! ! SIX-CHARACTER REFERENCE-DATE CODES ! ! ! Letters Reference Numbers ! __________________________________________________________________ ! ! g Glenn Research Center Month/year calculated ! ! j NIST-JANAF Thermochemical Month/year of table ! Tables. Chase,1998 ! ! tpis Thermodynamic Properties of Year of volume ! Individual Substances. Gurvich, ! 1978,1979,1982,1989,1991,1996 ! ! n TRC Thermodynamic Tables, NIST Month/year of table ! ! bar Barin:Thermochemical Data of Year of volume ! Pure Substances. Barin,1989 ! ! coda CODATA Key Values for Year of volume ! Thermodynamics. Cox,1989 ! ! srd Standard Reference Data Year of J.Phys.Chem.Ref. ! Data journal ! ! ! ! ORDER OF SPECIES ! ! ! 1) Gaseous products/reactants ! ! 2) Condensed products/reactants ! ! 3) Gaseous/condensed reactants only (starts with "Air") ! ! ! thermo 200.00 1000.00 6000.00 20000. 10/22/02 e- Ref-Species. Chase,1998 3/82. 3 g12/98 E 1.00 0.00 0.00 0.00 0.00 0.000548579903 0.000 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01 Ag Hf:Cox,1989. Moore,1971. Gordon,1999. 3 g10/97 AG 1.00 0.00 0.00 0.00 0.00 0 107.8682000 284900.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 3.352002370D+04 6.562819350D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -3.309926370D+05 9.820086420D+02 1.381179917D+00 6.170899990D-04-1.688114600D-07 2.008826848D-11-5.627285655D-16 2.726719171D+04 1.456862733D+01 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -3.717441500D+08 2.758069172D+05-7.385982610D+01 9.606158720D-03-5.393935740D-07 1.358856730D-11-1.272610104D-16 -2.107724971D+06 6.628374570D+02 Ag+ Moore,1971. Gordon,1999. 3 g10/97 AG 1.00E -1.00 0.00 0.00 0.00 0 107.8676514 1022093.730 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.530 3.691132750D+06-4.316983000D+04 2.028445385D+02-4.658413740D-01 5.586200510D-04 -3.154880975D-07 6.578702060D-11 3.371574470D+05-1.142924427D+03 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.530 -5.327432350D+07 1.310710631D+05-1.098820208D+02 4.826002760D-02-1.093661557D-05 1.263835910D-09-5.852542535D-14 -7.439122510D+05 8.446266190D+02 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.530 -2.119469170D+08 1.159621936D+05-2.220792532D+01 2.938747589D-03-1.822389545D-07 5.823925360D-12-7.455184012D-17 -8.068014150D+05 2.271702823D+02 Ag- Hotop,1985. Gordon,1999. 3 g10/97 AG 1.00E 1.00 0.00 0.00 0.00 0 107.8687486 153078.728 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 1.766565919D+04 5.869679800D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 1.766565919D+04 5.869679800D+00 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 1.766565919D+04 5.869679800D+00 AL Hf:Cox,1989. Kaufman,1991b. Gordon,1999. 3 g12/97 AL 1.00 0.00 0.00 0.00 0.00 0 26.9815380 330000.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6918.671 5.006608890D+03 1.861304407D+01 2.412531111D+00 1.987604647D-04-2.432362152D-07 1.538281506D-10-3.944375734D-14 3.887412680D+04 6.086585765D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6918.671 -2.920820938D+04 1.167751876D+02 2.356906505D+00 7.737231520D-05-1.529455262D-08 -9.971670260D-13 5.053278264D-16 3.823288650D+04 6.600920155D+00 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6918.671 -5.040682320D+08 3.802322650D+05-1.082347159D+02 1.549444292D-02-1.070103856D-06 3.592110900D-11-4.696039394D-16 -2.901050501D+06 9.491883160D+02 AL+ Kaufman,1991b. Moore,1971. Gordon,1999. 3 g 1/98 AL 1.00E -1.00 0.00 0.00 0.00 0 26.9809894 913015.128 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 1.090644788D+05 3.791005780D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -4.181183250D+03-9.948557270D+00 2.548615878D+00-5.878760040D-05 3.132291294D-08 -7.748894630D-12 7.274447690D-16 1.091011485D+05 3.488667290D+00 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -9.080958540D+08 5.509673040D+05-1.279244177D+02 1.510503026D-02-8.932051950D-07 2.719381070D-11-3.367986284D-16 -4.268693020D+06 1.141245444D+03 AL- Chase,1998 p65 6/83. EA:Hotop,1985. Gordon,1999. 3 g 3/97 AL 1.00E 1.00 0.00 0.00 0.00 0 26.9820866 281090.113 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6756.213 2.910801723D+04-3.836983750D+02 4.655142800D+00-6.045821840D-03 8.577259640D-06 -5.476260000D-09 1.322714061D-12 3.490616980D+04-5.957097700D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6756.213 6.339814320D+05-2.383438463D+03 5.469971130D+00-1.299840355D-03 2.888305470D-07 -3.253240510D-11 1.472436088D-15 4.780306540D+04-1.536906816D+01 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6756.213 5.901212850D+06-2.296000877D+03 3.072774844D+00-6.894714790D-05 4.413313240D-09 -1.445353715D-13 1.905752608D-18 5.241871250D+04 1.451781383D+00 ALBr Gurvich,1996a pt1 p184 pt2 p148. 2 tpis96 AL 1.00BR 1.00 0.00 0.00 0.00 0 106.8855380 14325.015 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9571.115 8.176158640D+03-2.516942718D+02 5.403296330D+00-1.747212920D-03 2.077304770D-06 -1.261267579D-09 3.166335970D-13 1.635024429D+03-2.323594886D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9571.115 -6.103395600D+05 2.010066834D+03 1.769617961D+00 1.929888914D-03-6.641047830D-07 1.172854627D-10-7.178742760D-15 -1.217812867D+04 2.204450764D+01 ALBr2 Gurvich,1996a pt1 p186 pt2 p149. 2 tpis96 AL 1.00BR 2.00 0.00 0.00 0.00 0 186.7895380 -140662.125 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13397.875 3.199375870D+04-7.119178970D+02 9.478258110D+00-4.875531670D-03 5.516512990D-06 -3.340053040D-09 8.368476840D-13 -1.540591306D+04-1.742171366D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13397.875 -3.523782900D+05 4.671544170D+02 7.111908190D+00-5.551709200D-04 3.166301130D-07 -5.521028330D-11 3.176725950D-15 -2.265004078D+04-2.695610360D+00 ALBr3 Gurvich,1996a pt1 p188 pt2 p151. 2 tpis96 AL 1.00BR 3.00 0.00 0.00 0.00 0 266.6935380 -410476.664 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17943.336 4.718948840D+04-1.053853163D+03 1.350747168D+01-6.639869930D-03 7.269276830D-06 -4.278049490D-09 1.045573281D-12 -4.699440330D+04-3.667936780D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17943.336 -8.935527440D+04-2.678035134D+01 1.002063997D+01-8.458764400D-06 1.904243317D-09 -2.215195785D-13 1.038219389D-17 -5.249247640D+04-1.579666403D+01 ALC Gurvich,1996a pt1 p205 pt2 p165. 2 tpis96 AL 1.00C 1.00 0.00 0.00 0.00 0 38.9922380 682283.509 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9058.109 4.139921880D+04-5.858677890D+02 5.962445720D+00-2.006064322D-03 1.665566136D-06 -7.121649210D-10 1.271188744D-13 8.383436110D+04-8.002165050D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9058.109 1.937001487D+06-6.749117790D+03 1.347525643D+01-5.850802650D-03 1.926461091D-06 -2.585922351D-10 1.222659806D-14 1.225363649D+05-6.152244872D+01 ALC2 Gurvich,1996a pt1 p206 pt2 p166. 2 tpis96 AL 1.00C 2.00 0.00 0.00 0.00 0 51.0029380 675615.776 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12262.776 1.524087465D+04-2.649987059D+02 6.280414900D+00-1.786037647D-04 3.791907740D-06 -3.999450070D-09 1.299752388D-12 8.092763280D+04-6.247291862D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12262.776 1.466017895D+05-1.362764489D+03 8.457759150D+00-3.678901680D-04 7.903174500D-08 -8.880023720D-12 4.053633950D-16 8.705924230D+04-2.127956728D+01 ALCL Gurvich,1996a pt1 p168 pt2 p131. 2 tpis96 AL 1.00CL 1.00 0.00 0.00 0.00 0 62.4345380 -51007.443 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9323.112 2.380881392D+04-4.457159420D+02 5.992853990D+00-2.777300261D-03 3.101582418D-06 -1.815268376D-09 4.414662340D-13 -5.202736030D+03-7.383298016D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9323.112 -8.993461220D+05 2.765942061D+03 1.003500696D+00 2.267806833D-03-7.280541600D-07 1.182380673D-10-6.660498130D-15 -2.496164448D+04 2.616925480D+01 ALCL+ Chase,1998 p73. 2 j 6/76 AL 1.00CL 1.00E -1.00 0.00 0.00 0 62.4339894 861849.307 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9154.435 3.469955220D+04-5.479900030D+02 6.106011130D+00-2.674711519D-03 2.696426573D-06 -1.463885068D-09 3.358729060D-13 1.051719510D+05-7.816586372D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9154.435 -7.547240820D+05 1.251545253D+03 4.442424910D+00-9.786116430D-04 6.347511330D-07 -1.158320344D-10 6.870022460D-15 9.318332700D+04 4.047521108D+00 ALCL2 Gurvich,1996a pt1 p171 pt2 p132. 