.712 -89.981 HP11 protoens -82.964 -77.214 -72.429 -68.392 -64.949 protoens 0.5388784E+02-0.8236455E+05-0.2242569E-03 0.3922631E+05-0.1976298E+02 pseudowo 116.16 5 3.000 2-2.000 5-4.000 6 1.00021 1.00023 pseudowo -17.285 -13.936 -11.016 -9.046 -7.618 -6.530 -5.671 -4.973 HP11 pseudowo -4.394 -3.904 -3.484 -3.120 -2.801 pseudowo-0.1163576E+02-0.4723982E+04-0.3119422E-03 0.4816753E+05 0.3938763E+01 pyrite 119.97 4 -1.000 1 2.000 4-2.000 5 1.00010 pyrite -22.597 -16.397 -11.104 -7.604 -5.114 -3.247 -1.795 -0.631 HP11 pyrite 0.322 1.118 1.793 2.372 2.874 pyrite 0.2544150E+00-0.9113491E+04-0.3422973E-03 0.5014068E+05 0.2931351E+01 pyrope 403.13 6 12.000 2-6.000 5-18.00 6 2.00013 3.00021 3.00022 pyrope -73.388 -58.576 -45.612 -36.832 -30.448 -25.572 -21.711 -18.567 HP11 pyrope -15.951 -13.736 -11.833 -10.179 -8.726 pyrope -0.5264998E+02-0.2083551E+05-0.1386741E-02 0.2398006E+06 0.1893785E+02 pyrophyl 360.32 4 12.000 2-22.00 6 2.00013 4.00021 pyrophyl 16.356 12.032 8.664 6.642 5.326 4.421 3.774 3.298 HP11 pyrophyl 2.941 2.668 2.456 2.290 2.160 pyrophyl-0.2782633E+02 0.6638183E+04-0.4254872E-03 0.1519656E+06 0.8218085E+01 pyrrhoti 81.60 4 -0.113 1 1.000 4-1.774 5 0.88710 pyrrhoti -17.319 -13.227 -9.817 -7.623 -6.101 -4.987 -4.141 -3.479 HP11 pyrrhoti -2.948 -2.515 -2.157 -1.856 -1.600 pyrrhoti 0.8446601E+01-0.6429291E+04-0.7443361E-04 0.1587486E+05-0.1761259E+01 quartz-a 60.08 3 2.000 2-4.000 6 1.00021 quartz-a 12.596 9.352 6.796 5.249 4.238 3.542 3.045 2.681 HP11 quartz-a 2.408 2.200 2.041 1.917 1.821 quartz-a-0.2341967E+02 0.5483332E+04-0.3363116E-03 0.4881989E+05 0.6941192E+01 realgar 427.93 4 2.000 1 4.000 4 4.00019-12.00 5 realgar -8.725 -5.822 -3.045 -0.960 0.705 2.092 3.279 4.318 Bess05 realgar 5.240 6.070 6.825 7.516 8.154 realgar -0.5170390E+02-0.9669868E+03 0.1234704E-05-0.9542044E+05 0.1911358E+02 rhodonit 131.02 5 3.000 2-2.000 5-4.000 6 1.00021 1.00028 rhodonit -0.552 -0.616 -0.508 -0.329 -0.136 0.054 0.233 0.401 HP11 rhodonit 0.557 0.701 0.835 0.959 1.075 rhodonit-0.1753921E+02 0.4787973E+03-0.3700963E-03 0.7181597E+05 0.5934221E+01 rutile 79.88 3 2.000 2-4.000 6 1.00024 rutile -3.217 -3.076 -2.854 -2.637 -2.437 -2.255 -2.091 -1.942 HP11 rutile -1.806 -1.682 -1.569 -1.465 -1.368 rutile -0.1597380E+02 0.3030452E+03-0.3020106E-03 0.2172288E+05 0.4682307E+01 S(ortho) 32.06 2 -1.000 1 1.000 4 S(ortho) 5.804 5.053 4.348 3.836 3.439 3.119 2.853 2.627 HP11 sulfur S(ortho) 2.432 2.261 2.110 1.975 1.854 S(ortho) 0.1375045E+02 0.5550318E+03 0.2863538E-03 0.1995869E+04-0.4007303E+01 sanidine 278.33 6 8.000 2-1.000 5-15.00 6 1.000 9 1.00013 3.00021 sanidine 0.862 -0.502 -1.242 -1.449 -1.416 -1.269 -1.066 -0.836 HP11 sanidine -0.597 -0.357 -0.121 0.108 0.329 sanidine-0.5211300E+02 0.3441743E+04-0.9547880E-03 0.1363227E+06 0.1623903E+02 Se(C) 78.96 2 -1.000 1 1.00035 Se(C) 5.323 4.716 4.167 3.687 3.302 2.997 2.748 2.540 Shock07 SELENIUM Se(C) 2.362 2.207 2.071 