2 tpis96 AL 1.00CL 2.00 0.00 0.00 0.00 0 97.8875380 -240874.252 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12846.859 5.340545950D+04-9.678057980D+02 1.006252671D+01-5.539528450D-03 5.823420560D-06 -3.306542450D-09 7.831562100D-13 -2.607627110D+04-2.393364216D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12846.859 4.303453060D+05-1.552370585D+03 8.760657420D+00-9.467450060D-04 2.401844880D-07 -2.427836709D-11 8.390123470D-16 -2.145884709D+04-1.803641668D+01 ALCL3 Gurvich,1996a pt1 p173 pt2 p134. 2 tpis96 AL 1.00CL 3.00 0.00 0.00 0.00 0 133.3405380 -584678.863 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16400.803 7.750600970D+04-1.440779717D+03 1.401744141D+01-6.381631240D-03 5.871674720D-06 -2.908872278D-09 5.994050890D-13 -6.579343180D+04-4.494017799D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16400.803 -1.378630916D+05-5.579207290D+01 1.004190387D+01-1.682165339D-05 3.724664660D-09 -4.275526780D-13 1.982341329D-17 -7.343407470D+04-2.045130429D+01 ALF Gurvich,1996a pt1 p151 pt2 p116. 2 tpis96 AL 1.00F 1.00 0.00 0.00 0.00 0 45.9799412 -264060.446 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8892.107 3.020771686D+04-3.080986949D+02 3.886413140D+00 3.564343690D-03-5.858471280D-06 4.388109920D-09-1.256906273D-12 -3.117572862D+04 2.032567172D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8892.107 -7.111229050D+05 1.903013316D+03 2.191607179D+00 1.421471467D-03-4.179634770D-07 6.153804400D-11-2.945403999D-15 -4.540728960D+04 1.613163743D+01 ALF+ Chase,1998 p92. 2 j 6/76 AL 1.00F 1.00E -1.00 0.00 0.00 0 45.9793926 692233.561 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8812.687 3.643038120D+04-2.524634478D+02 3.105310486D+00 5.733270430D-03-8.839786990D-06 6.343579590D-09-1.645011685D-12 8.370237450D+04 6.764015580D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8812.687 1.505101126D+06-2.236668821D+03 3.098216724D+00 3.115413930D-03-1.168427068D-06 1.773587168D-10-9.665841380D-15 9.885083850D+04 5.991894590D+00 ALFCL Gurvich,1996a pt1 p182 pt2 p144. 2 tpis96 AL 1.00F 1.00CL 1.00 0.00 0.00 0 81.4329412 -436409.913 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12133.195 4.104779480D+04-5.769646420D+02 6.562642700D+00 4.106285840D-03-7.213921120D-06 5.486401450D-09-1.580656193D-12 -5.114828700D+04-6.041227053D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12133.195 6.970636350D+04-6.224485910D+02 7.573475410D+00-2.236155999D-04 2.382317949D-08 4.443785760D-12-5.486977850D-16 -5.100943200D+04-1.091164505D+01 ALFCL2 Gurvich,1996a pt1 p183 pt2 p146. 2 tpis96 AL 1.00F 1.00CL 2.00 0.00 0.00 0 116.8859412 -791395.404 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15738.260 6.955607340D+04-1.188857902D+03 1.156672590D+01 4.574959490D-04-3.407372830D-06 3.356822540D-09-1.085329228D-12 -9.162049260D+04-3.206065081D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15738.260 -1.720360526D+05-1.193340759D+02 1.008894431D+01-3.550993810D-05 7.830952610D-09 -8.961734230D-13 4.145330260D-17 -9.804185470D+04-2.127046859D+01 ALF2 Gurvich,1996a pt1 p153 pt2 p117. 2 tpis96 AL 1.00F 2.00 0.00 0.00 0.00 0 64.9783444 -631764.175 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11600.932 2.994951991D+04-2.194199915D+02 3.416748760D+00 1.272953936D-02-1.883312206D-05 1.330702256D-08-3.680118630D-12 -7.607537650D+04 8.759626916D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11600.932 -2.146896245D+05 3.096840150D+01 6.816399620D+00 1.820129379D-04-7.793677440D-08 1.472534201D-11-8.803695300D-16 -7.884002680D+04-7.915370474D+00 ALF2- Gurvich,1996a pt1 p154 pt2 p118. 2 tpis96 AL 1.00F 2.00E 1.00 0.00 0.00 0 64.9788930 -853230.685 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11331.815 1.233369037D+05-1.348195504D+03 8.611178050D+00 2.245141297D-04-2.424673201D-06 2.214132430D-09-6.602713960D-13 -9.708437460D+04-2.192617549D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11331.815 -1.590076965D+05-2.060486516D+02 7.155289380D+00-6.260167690D-05 1.391935746D-08 -1.603901265D-12 7.461508520D-17 -1.040479429D+05-1.122696648D+01 ALF2CL Gurvich,1996a pt1 p182 pt2 p145. 2 tpis96 AL 1.00F 2.00CL 1.00 0.00 0.00 0 100.4313444 -999128.145 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14827.517 5.677412090D+04-8.869829470D+02 8.752746550D+00 8.195791200D-03-1.380480934D-05 1.032703706D-08-2.948968416D-12 -1.177936778D+05-1.858347360D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14827.517 -2.115422988D+05-1.959188681D+02 1.014576850D+01-5.813219350D-05 1.281071982D-08 -1.465366277D-12 6.776002450D-17 -1.227153110D+05-2.359853398D+01 ALF3 Gurvich,1996a pt1 p157 pt2 p120. 2 tpis96 AL 1.00F 3.00 0.00 0.00 0.00 0 83.9767476 -1209276.938 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14043.722 4.410263520D+04-5.667495740D+02 5.833072850D+00 1.603535069D-02-2.413263602D-05 1.714106160D-08-4.747543200D-12 -1.443349991D+05-5.461613658D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14043.722 -2.493972160D+05-2.911202519D+02 1.021662932D+01-8.642985970D-05 1.905713108D-08 -2.181058411D-12 1.009055287D-16 -1.475694276D+05-2.703983244D+01 ALF4- Gurvich,1996a pt1 p159 pt2 p121. 2 tpis96 AL 1.00F 4.00E 1.00 0.00 0.00 0 102.9756994 -1951600.806 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16786.835 2.312010037D+05-3.235376780D+03 2.017865547D+01-9.108193500D-03 6.679552630D-06 -2.606075106D-09 4.110060510D-13 -2.211784563D+05-8.677268282D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16786.835 -3.217411610D+05-2.612097043D+02 1.319792654D+01-8.010135410D-05 1.786204421D-08 -2.062751964D-12 9.612581770D-17 -2.381577915D+05-4.231634322D+01 ALH Gurvich,1996a pt1 p139 pt2 p106. 2 tpis96 AL 1.00H 1.00 0.00 0.00 0.00 0 27.9894780 249250.804 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8668.104 -3.759114030D+04 5.089002230D+02 1.128086896D+00 3.988660910D-03-2.150790303D-07 -2.176790819D-09 1.020805902D-12 2.644431827D+04 1.650021856D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8668.104 6.802018430D+06-2.178416933D+04 3.032713047D+01-1.503343597D-02 4.492142360D-06 -6.178450370D-10 3.115205260D-14 1.658301221D+05-1.876766425D+02 ALHCL Gurvich,1996a pt1 p178 pt2 p138. 2 tpis96 AL 1.00H 1.00CL 1.00 0.00 0.00 0 63.4424780 10521.966 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10886.572 3.587169760D+04-5.916249990D+02 6.944542380D+00-2.511543148D-03 6.471332550D-06 -5.642277140D-09 1.715950436D-12 2.750930479D+03-9.903745880D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10886.572 -1.683915330D+05-8.862301790D+02 8.062379400D+00-9.200551470D-04 3.949817220D-07 -6.401086760D-11 3.578354100D-15 3.641504850D+03-1.800686894D+01 ALHCL2 Gurvich,1996a pt1 p179 pt2 p140. 2 tpis96 AL 1.00H 1.00CL 2.00 0.00 0.00 0 98.8954780 -351278.965 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13676.196 1.184828615D+05-2.054157118D+03 1.574696513D+01-1.476257296D-02 2.065336978D-05 -1.420198850D-08 3.826279860D-12 -3.434277460D+04-5.761184061D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13676.196 9.608063940D+04-1.485540161D+03 1.103592709D+01-3.956955200D-04 8.465843730D-08 -9.483336520D-12 4.319033530D-16 -3.669216390D+04-3.236862171D+01 ALHF Gurvich,1996a pt1 p164 pt2 p125. 2 tpis96 AL 1.00H 1.00F 1.00 0.00 0.00 0 46.9878812 -182614.484 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10572.121 -9.289545100D+03 1.335515868D+02 2.772448680D+00 6.751415030D-03-4.133846140D-06 5.865704070D-10 2.276158011D-13 -2.384685845D+04 1.228752581D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10572.121 7.342169250D+05-3.462164130D+03 1.039714588D+01-1.750737965D-03 4.615687860D-07 -5.390414740D-11 2.340478515D-15 -2.965279722D+03-3.713172313D+01 ALHFCL Gurvich,1996a pt1 p184 pt2 p147. 2 tpis96 AL 1.00H 1.00F 1.00CL 1.00 0.00 0 82.4408812 -555244.524 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12532.636 1.290373237D+05-2.142099873D+03 1.485434420D+01-1.140326930D-02 1.564521768D-05 -1.067574855D-08 2.857255247D-12 -5.818303070D+04-5.483424986D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12532.636 4.068987130D+04-1.502129854D+03 1.105214126D+01-4.031587730D-04 8.645252220D-08 -9.700659520D-12 4.423629510D-16 -6.129888110D+04-3.403564016D+01 ALHF2 Gurvich,1996a pt1 p166 pt2 p127. 2 tpis96 AL 1.00H 1.00F 2.00 0.00 0.00 0 65.9862844 -765299.182 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12299.975 1.050181431D+05-1.398654202D+03 9.166334840D+00 3.867286870D-03-4.830841090D-06 3.099287181D-09-8.440702990D-13 -8.659048800D+04-2.557299683D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12299.975 -4.419947300D+03-1.612826324D+03 1.113336052D+01-4.351812660D-04 9.344396160D-08 -1.049431425D-11 4.788333980D-16 -8.606916190D+04-3.676383785D+01 ALH2 Gurvich,1996a pt1 p142 pt2 p107. 2 tpis96 AL 1.00H 2.00 0.00 0.00 0.00 0 28.9974180 276774.934 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10090.834 1.455182996D+04-2.153768996D+02 5.144370230D+00-3.965222030D-03 1.340900203D-05 -1.216744854D-08 3.743107130D-12 3.311037940D+04-3.608799711D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10090.834 1.432910601D+05-2.365907684D+03 9.085667190D+00-1.308536612D-03 4.777191360D-07 -7.324721890D-11 3.997900940D-15 4.485951850D+04-3.220814285D+01 ALH2CL Gurvich,1996a pt1 p179 pt2 p139. 2 tpis96 AL 1.00H 2.00CL 1.00 0.00 0.00 0 64.4504180 -106345.406 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11253.251 9.303828980D+04-1.328188016D+03 9.424763590D+00-3.277660590D-03 1.004231609D-05 -8.948123090D-09 2.708031665D-12 -7.647437930D+03-2.682512215D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11253.251 3.166929930D+05-3.094037914D+03 1.215872020D+01-8.248269590D-04 1.765027123D-07 -1.977372723D-11 9.006176280D-16 2.411845642D+03-4.718390855D+01 ALH2F Gurvich,1996a pt1 p165 pt2 p126. 2 tpis96 AL 1.00H 2.00F 1.00 0.00 0.00 0 47.9958212 -316655.854 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10764.801 8.906039290D+04-9.750803930D+02 5.870772320D+00 6.896663690D-03-4.045817280D-06 7.219318660D-10 7.329846740D-14 -3.425302600D+04-9.387539141D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10764.801 2.711514962D+05-3.169623480D+03 1.221401118D+01-8.465600260D-04 1.812341995D-07 -2.030947985D-11 9.251825820D-16 -2.259217746D+04-4.941337333D+01 ALH3 Gurvich,1996a pt1 p145 pt2 p109. 2 tpis96 AL 1.00H 3.00 0.00 0.00 0.00 0 30.0053580 128896.080 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10410.580 1.481207909D+04-2.836495340D+01 2.507597126D+00 7.315920510D-03 2.331766687D-06 -6.389209890D-09 2.456885069D-12 1.463189428D+04 8.313187700D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10410.580 5.885458550D+05-4.595785660D+03 1.320893344D+01-1.226849004D-03 2.626580824D-07 -2.943725869D-11 1.341177648D-15 3.991716950D+04-6.181829295D+01 ALI Gurvich,1996a pt1 p191 pt2 p153. 2 tpis96 AL 1.00I 1.00 0.00 0.00 0.00 0 153.8860080 67395.017 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9751.117 1.870854131D+03-1.543184003D+02 5.074391880D+00-1.120584830D-03 1.386302156D-06 -8.540782280D-10 2.180358492D-13 7.517443690D+03 6.688267622D-01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9751.117 4.752817920D+05-1.198028588D+03 5.433685360D+00-1.004479306D-04-1.005928846D-07 4.568173190D-11-3.960201360D-15 1.464627816D+04-3.141199746D+00 ALI2 Gurvich,1996a pt1 p193 pt2 p154. 2 tpis96 AL 1.00I 2.00 0.00 0.00 0.00 0 280.7904780 -33812.954 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13923.046 1.423413595D+04-4.646575690D+02 8.722674910D+00-3.560519290D-03 4.188682290D-06 -2.616026962D-09 6.720195510D-13 -3.846133330D+03-1.073076578D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13923.046 -3.355999020D+05 4.743347940D+02 7.106501390D+00-5.529965340D-04 3.161480314D-07 -5.515489160D-11 3.174155820D-15 -9.785488850D+03-5.602275944D-01 ALI3 Gurvich,1996a pt1 p195 pt2 p156. 2 tpis96 AL 1.00I 3.00 0.00 0.00 0.00 0 407.6949480 -191330.433 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19003.567 2.706032439D+04-7.559936810D+02 1.271396349D+01-5.466884090D-03 6.297618920D-06 -3.864209610D-09 9.774132440D-13 -2.220966921D+04-2.847883861D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19003.567 -6.357427470D+04-1.578772280D+01 1.001249733D+01-5.228673120D-06 1.196173520D-09 -1.409194490D-13 6.671276390D-18 -2.611455525D+04-1.247999813D+01 ALN Gurvich,1996a pt1 p204 pt2 p164. 2 tpis96 AL 1.00N 1.00 0.00 0.00 0.00 0 40.9882380 438829.011 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9265.111 2.716645079D+04-2.543491110D+02 3.538987720D+00 5.296256160D-03-9.845700610D-06 8.452209040D-09-2.592304568D-12 5.309994910D+04 5.399435220D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9265.111 3.821214220D+06-1.067776595D+04 1.449174222D+01-3.727227130D-03 7.922770960D-07 -8.086892210D-11 2.893539736D-15 1.205236340D+05-7.288585119D+01 ALO Gurvich,1996a pt1 p122 pt2 p96. 3 tpis96 AL 1.00O 1.00 0.00 0.00 0.00 0 42.9809380 67319.006 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8788.106 -7.683391100D+03 2.957969549D+02 4.808108440D-01 1.169224855D-02-1.595428871D-05 1.060766814D-08-2.647888708D-12 5.843672170D+03 2.160997839D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8788.106 1.565721161D+04 3.855741010D+03-5.926079780D+00 9.050960420D-03-2.930661549D-06 4.238529070D-10-2.280655341D-14 -1.331694655D+04 6.830663436D+01 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8788.106 4.165661210D+07-3.768608760D+04 1.547867956D+01-9.568730340D-04 2.493109541D-08 6.688940290D-14-8.998673700D-18 2.957786517D+05-9.427715804D+01 ALO+ Chase,1998 p133. 2 j12/79 AL 1.00O 1.00E -1.00 0.00 0.00 0 42.9803894 992993.000 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9089.716 2.829178513D+04-4.179087100D+02 5.313299870D+00-1.410883046D-03 2.526524021D-06 -2.005474816D-09 5.762553550D-13 1.203648109D+05-3.410565930D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9089.716 2.710846446D+04-6.998653420D+02 5.787815840D+00-6.871895460D-04 2.075047303D-07 -2.655281004D-11 1.283129660D-15 1.218682226D+05-7.051035880D+00 ALO- Gurvich,1996a pt1 p125 pt2 p98. 2 g11/97 AL 1.00O 1.00E 1.00 0.00 0.00 0 42.9814866 -272921.782 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8744.718 2.078075267D+04 2.859351226D+00 1.901912370D+00 7.301045660D-03-9.139769870D-06 5.652983190D-09-1.396787103D-12 -3.359267730D+04 1.296339858D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8744.718 -6.971948290D+04-2.320553036D+02 4.672784330D+00-4.266447040D-05 1.632506336D-08 -1.727134051D-12 8.136840640D-17 -3.307718930D+04-2.155922595D+00 ALOCL Gurvich,1996a pt1 p176 pt2 p136. 2 tpis96 AL 1.00O 1.00CL 1.00 0.00 0.00 0 78.4339380 -301564.570 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11906.037 -5.144627790D+03-5.886297070D+01 4.452316930D+00 9.288235090D-03-1.246894823D-05 8.178073540D-09-2.130739934D-12 -3.759683650D+04 2.476862818D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11906.037 -1.258027706D+05-2.420565961D+02 7.681130020D+00-7.268741700D-05 1.611337534D-08 1.852889749D-12 8.607278220D-17 -3.754326050D+04-1.475818320D+01 ALOCL2 Gurvich,1996a pt1 p178 pt2 p137. 2 tpis96 AL 1.00O 1.00CL 2.00 0.00 0.00 0 113.8869380 -402308.669 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15752.494 6.902637130D+04-1.189297500D+03 1.161842739D+01 2.818279805D-04-3.145010615D-06 3.168380650D-09-1.032375462D-12 -4.483323070D+04-3.165475132D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15752.494 -1.707713922D+05-1.180013804D+02 1.008798517D+01-3.513858040D-05 7.751187030D-09 -8.872470600D-13 4.104815440D-17 -5.124944140D+04-2.059252960D+01 ALOF Gurvich,1996a pt1 p163 pt2 p123. 2 tpis96 AL 1.00O 1.00F 1.00 0.00 0.00 0 61.9793412 -572289.603 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11003.003 7.030578360D+03-1.154575430D+02 3.378823590D+00 1.283929158D-02-1.749748388D-05 1.162605473D-08-3.064218613D-12 -6.959381700D+04 5.994804586D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11003.003 -1.641020297D+05-3.277770290D+02 7.744519740D+00-9.788649440D-05 2.165743208D-08 -2.486541919D-12 1.153633944D-16 -6.974085090D+04-1.717253748D+01 ALOF2 Gurvich,1996a pt1 p164 pt2 p124. 2 tpis96 AL 1.00O 1.00F 2.00 0.00 0.00 0 80.9777444 -773649.771 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14055.387 4.756085290D+04-6.124318360D+02 6.050223660D+00 1.559291479D-02-2.366136797D-05 1.688366194D-08-4.690583100D-12 -9.171827490D+04-4.956258224D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14055.387 -2.496681413D+05-2.837821503D+02 1.021108125D+01-8.418303430D-05 1.855520828D-08 -2.122974022D-12 9.819319100D-17 -9.521804190D+04-2.522534812D+01 ALOF2- Chase,1998 p98 6/76. 2 g 2/01 AL 1.00O 1.00F 2.00E 1.00 0.00 0 80.9782930 -972289.619 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14076.981 1.540605112D+05-1.928054597D+03 1.255806423D+01-4.904035370D-04-2.341783347D-06 2.415138600D-09-7.471809250D-13 -1.091430174D+05-4.265821750D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14076.981 -2.389881459D+05-2.880143725D+02 1.021700240D+01-8.747062000D-05 1.944846334D-08 -2.241045051D-12 1.042591053D-16 -1.190576566D+05-2.600779629D+01 ALOH Gurvich,1996a pt1 p146 pt2 p110. 