1.950 1.842 Se(C) 0.2218832E+02-0.8080887E+01 0.1108355E-02-0.1650116E+04-0.6933087E+01 silliman 162.05 4 5.000 2-10.00 6 2.00013 1.00021 silliman -16.121 -13.298 -10.659 -8.763 -7.317 -6.167 -5.225 -4.433 HP11 silliman -3.756 -3.169 -2.653 -2.195 -1.785 silliman-0.3008803E+02-0.3481415E+04-0.5780268E-03 0.1102360E+06 0.9931963E+01 Sn(C) 118.69 3 1.000 1-2.000 5 1.00038 Sn(C) 2.939 2.447 1.993 1.578 1.232 0.959 0.738 0.553 Shock07 TIN Sn(C) 0.395 0.258 0.138 0.030 -0.067 Sn(C) 0.2007638E+02-0.1048065E+03 0.1165318E-02-0.1179555E+05-0.6872831E+01 SnO(C) 134.69 3 1.000 2-2.000 5 1.00038 SnO(C) -2.071 -1.001 -0.133 0.410 0.774 1.031 1.217 1.355 Shock07 ROMARCHITE SnO(C) 1.459 1.537 1.596 1.641 1.673 SnO(C) 0.4523767E+01-0.1610684E+04-0.3635640E-03-0.1191657E+05-0.3839150E+00 SnO2(C) 150.69 4 -1.000 1 2.000 2-2.000 5 1.00038 SnO2(C) -8.064 -5.115 -2.653 -1.074 0.014 0.802 1.393 1.850 Shock07 CASSITERITE SnO2(C) 2.209 2.498 2.732 2.925 3.084 SnO2(C) 0.1412595E+02-0.5070782E+04-0.1608999E-03 0.5655145E+05-0.2332111E+01 SnS2(C) 182.81 4 -1.000 1 2.000 4-2.000 5 1.00038 SnS2(C) -10.926 -7.410 -4.452 -2.525 -1.173 -0.173 0.595 1.202 Shock07 BERNDTITE SnS2(C) 1.693 2.097 2.436 2.722 2.967 SnS2(C) 0.5798961E+01-0.5249006E+04-0.2437218E-03 0.9329758E+04 0.3427308E+00 sphaleri 97.44 3 1.000 4 1.00011-2.000 5 sphaleri -15.259 -11.666 -8.657 -6.706 -5.340 -4.331 -3.558 -2.946 Shock07 sphaleri -2.451 -2.043 -1.701 -1.410 -1.161 sphaleri 0.3312221E+01-0.5356056E+04-0.8871056E-04-0.2615517E+04-0.2226906E+00 sphene 196.04 6 5.000 2-2.000 5-8.000 6 1.00021 1.00023 1.00024 sphene -24.896 -20.317 -16.162 -13.252 -11.077 -9.377 -8.002 -6.861 HP11 sphene -5.895 -5.064 -4.340 -3.702 -3.134 sphene -0.3315682E+02-0.6091837E+04-0.6101170E-03 0.1372998E+06 0.1104509E+02 stibnite 339.68 3 3.000 4 2.00020-6.000 5 stibnite -3.614 -2.982 -2.471 -2.152 -1.938 -1.786 -1.675 -1.592 Bess05 stibnite -1.529 -1.480 -1.442 -1.413 -1.390 stibnite 0.4909807E+00-0.9360825E+03-0.1449358E-03-0.1064761E+05-0.3242460E+00 talc 379.27 5 12.000 2-6.000 5-16.00 6 4.00021 3.00022 talc -46.452 -36.130 -26.931 -20.601 -15.941 -12.343 -9.468 -7.106 HP11 talc -5.127 -3.438 -1.978 -0.701 0.428 talc -0.4336392E+02-0.1459827E+05-0.1046913E-02 0.2792623E+06 0.1739604E+02 tephroit 201.96 5 4.000 2-4.000 5-4.000 6 1.00021 2.00028 2.0 3 tephroit -13.496 -10.445 -7.843 -6.129 -4.915 -4.009 -3.309 -2.751 HP11 tephroit -2.297 -1.920 -1.604 -1.334 -1.102 tephroit-0.5532893E+00-0.4651037E+04-0.2339827E-03 0.3858180E+05 0.9265305E+00 tremolit 812.37 6 24.000 2-14.00 5-32.00 6 8.00021 5.00022 2.00023 tremolit-123.588 -97.932 -75.418 -60.142 -49.023 -40.525 -33.791 -28.307 HP11 tremolit -23.743 -19.878 -16.557 -13.669 -11.134 tremolit-0.8709865E+02-0.3658194E+05-0.2413599E-02 0.4982804E+06 0.3286463E+02 tridym-a 60.08 3 2.000 2-4.000 6 1.00021 tridym-a 13.089 9.744 7.153 5.620 4.642 3.987 3.534 3.214 HP11 tridym-a 2.985 