2 tpis96 AL 1.00O 1.00H 1.00 0.00 0.00 0 43.9888780 -192762.171 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10351.931 5.876493180D+04-9.449422690D+02 7.820599180D+00 5.858888470D-04-4.083666810D-06 4.587229340D-09-1.563936726D-12 -1.993283011D+04-2.065043885D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10351.931 7.882068110D+05-2.263671626D+03 7.823954880D+00 1.821171456D-04-8.263729320D-08 1.265414876D-11-6.875972530D-16 -1.039808093D+04-2.209032458D+01 ALOHCL Gurvich,1996a pt1 p180 pt2 p141. 2 tpis96 AL 1.00O 1.00H 1.00CL 1.00 0.00 0 79.4418780 -373785.740 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13918.918 1.636360341D+04-1.915959416D+02 4.711170470D+00 1.388068475D-02-1.999018454D-05 1.439647350D-08-4.033330450D-12 -4.568083720D+04 4.644207506D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13918.918 7.967115510D+05-2.843470502D+03 1.095559970D+01-1.099328162D-04-1.344506283D-08 4.415893770D-12-2.973546112D-16 -2.969861461D+04-3.296113996D+01 ALOHCL2 Gurvich,1996a pt1 p181 pt2 p143. 2 tpis96 AL 1.00O 1.00H 1.00CL 2.00 0.00 0 114.8948780 -725145.408 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17149.806 3.971929860D+04-7.751554960D+02 9.494051530D+00 1.074401359D-02-1.676464791D-05 1.259706368D-08-3.613177980D-12 -8.584796930D+04-1.993481642D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17149.806 7.385929760D+05-2.863204228D+03 1.397062327D+01-1.160311527D-04-1.208248796D-08 4.258327630D-12-2.900049181D-16 -7.293048000D+04-4.681834857D+01 ALOHF Gurvich,1996a pt1 p166 pt2 p128. 2 tpis96 AL 1.00O 1.00H 1.00F 1.00 0.00 0 62.9872812 -574211.575 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13315.081 -1.556003336D+03 2.886581999D+02 7.703793290D-01 2.450406329D-02-3.417811010D-05 2.388932902D-08-6.570480510D-12 -7.177222560D+04 2.453071801D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13315.081 7.557113130D+05-2.936702803D+03 1.102455104D+01-1.373078030D-04-7.432816160D-09 3.729981220D-12-2.657027781D-16 -5.340130900D+04-3.527397302D+01 ALOHF2 Gurvich,1996a pt1 p168 pt2 p130. 2 tpis96 AL 1.00O 1.00H 1.00F 2.00 0.00 0 81.9856844 -1141510.711 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15428.498 1.738263538D+04-1.307687299D+02 3.312381920D+00 2.784734099D-02-3.982363210D-05 2.809344456D-08-7.764574200D-12 -1.384133568D+05 1.004739945D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15428.498 6.530119920D+05-3.034017232D+03 1.409719788D+01-1.663681799D-04-1.011564183D-09 2.993805003D-12-2.315956955D-16 -1.223052213D+05-5.151210690D+01 ALO2 Gurvich,1996a pt1 p126 pt2 p99. 2 tpis96 AL 1.00O 2.00 0.00 0.00 0.00 0 58.9803380 -38657.871 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13361.629 4.338480450D+04-4.735292260D+02 6.001717670D+00 7.094420880D-03-1.129107996D-05 8.252691680D-09-2.327652976D-12 -3.826145800D+03-4.830022480D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13361.629 1.187216642D+05-8.335625400D+02 8.309301190D+00-3.538667220D-04 5.967069460D-08 4.014897700D-14-3.515702520D-16 -2.033107586D+03-1.715063884D+01 ALO2- Gurvich,1996a pt1 p128 pt2 p100. 2 tpis96 AL 1.00O 2.00E 1.00 0.00 0.00 0 58.9808866 -452572.223 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10644.677 1.178678641D+05-1.507186304D+03 9.524749750D+00-5.207989020D-04-1.586902345D-06 1.700455028D-09-5.301419770D-13 -4.825469270D+04-3.081215859D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10644.677 -1.872410758D+05-2.338853263D+02 7.676070020D+00-7.093570300D-05 1.576717569D-08 -1.816494162D-12 8.449707960D-17 -5.594640560D+04-1.773751567D+01 AL(OH)2 Gurvich,1996a pt1 p149 pt2 p113. 2 tpis96 AL 1.00O 2.00H 2.00 0.00 0.00 0 60.9962180 -507660.670 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14027.535 4.397316910D+03 1.327680339D+02 1.093947024D+00 3.054059173D-02-4.375943350D-05 3.174617430D-08-9.004259400D-12 -6.315437390D+04 2.101977655D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14027.535 1.669643735D+06-5.924738280D+03 1.549480264D+01-5.383488080D-04 5.413044530D-08 -1.196022328D-12-1.082001733D-16 -2.697525061D+04-6.617911543D+01 AL(OH)2CL Gurvich,1996a pt1 p181 pt2 p142. 2 tpis96 AL 1.00O 2.00H 2.00CL 1.00 0.00 0 96.4492180 -859056.724 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17222.037 2.477879709D+04-4.454577210D+02 5.928470200D+00 2.730162734D-02-4.041405370D-05 2.974210410D-08-8.477150600D-12 -1.033778030D+05-3.679940779D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17222.037 1.603911487D+06-5.767232240D+03 1.817772266D+01-3.691816150D-04 1.137918702D-08 4.083079400D-12-3.641323430D-16 -7.118699850D+04-7.757541774D+01 AL(OH)2F Gurvich,1996a pt1 p167 pt2 p129. 2 tpis96 AL 1.00O 2.00H 2.00F 1.00 0.00 0 79.9946212 -1069628.708 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16472.051 2.132812662D+04-1.932900224D+02 3.069174664D+00 3.555017330D-02-5.181158330D-05 3.753520280D-08-1.059220701D-11 -1.295797992D+05 1.001897011D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16472.051 1.559238236D+06-5.841273030D+03 1.823229919D+01-3.907805420D-04 1.610928938D-08 3.544784060D-12-3.393453880D-16 -9.623100890D+04-7.971351802D+01 AL(OH)3 Gurvich,1996a pt1 p150 pt2 p115. 2 tpis96 AL 1.00O 3.00H 3.00 0.00 0.00 0 78.0035580 -1012667.542 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17594.767 -1.402475452D+04 3.696073460D+02-2.979600650D-01 4.929859350D-02-6.981572280D-05 5.014801700D-08-1.412480165D-11 -1.255260760D+05 2.711490074D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17594.767 2.477063616D+06-8.968617250D+03 2.280320998D+01-8.320292250D-04 8.663494430D-08 -2.420287082D-12-1.331746442D-16 -7.015278640D+04-1.121899198D+02 ALS Gurvich,1996a pt1 p197 pt2 p158. 2 tpis96 AL 1.00S 1.00 0.00 0.00 0.00 0 59.0465380 232682.009 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9088.109 2.611742801D+04-3.470673890D+02 4.436204590D+00 3.340168210D-03-8.410199670D-06 8.508185110D-09-2.780868507D-12 2.863779062D+04 7.522705491D-01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9088.109 8.909844290D+06-2.507677454D+04 2.893456134D+01-9.839766820D-03 2.045319809D-06 -2.087970890D-10 8.152792520D-15 1.885761615D+05-1.786036457D+02 ALS2 Gurvich,1996a pt1 p198 pt2 p159. 2 tpis96 AL 1.00S 2.00 0.00 0.00 0.00 0 91.1115380 248535.279 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14428.779 4.252335410D+04-7.764603300D+02 9.801068960D+00-3.910680090D-03 3.875695970D-06 -2.082025593D-09 4.682935890D-13 3.167961540D+04-2.178097896D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14428.779 -6.852563540D+04-2.671667739D+01 7.520193860D+00-8.148565100D-06 1.811865152D-09 -2.086958125D-13 9.703246380D-18 2.758362737D+04-7.873490263D+00 AL2 Gurvich,1996a pt1 p118 pt2 p95. 2 tpis96 AL 2.00 0.00 0.00 0.00 0.00 0 53.9630760 501301.722 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10139.122 -5.281509650D+03-1.727374523D+01 4.604077010D+00-2.616467770D-04 6.302319970D-07 -3.290938590D-10 8.888365140D-14 5.900706390D+04 3.060188921D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10139.122 -2.320724102D+06 9.218707890D+03-9.446951870D+00 9.999920010D-03-3.154798085D-06 4.361544810D-10-2.241157240D-14 2.904589544D+03 9.960320745D+01 AL2Br6 Gurvich,1996a pt1 p190 pt2 p152. 2 tpis96 AL 2.00BR 6.00 0.00 0.00 0.00 0 533.3870760 -942422.811 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38217.189 6.483319700D+04-1.947687811D+03 2.886989822D+01-1.365825785D-02 1.557883731D-05 -9.486942000D-09 2.385519396D-12 -1.101526833D+05-1.025934782D+02 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38217.189 -1.731829490D+05-4.342299780D+01 2.203414210D+01-1.421187503D-05 3.238631340D-09 -3.803879760D-13 1.796525455D-17 -1.202338355D+05-6.201054950D+01 AL2C2 Gurvich,1996a pt1 p206 pt2 p167. 2 tpis96 AL 2.00C 2.00 0.00 0.00 0.00 0 77.9844760 544978.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16165.001 1.110987147D+04-3.502434230D+02 8.598856000D+00 1.832528671D-03 1.035743392D-06 -2.091649890D-09 7.716068700D-13 6.492764190D+04-1.645080239D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16165.001 1.597651967D+05-1.644007203D+03 1.164643675D+01-4.379215430D-04 9.369640110D-08 -1.049615854D-11 4.780468930D-16 7.204889810D+04-3.648164252D+01 AL2CL6 Gurvich,1996a pt1 p175 pt2 p135. 2 tpis96 AL 2.00CL 6.00 0.00 0.00 0.00 0 266.6810760 -1296876.242 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 34147.090 1.340935279D+05-3.001037953D+03 3.143000879D+01-1.700408496D-02 1.786540089D-05 -1.015419943D-08 2.409630451D-12 -1.471830046D+05-1.274445324D+02 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 34147.090 -2.752975554D+05-9.248235970D+01 2.207058224D+01-2.870537915D-05 6.423325690D-09 -7.436585200D-13 3.472064670D-17 -1.629157014D+05-7.091602129D+01 AL2F6 Gurvich,1996a pt1 p160 pt2 p122. 2 tpis96 AL 2.00F 6.00 0.00 0.00 0.00 0 167.9534952 -2632491.231 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26064.089 1.915061289D+05-3.168240250D+03 2.245374802D+01 1.271532036D-02-2.488697302D-05 1.955252096D-08-5.712084890D-12 -3.049962550D+05-9.396473101D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26064.089 -5.852982610D+05-5.450571990D+02 2.240686320D+01-1.627323704D-04 3.595225040D-08 -4.121201440D-12 1.909095384D-16 -3.219683910D+05-8.589867941D+01 AL2I6 Gurvich,1996a pt1 p196 pt2 p157. 2 tpis96 AL 2.00I 6.00 0.00 0.00 0.00 0 815.3898960 -487747.035 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40920.966 2.587571514D+04-1.280719742D+03 2.677715820D+01-9.913018470D-03 1.168760413D-05 -7.303918530D-09 1.874532749D-12 -5.891105550D+04-8.330209321D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40920.966 -1.210112399D+05-2.467542774D+01 2.201992650D+01-8.462022590D-06 1.957831901D-09 -2.326573151D-13 1.108910373D-17 -6.548523750D+04-5.528536481D+01 AL2O Gurvich,1996a pt1 p129 pt2 p101. 2 tpis96 AL 2.00O 1.00 0.00 0.00 0.00 0 69.9624760 -148611.286 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12776.514 7.776530700D+03-1.294235361D+02 4.912509520D+00 8.604223450D-03-1.217703648D-05 8.314634870D-09-2.237722201D-12 -1.886512879D+04-2.806368311D-02 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12776.514 -1.171074351D+05-1.783009166D+02 7.633215360D+00-5.335931770D-05 1.180702791D-08 -1.355444579D-12 6.287323890D-17 -1.947580149D+04-1.415764167D+01 AL2O+ Chase,1998 p151 12/79. 2 g 1/01 AL 2.00O 1.00E -1.00 0.00 0.00 0 69.9619274 648970.248 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12981.148 6.828925720D+04-9.098504170D+02 8.896563010D+00-7.772554380D-04-4.034655620D-07 6.977315050D-10-2.417262484D-13 8.085007550D+04-2.176216731D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12981.148 -1.102225105D+05-1.214571732D+02 7.591595950D+00-3.694539160D-05 8.218520320D-09 -9.473649720D-13 4.408621350D-17 7.614943580D+04-1.282233856D+01 AL2O2 Gurvich,1996a pt1 p131 pt2 p102. 2 tpis96 AL 2.00O 2.00 0.00 0.00 0.00 0 85.9618760 -403095.587 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15842.613 -1.940560042D+04 2.508489836D+02 3.621403790D+00 1.951385302D-02-2.560329071D-05 1.662721576D-08-4.312396200D-12 -5.172697280D+04 9.923995945D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15842.613 -1.940611656D+05-4.609752430D+02 1.084375637D+01-1.376042893D-04 3.044733119D-08 -3.496193920D-12 1.622305079D-16 -4.963055780D+04-2.946538090D+01 AL2O2+ Chase,1998 p153 12/79. 2 g 2/01 AL 2.00O 2.00E -1.00 0.00 0.00 0 85.9613274 557438.835 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14975.135 8.292034990D+04-1.757427015D+03 1.525328567D+01-8.983131330D-03 8.953954500D-06 -4.840586200D-09 1.096696856D-12 7.311677140D+04-5.517092550D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14975.135 -1.652005184D+05-6.021606970D+01 1.004626917D+01-1.892194088D-05 4.253301200D-09 -4.942390420D-13 2.314507373D-17 6.386219000D+04-2.345753361D+01 AL2O3 Gurvich,1996a pt1 p137 pt2 p105. 2 tpis96 AL 2.00O 3.00 0.00 0.00 0.00 0 101.9612760 -546890.530 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19598.070 -7.443374320D+03 8.829004210D+01 5.264662640D+00 2.507678848D-02-3.434541650D-05 2.302516980D-08-6.122529280D-12 -6.872685950D+04 2.202324298D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19598.070 -2.777784969D+05-4.917465930D+02 1.386703888D+01-1.469381940D-04 3.250406490D-08 -3.730867350D-12 1.730444284D-16 -6.790757850D+04-4.375559873D+01 AL2S Gurvich,1996a pt1 p199 pt2 p160. 2 tpis96 AL 2.00S 1.00 0.00 0.00 0.00 0 86.0280760 220679.131 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14003.931 4.094624370D+04-7.797172470D+02 9.814423100D+00-3.940339820D-03 3.912465430D-06 -2.105891677D-09 4.746001080D-13 2.833963305D+04-2.465067552D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14003.931 -7.043437370D+04-2.676376869D+01 7.520233820D+00-8.166123060D-06 1.816026040D-09 -2.091989298D-13 9.727537700D-18 2.422718377D+04-1.066580982D+01 AL2S2 Gurvich,1996a pt1 p200 pt2 p161. 2 tpis96 AL 2.00S 2.00 0.00 0.00 0.00 0 118.0930760 135287.321 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18099.521 6.614587320D+04-1.111319537D+03 1.257007304D+01-1.456053256D-03-5.851627110D-07 1.390055053D-09-5.496468200D-13 1.914456895D+04-3.600277092D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18099.521 -1.377806456D+05-7.705032500D+01 1.055723566D+01-2.277554487D-05 5.007682850D-09 -5.715862120D-13 2.637999240D-17 1.313336091D+04-2.256851594D+01 Ar Ref-Elm. Moore,1971. Gordon,1999. 3 g 3/98 AR 1.00 0.00 0.00 0.00 0.00 0 39.9480000 0.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 -7.453750000D+02 4.379674910D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 2.010538475D+01-5.992661070D-02 2.500069401D+00-3.992141160D-08 1.205272140D-11 -1.819015576D-15 1.078576636D-19 -7.449939610D+02 4.379180110D+00 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -9.951265080D+08 6.458887260D+05-1.675894697D+02 2.319933363D-02-1.721080911D-06 6.531938460D-11-9.740147729D-16 -5.078300340D+06 1.465298484D+03 Ar+ Moore,1971. IP:Moore,1970a. Gordon,1999. 3 g 1/99 AR 1.00E -1.00 0.00 0.00 0.00 0 39.9474514 1526778.407 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.988 -5.731209170D+04 7.930791470D+02-1.717121217D+00 1.044184018D-02-1.180207501D-05 6.528134780D-09-1.447558130D-12 1.790572230D+05 2.949150950D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.988 -3.835965400D+05 8.162019700D+02 2.301342628D+00-4.952983770D-06 1.205108477D-08 -2.185050286D-12 1.265493898D-16 1.771811455D+05 7.947507480D+00 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.988 1.006884827D+07-6.624361280D+03 4.446908200D+00-3.017567664D-04 2.612882069D-08 -1.201637769D-12 2.299206903D-17 2.349504137D+05-1.032262257D+01 B Martin,J.M.L.,1998. Odintzova,1979. Gordon,1999. 3 g 9/98 B 1.00 0.00 0.00 0.00 0.00 0 10.8110000 575598.760 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6316.060 1.182394638D+02-7.009916910D-02 2.500236159D+00-4.584213700D-07 5.123185830D-10 -3.057217674D-13 7.533815325D-17 6.848359080D+04 4.209501920D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6316.060 -1.072659610D+05 3.225307160D+02 2.126407232D+00 2.106579339D-04-5.937129160D-08 7.377427990D-12-2.282443381D-16 6.643413100D+04 6.877069670D+00 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6316.060 -4.150001310D+08 2.329576796D+05-4.720913710D+01 4.877655960D-03-2.069413791D-07 3.233519090D-12-1.824076527D-18 -1.802904743D+06 4.439617640D+02 B+ Moore,1971. IP:Moore,1970a. Gordon,1999. 3 g 9/98 B 1.00E -1.00 0.00 0.00 0.00 0 10.8104514 1382315.528 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 7.849791190D-02-8.947480950D-04 2.500004085D+00-9.577271230D-09 1.218136411D-11 -7.986752520D-15 2.113769829D-18 1.655080260D+05 2.419053631D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -8.911548030D+03 4.587790090D+00 2.531500086D+00-4.903949100D-05 2.853326582D-08 -7.382175910D-12 7.120721560D-16 1.654526303D+05 2.238669780D+00 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -7.977322890D+08 4.734044940D+05-1.055286044D+02 1.170310076D-02-6.075531110D-07 1.484174716D-11-1.328323987D-16 -3.609116960D+06 9.497399750D+02 B- Hotop,1985. Gordon,1999. 3 g 9/98 B 1.00E 1.00 0.00 0.00 0.00 0 10.8115486 542631.498 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6272.598 2.201568105D+01-4.740468880D-03 2.500014238D+00-2.497056599D-08 2.556360708D-11 -1.415274780D-14 3.271770710D-18 6.451791880D+04 4.616367290D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6272.598 2.118018248D+01 2.070697496D-04 2.499999729D+00 1.456693631D-10-3.888571760D-14 5.090598630D-18-2.601566168D-22 6.451789140D+04 4.616455830D+00 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6272.598 -1.311386485D+02 9.028908800D-02 2.499978572D+00 2.606391052D-09-1.716068068D-13 5.810865540D-18-7.925029090D-23 6.451717400D+04 4.616640300D+00 BBr Gurvich,1996a pt1 p91 pt2 p70. 