2.819 2.700 2.615 2.556 tridym-a-0.2949606E+02 0.5847973E+04-0.4225817E-03 0.6228345E+05 0.9051059E+01 troilite 87.91 3 1.000 4-2.000 5 1.00010 troilite -18.067 -13.812 -10.266 -7.980 -6.391 -5.227 -4.341 -3.645 HP11 troilite -3.088 -2.631 -2.252 -1.933 -1.662 troilite 0.7370650E+01-0.6571622E+04-0.1052088E-03 0.7765259E+04-0.1395167E+01 ulvospin 223.57 5 4.000 2-4.000 5-4.000 6 2.00010 1.00024 1.0 5 ulvospin -24.412 -18.618 -12.977 -8.785 -5.510 -2.862 -0.665 1.194 HP11 ulvospin 2.790 4.177 5.394 6.470 7.427 ulvospin-0.9558123E+02-0.5251339E+04-0.3641757E-02 0.2243709E+06 0.3529858E+02 wollasto 116.16 5 3.000 2-2.000 5-4.000 6 1.00021 1.00023 wollasto -18.026 -14.474 -11.388 -9.312 -7.812 -6.673 -5.775 -5.047 HP11 wollasto -4.443 -3.935 -3.499 -3.122 -2.792 wollasto-0.1075250E+02-0.5053780E+04-0.3009225E-03 0.4809515E+05 0.3728373E+01 wurtzite 97.44 3 1.000 4 1.00011-2.000 5 1.0 9 wurtzite -12.959 -9.832 -7.214 -5.518 -4.332 -3.457 -2.786 -2.256 Shock07 wurtzite -1.827 -1.474 -1.178 -0.927 -0.711 wurtzite 0.3835242E+01-0.4705790E+04-0.4618098E-04 0.5127202E+03-0.4053418E+00 ZnO(C) 81.38 3 1.000 2-2.000 5 1.00011 ZnO(C) -2.022 -1.116 -0.378 0.082 0.391 0.608 0.766 0.883 Shock07 ZINCITE ZnO(C) 0.972 1.040 1.092 1.132 1.163 ZnO(C) 0.5839663E+01-0.1550811E+04-0.1237841E-03 0.5943008E+04-0.1087185E+01 zoisite 454.36 6 13.000 2-4.000 5-21.00 6 3.00013 3.00021 2.00023 zoisite -76.964 -60.940 -46.797 -37.141 -30.073 -24.642 -20.318 -16.781 HP11 zoisite -13.825 -11.312 -9.145 -7.255 -5.590 zoisite -0.6789008E+02-0.2213509E+05-0.1772066E-02 0.2998073E+06 0.2518686E+02 clinozoi 454.36 6 13.000 2-4.000 5-21.00 6 3.00013 3.00021 2.00023 clinozoi -76.989 -60.948 -46.702 -36.915 -29.713 -24.152 -19.705 -16.052 HP11 clinozoi -12.988 -10.373 -8.111 -6.131 -4.381 clinozoi-0.7816222E+02-0.2178242E+05-0.1825320E-02 0.3217689E+06 0.2875662E+02 ************************************************************************ CO2(F) 44.01 1 1.000 3 CO2(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 CO2(F) 3.516 3.422 3.341 3.275 3.222 CO2(F) 0.3931900E+00 H2S(F) 34.08 1 1.000 4 H2S(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 H2S(F) 3.516 3.422 3.341 3.275 3.222 H2S(F) -0.6972700E+00 HBr(F) 80.91 1 1.000 7 HBr(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 HBr(F) 3.516 3.422 3.341 3.275 3.222 HBr(F) -0.3167500E+01 HCl(F) 36.46 1 1.000 5 HCl(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 HCl(F) 3.516 3.422 3.341 3.275 3.222 HCl(F) 0.7810000E+00 HF(F) 20.01 1 1.000 6 HF(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 HF(F) 3.516 3.422 3.341 3.275 3.222 HF(F) -0.1065500E+01 H2O(F) 18.02 1 1.000 2 H2O(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 H2O(F) 3.516 3.422 3.341 3.275 3.222 H2O(F) -0.7618628E-01 GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG GG GG GG Gastherm Restore Version 4.0 GG GG GG GG By Robert Symonds (Michigan Technological