2 g 9/98 B 1.00BR 1.00 0.00 0.00 0.00 0 90.7150000 240952.358 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8997.058 3.796093500D+04-4.976096020D+02 5.267008200D+00-3.742840190D-05-1.131544370D-06 1.261945702D-09-4.288811880D-13 3.038125367D+04-4.353407330D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8997.058 2.536858027D+05-6.405909500D+02 4.666823470D+00 4.175486390D-04-2.963714868D-07 7.519119540D-11-4.835368320D-15 3.189084340D+04-8.255870910D-01 BBr2 Gurvich,1996a pt1 p92 pt2 p71. 2 g 9/98 B 1.00BR 2.00 0.00 0.00 0.00 0 170.6190000 97828.617 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12200.717 6.516550710D+04-9.029590760D+02 8.063817800D+00 1.129849010D-03-4.195482390D-06 3.965658770D-09-1.283029835D-12 1.470466408D+04-1.336453164D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12200.717 -4.191633370D+05 4.157688470D+02 7.148169830D+00-5.689590750D-04 3.195441770D-07 -5.553176990D-11 3.191136760D-15 6.118982050D+03-5.502759620D+00 BBr3 Gurvich,1996a pt1 p93 pt2 p72. 2 tpis96 B 1.00BR 3.00 0.00 0.00 0.00 0 250.5230000 -205300.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15702.797 3.968073690D+04-6.331087160D+02 8.054551570D+00 9.777571300D-03-1.614866025D-05 1.216119883D-08-3.516539610D-12 -2.366723308D+04-1.106099390D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15702.797 -1.901046795D+05-1.503627687D+02 1.010999896D+01-4.323095110D-05 9.409696190D-09 -1.065218470D-12 4.883048770D-17 -2.742553062D+04-1.997496003D+01 BC Gurvich,1996a pt1 p108 pt2 p86. 2 g 9/98 B 1.00C 1.00 0.00 0.00 0.00 0 22.8217000 838161.905 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8735.105 -3.915758000D+04 7.284538060D+02-1.552743361D+00 1.552898673D-02-1.976857863D-05 1.272066405D-08-3.229982780D-12 9.644913680D+04 3.248204466D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8735.105 -2.346280674D+06 6.450751300D+03-2.619532384D+00 3.339160500D-03-4.508022140D-07 1.351919576D-11 8.265104270D-16 5.786685070D+04 5.037884876D+01 BC2 Gurvich,1996a pt1 p109 pt2 p87. 2 g 9/98 B 1.00C 2.00 0.00 0.00 0.00 0 34.8324000 801258.725 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11687.825 -2.987422175D+04 3.643126580D+02 2.963469415D+00 6.561750150D-03-3.539767240D-06 1.927356029D-10 3.118724866D-13 9.304835730D+04 1.083424193D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11687.825 1.525485889D+06-5.987862380D+03 1.408384855D+01-3.747499800D-03 1.081927223D-06 -1.378744645D-10 6.473822000D-15 1.311204013D+05-6.337215498D+01 BCL Gurvich,1996a pt1 p73 pt2 p51. 2 g 9/98 B 1.00CL 1.00 0.00 0.00 0.00 0 46.2640000 183173.437 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8861.337 2.202458989D+04-1.700511155D+02 3.066075869D+00 5.595070180D-03-8.460870410D-06 6.084733410D-09-1.702889433D-12 2.197402537D+04 6.388978917D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8861.337 -7.421262540D+04 2.638090127D+02 3.600227650D+00 1.018866266D-03-4.666184120D-07 9.849002030D-11-6.468818170D-15 1.912726480D+04 5.235317877D+00 BCL+ Chase,1998 p198. 2 j 6/68 B 1.00CL 1.00E -1.00 0.00 0.00 0 46.2634514 1234280.000 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8860.318 6.514405420D+04-6.845541010D+02 5.527276820D+00-4.458357450D-04-4.557728840D-07 6.370858160D-10-2.134366120D-13 1.509424507D+05-6.918246393D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8860.318 -2.169423542D+05 3.589975160D+02 4.035208370D+00 3.274452430D-04-8.634578450D-08 1.207061044D-11-5.262253270D-16 1.445477224D+05 3.488222017D+00 BCLOH Gurvich,1996a pt1 p83 pt2 p61. 2 g 9/98 B 1.00CL 1.00O 1.00H 1.00 0.00 0 63.2713400 -234005.381 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12431.519 -2.898427288D+04 6.894046580D+02-2.288138069D+00 3.349428620D-02-4.725225980D-05 3.326981310D-08-9.224238860D-12 -3.261981100D+04 3.976886651D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12431.519 7.027738440D+05-2.857391274D+03 1.091175840D+01-8.107709340D-05-2.124440337D-08 5.409912440D-12-3.464153840D-16 -1.307221888D+04-3.585168799D+01 BCL(OH)2 Gurvich,1996a pt1 p85 pt2 p62. 2 tpis96 B 1.00CL 1.00O 2.00H 2.00 0.00 0 80.2786800 -805387.658 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13565.103 8.072623010D+04-8.594619820D+02 2.705039614D+00 3.878799620D-02-5.721734350D-05 4.145850330D-08-1.168536754D-11 -9.379910740D+04 7.134982695D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13565.103 1.423878191D+06-5.849704070D+03 1.792165219D+01-2.009909087D-04-3.393435780D-08 9.838560760D-12-6.472678820D-16 -6.474261760D+04-8.100399519D+01 BCL2 Gurvich,1996a pt1 p74 pt2 p52. 2 tpis96 B 1.00CL 2.00 0.00 0.00 0.00 0 81.7170000 -60881.490 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11513.621 3.598879420D+04-3.602826500D+02 4.157685450D+00 1.152877450D-02-1.816567395D-05 1.341714418D-08-3.840822860D-12 -6.765107050D+03 5.182311874D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11513.621 3.501403130D+05-1.662203590D+03 8.839534720D+00-9.772544110D-04 2.467356248D-07 -2.501151018D-11 8.722954560D-16 5.682909440D+02-2.148348344D+01 BCL2+ Chase,1998 p203 12/79. 2 g 1/01 B 1.00CL 2.00E -1.00 0.00 0.00 0 81.7164514 672315.402 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12848.802 8.065956240D+04-1.149602601D+03 1.016765297D+01-3.586494910D-03 2.837145924D-06 -1.225075731D-09 2.224794198D-13 8.478617410D+04-2.937256994D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12848.802 3.029293331D+05-1.305533159D+03 8.920390060D+00-7.289919640D-04 1.727833266D-07 -1.523567337D-11 4.226911440D-16 8.653415770D+04-2.267466616D+01 BCL2OH Gurvich,1996a pt1 p86 pt2 p63. 2 tpis96 B 1.00CL 2.00O 1.00H 1.00 0.00 0 98.7243400 -604917.444 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14051.769 2.099755170D+04-2.470699169D+02 2.578761742D+00 3.120362393D-02-4.545314050D-05 3.242011770D-08-9.039822660D-12 -7.309028620D+04 1.273658611D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14051.769 5.878113790D+05-2.982969317D+03 1.400662004D+01-1.194189832D-04-1.269775742D-08 4.422892190D-12-3.004089365D-16 -5.824168070D+04-5.150858228D+01 BCL3 Gurvich,1996a pt1 p76 pt2 p53. 2 tpis96 B 1.00CL 3.00 0.00 0.00 0.00 0 117.1700000 -404500.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13970.666 2.392970339D+04-4.140378860D+02 5.488035260D+00 1.648395682D-02-2.456196216D-05 1.743876340D-08-4.845222140D-12 -4.839469840D+04-1.675355198D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13970.666 -2.417408819D+05-2.921539509D+02 1.021668480D+01-8.623637100D-05 1.897792088D-08 -2.168726841D-12 1.002154013D-16 -5.074834440D+04-2.546862377D+01 BF Gurvich,1996a pt1 p56 pt2 p36. 2 g10/97 B 1.00F 1.00 0.00 0.00 0.00 0 29.8094032 -106931.884 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8694.670 -5.238954730D+04 8.118476640D+02-1.141614903D+00 1.161249417D-02-1.175212617D-05 6.019232780D-09-1.238293129D-12 -1.774541998D+04 3.005086287D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8694.670 -3.746389780D+05 5.604493910D+02 3.609186110D+00 6.187216930D-04-1.778938770D-07 2.426601527D-11-9.394651580D-16 -1.819179292D+04 3.716609290D+00 BFCL Gurvich,1996a pt1 p86 pt2 p64. 2 tpis96 B 1.00F 1.00CL 1.00 0.00 0.00 0 65.2624032 -279184.068 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11033.040 -2.363512735D+04 4.383168980D+02 3.918095720D-01 1.719990692D-02-2.139592424D-05 1.337389186D-08-3.371164690D-12 -3.687166590D+04 2.668102752D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11033.040 -1.086309561D+05-5.233438480D+02 7.297504740D+00-3.054410701D-05-3.154598306D-08 1.052290533D-11-7.615432260D-16 -3.305891210D+04-1.186586595D+01 BFCL2 Gurvich,1996a pt1 p88 pt2 p66. 2 tpis96 B 1.00F 1.00CL 2.00 0.00 0.00 0 100.7154032 -643000.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13230.913 4.402551240D+03-1.571398929D+02 4.016322310D+00 1.743396078D-02-2.252789060D-05 1.433673443D-08-3.648755580D-12 -7.822452620D+04 6.886094746D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13230.913 -2.233613309D+05-6.440602960D+02 1.047861848D+01-1.911892367D-04 4.224887790D-08 -4.847266920D-12 2.247974725D-16 -7.740626480D+04-2.814630564D+01 BFOH Gurvich,1996a pt1 p71 pt2 p48. 2 g 9/98 B 1.00F 1.00O 1.00H 1.00 0.00 0 46.8167432 -451631.678 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11973.122 -7.563953670D+04 1.354838128D+03-5.648210110D+00 3.870274660D-02-5.037659180D-05 3.339592640D-08-8.847822950D-12 -6.194446110D+04 5.800362820D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11973.122 7.251318090D+05-3.215620850D+03 1.117909777D+01-1.883881929D-04 2.579708080D-09 2.665158100D-12-2.186647438D-16 -3.716808080D+04-3.978463490D+01 BF(OH)2 Gurvich,1996a pt1 p71 pt2 p49. 2 tpis96 B 1.00F 1.00O 2.00H 2.00 0.00 0 63.8240832 -1049889.539 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12885.220 1.381800676D+04 2.529637004D+02-3.844552040D+00 5.255140850D-02-7.193117730D-05 4.948309910D-08-1.345922496D-11 -1.283123258D+05 4.293659370D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12885.220 1.422037640D+06-6.257297570D+03 1.822460686D+01-3.221396450D-04-7.126739900D-09 6.758699770D-12-5.042554540D-16 -9.186254190D+04-8.527895050D+01 BF2 Gurvich,1996a pt1 p58 pt2 p37. 2 tpis96 B 1.00F 2.00 0.00 0.00 0.00 0 48.8078064 -499426.904 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10612.202 -6.787651760D+04 1.085903536D+03-3.023320961D+00 2.326503687D-02-2.641444147D-05 1.515620683D-08-3.518559180D-12 -6.640918250D+04 4.431968310D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10612.202 -1.153091296D+05-8.109800120D+02 7.602709230D+00-2.409209242D-04 5.328471860D-08 -6.118797940D-12 2.839984178D-16 -5.796222170D+04-1.655644047D+01 BF2+ Chase,1998 p211. 2 j12/70 B 1.00F 2.00E -1.00 0.00 0.00 0 48.8072578 322586.400 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10612.483 -2.938356477D+04 2.955698598D+02 1.894274526D+00 1.280508319D-02-1.388757254D-05 7.624366750D-09-1.706339371D-12 3.598992440D+04 1.384803311D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10612.483 -1.769409966D+05-5.343685180D+02 7.728052910D+00-1.958622052D-06-2.419680893D-08 5.732533810D-12-3.216354230D-16 3.908745050D+04-1.936560315D+01 BF2- Gurvich,1996a pt1 p60 pt2 p38. 2 tpis96 B 1.00F 2.00E 1.00 0.00 0.00 0 48.8083550 -733802.963 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10433.571 2.109765318D+04 1.439564600D+02 2.604646296D-01 1.817373751D-02-2.241565287D-05 1.369712886D-08-3.355952680D-12 -8.971801780D+04 2.351692604D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10433.571 -1.709920627D+05-6.156219790D+02 7.458871370D+00-1.836703248D-04 4.064363960D-08 -4.667700950D-12 2.166264840D-16 -8.741404530D+04-1.620604664D+01 BF2CL Gurvich,1996a pt1 p87 pt2 p65. 2 tpis96 B 1.00F 2.00CL 1.00 0.00 0.00 0 84.2608064 -888000.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12323.693 4.500101250D+03-1.196284966D+02 3.198635140D+00 1.743426933D-02-1.994070287D-05 1.125136430D-08-2.544020371D-12 -1.076779851D+05 1.008195015D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12323.693 -2.066817398D+05-1.024447292D+03 1.075843981D+01-3.023235319D-04 6.672521470D-08 -7.649941900D-12 3.546224500D-16 -1.046936725D+05-3.229995036D+01 BF2OH Gurvich,1996a pt1 p72 pt2 p50. 2 tpis96 B 1.00F 2.00O 1.00H 1.00 0.00 0 65.8151464 -1092217.322 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12395.887 -7.522521650D+03 4.367121690D+02-3.128973474D+00 4.323957680D-02-5.785494040D-05 3.885858130D-08-1.038574523D-11 -1.344259458D+05 4.139170550D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12395.887 5.760759250D+05-3.611900190D+03 1.446897640D+01-3.028293733D-04 2.764337508D-08 -1.905493170D-13-8.694971940D-17 -1.133589041D+05-5.896981510D+01 BF3 Gurvich,1996a pt1 p62 pt2 p39. 2 tpis96 B 1.00F 3.00 0.00 0.00 0.00 0 67.8062096 -1136000.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11651.226 3.465584000D+03 2.133198651D+01 1.641245191D+00 1.993755064D-02-2.150119930D-05 1.145669081D-08-2.442285789D-12 -1.379455591D+05 1.625533544D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11651.226 -1.819767014D+05-1.405347931D+03 1.103412258D+01-4.104591050D-04 9.031277570D-08 -1.033057360D-11 4.780551830D-16 -1.323136863D+05-3.738386080D+01 BF4- Gurvich,1996a pt1 p63 pt2 p40. 2 tpis96 B 1.00F 4.00E 1.00 0.00 0.00 0 86.8051614 -1761265.998 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13795.643 2.068485200D+05-2.463190805D+03 1.206414196D+01 1.102766923D-02-1.751720760D-05 1.201346256D-08-3.150588626D-12 -2.010569206D+05-4.610826940D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13795.643 -4.373241710D+05-7.759289410D+02 1.358222575D+01-2.341024178D-04 5.196915940D-08 -5.982245780D-12 2.781163206D-16 -2.127251877D+05-4.953369700D+01 BH Bauschlicher,1990. Gurvich,1996a pt1 p28 pt2 p19. 2 g12/99 B 1.00H 1.00 0.00 0.00 0.00 0 11.8189400 448727.204 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8639.104 2.063082550D+04-3.682502520D+02 6.071337870D+00-8.728321070D-03 1.458566459D-05 -1.036840401D-08 2.779462579D-12 5.460459920D+04-1.300392582D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8639.104 -1.098531663D+06-1.745890126D+02 8.442426810D+00-5.440196670D-03 2.718307052D-06 -4.839812210D-10 2.868523222D-14 5.016735670D+04-2.971030686D+01 BHCL Gurvich,1996a pt1 p81 pt2 p58. 2 g 9/98 B 1.00H 1.00CL 1.00 0.00 0.00 0 47.2719400 141418.307 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10304.807 4.763274910D+04-4.420016520D+02 3.975645880D+00 8.541698760D-03-1.377785182D-05 1.131521587D-08-3.569659180D-12 1.822278428D+04 3.028452399D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10304.807 3.499991720D+05-2.238404757D+03 8.711106050D+00-1.088882906D-03 4.189301090D-07 -6.568711260D-11 3.620067600D-15 2.841240364D+04-2.589566225D+01 BHCL2 Gurvich,1996a pt1 p82 pt2 p60. 2 tpis96 B 1.00H 1.00CL 2.00 0.00 0.00 0 82.7249400 -251883.529 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11745.632 4.419914810D+04-2.384739577D+02 1.356682235D+00 2.517866897D-02-3.632910400D-05 2.644335581D-08-7.625044110D-12 -3.003877914D+04 1.787024616D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11745.632 4.110996060D+05-2.858027441D+03 1.179547506D+01-6.322817970D-04 1.269551549D-07 -1.352862344D-11 5.921653510D-16 -1.617288760D+04-4.217900972D+01 BHF Gurvich,1996a pt1 p68 pt2 p45. 2 g 9/98 B 1.00H 1.00F 1.00 0.00 0.00 0 30.8173432 -76012.343 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10042.057 -4.908362260D+04 9.610760210D+02-2.919850316D+00 2.149156633D-02-2.595677863D-05 1.693492714D-08-4.553648840D-12 -1.466925195D+04 4.160709310D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10042.057 1.184821300D+06-4.677435180D+03 1.067328148D+01-1.606366598D-03 3.704534700D-07 -3.797882750D-11 1.432441145D-15 1.802640937D+04-4.285931170D+01 BHFCL Gurvich,1996a pt1 p90 pt2 p69. 2 tpis96 B 1.00H 1.00F 1.00CL 1.00 0.00 0 66.2703432 -483036.620 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11414.539 5.761169720D+02 3.042156250D+02-9.808900360D-01 2.803843648D-02-3.676734020D-05 2.499824138D-08-6.873421640D-12 -6.050207390D+04 3.132842092D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11414.539 4.390778920D+05-3.137181709D+03 1.200286161D+01-7.153669340D-04 1.453878608D-07 -1.565197070D-11 6.910075060D-16 -4.232368340D+04-4.466542881D+01 BHF2 Gurvich,1996a pt1 p69 pt2 p47. 2 tpis96 B 1.00H 1.00F 2.00 0.00 0.00 0 49.8157464 -739613.811 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10659.347 -8.353540280D+04 1.616659766D+03-8.161405670D+00 4.153786790D-02-4.921063280D-05 3.054165306D-08-7.786813980D-12 -9.748065460D+04 7.038630750D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10659.347 4.660876960D+05-3.728100490D+03 1.244152658D+01-8.906843190D-04 1.841732568D-07 -2.010774349D-11 8.979196590D-16 -6.978142930D+04-5.103218040D+01 BH2 Jacox,1994. Kolbuszewski,1996. Gurvich,1996a p32. 2 g 2/00 B 1.00H 2.00 0.00 0.00 0.00 0 12.8268800 328909.059 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10023.559 2.812557296D+04-3.000083489D+02 4.824221000D+00-2.186429819D-04 1.485457398D-06 3.893739680D-10-6.331629390D-13 3.991988420D+04-5.042682850D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10023.559 1.360117365D+06-4.917704490D+03 9.758971030D+00-7.415870640D-04 1.269760019D-07 -1.187742442D-11 4.682552510D-16 6.890292660D+04-4.190490120D+01 BH2CL Gurvich,1996a pt1 p82 pt2 p59. 2 tpis96 B 1.00H 2.00CL 1.00 0.00 0.00 0 48.2798800 -80845.754 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10426.902 1.646638117D+04 1.277320942D+02 1.300268921D-01 1.938143193D-02-2.316389616D-05 1.607896164D-08-4.668337650D-12 -1.112112215D+04 2.308500112D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10426.902 1.427215437D+06-6.265564340D+03 1.382183005D+01-1.313843556D-03 2.587131606D-07 -2.713845270D-11 1.172827257D-15 2.639387516D+04-6.399725308D+01 BH2F Gurvich,1996a pt1 p69 pt2 p46. 