Univerity) GG GG GG GG GG GG Last Revised: April, 1990 GG GG GG GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG Gastherm.rst is a special version of Gastherm for restoring gases. Because of this, it only contains a limited number of species. A star * as 8th character of a name means that data is not very good A non blank character ($) in the 16th column before itot will cause the name to be skipped ======================================================================== Component Molecular Atomic Species Weight Element Weight ************************************************************************ H2 2.0158 H 1.0079 1 H2O 18.0152 O 15.9994 2 CO2 44.0098 C 12.011 3 H2S(g) 34.0758 S 32.06 4 HCl 36.4609 Cl 35.453 5 HF 20.0063 F 18.9984 6 HBr 80.9119 Br 79.904 7 NaCl 58.4428 Na 22.9898 8 KCl 74.5513 K 39.0983 9 FeCl2 126.753 Fe 55.847 10 ZnCl2 136.286 Zn 65.38 11 Cd 112.4100 Cd 112.41 12 AlF3 83.9767 Al 26.9815 13 CuCl 98.999 Cu 63.546 14 BiCl3 315.3394 Bi 208.9804 15 PbCl2 278.1060 Pb 207.2 16 H2MoO4 161.9534 Mo 95.94 17 H2WO4 249.8634 W 183.85 18 AsCl3 181.2806 As 74.9216 19 SbCl3 228.109 Sb 121.75 20 SiF4 104.0791 Si 28.0855 21 MgCl2 95.2110 Mg 24.305 22 CaCl2 110.9860 Ca 40.08 23 TiF4 123.8736 Ti 47.88 24 CrCl4 193.8080 Cr 51.996 25 CoCl2:Co 129.8392 Co 58.9332 26 NiCl2 129.5960 Ni 58.69 27 MnCl2 125.8440 Mn 54.9380 28 VCl4 192.7535 V 50.9415 29 SrCl2 158.5260 Sr 87.62 30 GaCl3 176.0790 Ga 69.72 31 LiCl 42.3940 Li 6.941 32 RbCl 120.9208 Rb 85.4678 33 CsCl 168.3584 Cs 132.9054 34 H2Se 80.9758 Se 78.96 35 H2Te 129.6158 Te 127.60 36 N2 28.0134 N 14.0067 37 SnCl2 189.5960 Sn 118.69 38 AgCl 143.3210 Ag 107.868 39 Au 196.9665 Au 196.9665 40 Hg 200.59 Hg 200.59 41 Ir 192.22 Ir 192.22 42 O2 3 -2.000 1 2.000 2 O2 80.092 63.038 48.659 39.260 32.628 27.695 23.879 20.838 B672 O2 18.356 16.293 14.550 13.057 11.765 O2 0.4413789E+01 0.2484154E+05 0.3258344E-03 0.6035634E+04-0.3154572E+01 CH4 4 4.000 1-2.000 2 1.000 3 CH4 -19.891 -14.023 -8.967 -5.587 -3.155 -1.314 0.129 1.293 B677 CH4 2.251 3.054 3.737 4.324 4.833 CH4 -0.1286940E+02-0.7731752E+04-0.1100509E-02 0.4447266E+04 0.7754935E+01 CO 4 1.000 1 1.000 3-1.000 2 CO 5.017 3.573 2.377 1.616 1.094 0.718 0.436 0.218 B672 CO 0.046 -0.093 -0.207 -0.301 -0.380 CO -0.7767921E+01 0.2544542E+04-0.1146851E-03-0.2461906E+05 0.1843518E+01 COS 4 -1.000 2 1.000 3 1.000 4 COS 5.314 4.232 3.317 2.718 2.297 1.984 1.743 1.552 B689 COS 1.397 1.268 1.161 1.070 0.992 COS 0.4821159E+00 0.1616650E+04 0.8104396E-04-0.5714799E+04-0.2223597E+00 SO2 4 -3.000 1 2.000 2 1.000 4 SO2 33.379 26.044 19.813 15.705 12.784 10.594 8.888 7.521 B672 SO2 6.399 5.461 4.665 3.982 3.388 SO2 0.1027497E+02 0.1018102E+05 0.5087335E-03 0.1531703E+05-0.4593873E+01 S2 3 -2.000 1 2.000 4 S2 25.669 19.666 14.571 11.219 8.841 7.063 5.682 4.579 B672 S2 3.676 2.924 2.289 1.744 1.273 S2 0.4741110E+01 0.8512289E+04 0.4509498E-03-0.1517626E+04-0.3127909E+01