2 tpis96 B 1.00H 2.00F 1.00 0.00 0.00 0 31.8252832 -323956.732 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10137.922 -8.837920440D+04 1.705285929D+03-8.061246130D+00 3.643188680D-02-4.152482550D-05 2.620135756D-08-6.930886410D-12 -4.787273410D+04 6.862087670D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10137.922 1.435082111D+06-6.625320170D+03 1.409165008D+01-1.422469060D-03 2.828724718D-07 -2.992498948D-11 1.302618926D-15 -7.937192670D+02-6.801356400D+01 BH3 Allendorf,1997. Jacox,1998 p212. Martin,J.M.L.,1992. 2 g 1/00 B 1.00H 3.00 0.00 0.00 0.00 0 13.8348200 104746.599 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10059.699 -6.619635070D+04 1.262658391D+03-4.654355900D+00 2.461795131D-02-2.501537437D-05 1.562330756D-08-4.323949480D-12 5.667587980D+03 4.666504620D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10059.699 1.855778950D+06-8.002492370D+03 1.505692199D+01-1.790456689D-03 3.612511100D-07 -3.866035910D-11 1.698508879D-15 5.967537070D+04-7.994046160D+01 BH4 Radical. Saxon,1993. Yu,1998. 2 g 5/00 B 1.00H 4.00 0.00 0.00 0.00 0 14.8427600 255210.477 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10770.877 2.734274578D+04-8.473619380D+01 1.551871695D+00 1.439765491D-02-6.111152360D-06 -1.324417559D-10 5.133008150D-13 3.022048074D+04 1.250358328D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10770.877 1.354714146D+06-7.870762750D+03 1.826170610D+01-1.948275329D-03 4.072706890D-07 -4.482710900D-11 2.014115885D-15 7.470249490D+04-9.686086890D+01 BH5 Schreiner,1994. 2 g 8/00 B 1.00H 5.00 0.00 0.00 0.00 0 15.8507000 92933.658 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12572.458 -5.603075360D+04 1.457641959D+03-8.245037630D+00 4.817478230D-02-5.535104700D-05 3.578299590D-08-9.717757500D-12 3.424238930D+03 6.695881520D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12572.458 2.472199159D+06-1.110339842D+04 2.243395706D+01-2.121632568D-03 4.038994240D-07 -4.121910490D-11 1.741706383D-15 7.561744630D+04-1.243306259D+02 BH3NH3 Gurvich,1996a pt1 p106 pt2 p84. 2 tpis96 B 1.00H 6.00N 1.00 0.00 0.00 0 30.8653400 -115000.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12681.530 -1.811063598D+05 3.010341543D+03-1.524271135D+01 6.215637750D-02-5.959881850D-05 3.267429360D-08-7.751243090D-12 -2.934278877D+04 1.087399608D+02 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12681.530 4.354925960D+06-1.824235232D+04 3.162999830D+01-3.208243610D-03 5.885075450D-07 -5.808535530D-11 2.382578600D-15 9.438118030D+04-1.897865799D+02 BI Gurvich,1996a pt1 p94 pt2 p73. 2 g 9/98 B 1.00I 1.00 0.00 0.00 0.00 0 137.7154700 325987.502 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9142.202 3.517449530D+04-5.445819300D+02 6.027511010D+00-2.387237926D-03 2.244796277D-06 -1.110001347D-09 2.280204403D-13 4.071910130D+04-7.288049840D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9142.202 2.132872626D+06-6.283684960D+03 1.123964343D+01-3.258856750D-03 7.064282150D-07 -4.230068930D-11-4.208078470D-16 7.797634810D+04-4.664042610D+01 BI2 Gurvich,1996a pt1 p95 pt2 p74. 2 g 9/98 B 1.00I 2.00 0.00 0.00 0.00 0 264.6199400 238096.324 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12688.424 6.640975900D+04-1.044411994D+03 9.734197240D+00-3.952557540D-03 3.165567780D-06 -1.273764644D-09 1.879968132D-13 3.205750890D+04-2.012407058D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12688.424 -3.924022230D+05 4.422902350D+02 7.129623580D+00-5.619634060D-04 3.180760520D-07 -5.537079720D-11 3.183959700D-15 2.291972638D+04-3.201793240D+00 BI3 Gurvich,1996a pt1 p96 pt2 p75. 2 tpis96 B 1.00I 3.00 0.00 0.00 0.00 0 391.5244100 21400.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16933.072 6.243114890D+04-1.002408628D+03 1.106650075D+01 1.609588058D-03-5.147250250D-06 4.732514020D-09-1.512999796D-12 5.160348150D+03-2.420687643D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16933.072 -1.506176506D+05-8.167210610D+01 1.005937867D+01-2.319396215D-05 5.019966730D-09 -5.654349630D-13 2.580651348D-17 -4.261687910D+02-1.617962779D+01 BN Gurvich,1996a pt1 p104 pt2 p83. 2 g 9/98 B 1.00N 1.00 0.00 0.00 0.00 0 24.8177000 574726.408 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8961.108 -4.569707580D+04 6.704286070D+02 3.615089080D-02 7.339487510D-03-4.969033490D-06 1.229031380D-09 6.340281520D-14 6.485465080D+04 2.539869896D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8961.108 -2.276932705D+05-1.025649298D+02 4.414586810D+00 2.561670989D-04-1.612994942D-08 -6.526052930D-13 5.749466120D-17 6.784465130D+04-6.778568656D-01 BO Gurvich,1996a pt1 p10 pt2 p8. 3 g 9/98 B 1.00O 1.00 0.00 0.00 0.00 0 26.8104000 20406.404 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.104 -1.166216822D+04 9.217579390D+01 3.655498490D+00-3.118542920D-03 9.008329830D-06 -8.017789990D-09 2.472952292D-12 8.738284780D+02 4.482847390D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.104 1.788600589D+04-6.309019630D+02 4.574528400D+00 1.988001643D-04-9.702963480D-08 1.870854291D-11-1.030218131D-15 4.841311090D+03-3.398890580D+00 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.104 -1.592699514D+08 1.210955629D+05-3.136823502D+01 5.110037760D-03-3.461020740D-07 1.148046833D-11-1.504899225D-16 -9.345065760D+05 3.026123907D+02 BO- Gurvich,1996a pt1 p13 pt2 p10. 2 g 9/98 B 1.00O 1.00E 1.00 0.00 0.00 0 26.8109486 -277791.076 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.024 -8.242023210D+04 9.203636900D+02-2.302659981D-01 6.229904120D-03-3.157624391D-06 1.184578107D-10 2.819228693D-13 -3.911141220D+04 2.599226838D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.024 2.122804369D+05-1.262124688D+03 5.383167310D+00-3.181049100D-04 7.288988250D-08 -8.141708920D-12 3.715364390D-16 -2.706892261D+04-9.773753670D+00 BOCL Gurvich,1996a pt1 p79 pt2 p55. 2 tpis96 B 1.00O 1.00CL 1.00 0.00 0.00 0 62.2634000 -318536.695 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10607.913 7.052380640D+04-1.315301429D+03 1.130087727D+01-1.207112050D-02 1.880516131D-05 -1.373823975D-08 3.854890160D-12 -3.355399100D+04-3.698462517D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10607.913 1.557148487D+05-1.446254968D+03 8.509448050D+00-3.859007380D-04 8.262268820D-08 -9.261027460D-12 4.219998010D-16 -3.203589040D+04-2.372713292D+01 BOCL2 Gurvich,1996a pt1 p79 pt2 p56. 2 tpis96 B 1.00O 1.00CL 2.00 0.00 0.00 0 97.7164000 -361565.512 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13169.650 7.322667360D+03-2.027726965D+02 4.161924090D+00 1.733309456D-02-2.263908718D-05 1.452275190D-08-3.719593120D-12 -4.414441880D+04 6.520424110D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13169.650 -2.297527041D+05-6.194567930D+02 1.046075518D+01-1.841620739D-04 4.071215430D-08 -4.672246550D-12 2.167237536D-16 -4.371538420D+04-2.743570215D+01 BOF Gurvich,1996a pt1 p65 pt2 p42. 2 tpis96 B 1.00O 1.00F 1.00 0.00 0.00 0 45.8088032 -592978.311 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9988.295 7.226802650D+04-1.131386630D+03 8.816054520D+00-4.627694570D-03 7.801299580D-06 -5.681205840D-09 1.534732094D-12 -6.711116010D+04-2.547957229D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9988.295 1.937020297D+05-1.739112297D+03 8.695650860D+00-4.518895570D-04 9.591019080D-08 -1.067806769D-11 4.840007660D-16 -6.330152390D+04-2.702458617D+01 BOF2 Gurvich,1996a pt1 p66 pt2 p43. 2 tpis96 B 1.00O 1.00F 2.00 0.00 0.00 0 64.8072064 -832767.700 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11611.458 7.227794130D+03 2.148783624D+01 1.157840301D+00 2.250585296D-02-2.610731536D-05 1.508824929D-08-3.518364850D-12 -1.013995733D+05 2.010127136D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11611.458 -2.205028861D+05-1.254238690D+03 1.092551380D+01-3.680144000D-04 8.107164940D-08 -9.281275060D-12 4.297549300D-16 -9.680447580D+04-3.482853330D+01 BOH Gurvich,1996a pt1 p41 pt2 p24. 2 tpis96 B 1.00O 1.00H 1.00 0.00 0.00 0 27.8183400 -6756.578 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10031.524 -7.521410270D+04 1.391444703D+03-5.630330180D+00 2.966358811D-02-3.830835180D-05 2.550606424D-08-6.795857210D-12 -8.341300280D+03 5.517690040D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10031.524 8.447498570D+05-3.016982887D+03 8.083864700D+00-1.609855388D-04-2.191830959D-09 3.127133119D-12-2.376665451D-16 1.647698495D+04-2.603227947D+01 BO2 Gurvich,1996a pt1 p14 pt2 p11. 2 g10/97 B 1.00O 2.00 0.00 0.00 0.00 0 42.8098000 -309121.947 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10772.157 -4.141090640D+04 7.198854610D+02-1.477629435D+00 2.277415194D-02-2.786326934D-05 1.718462069D-08-4.278991440D-12 -4.177657690D+04 3.258458010D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10772.157 -3.834452340D+04-9.563261140D+02 8.200962780D+00-2.062130802D-04 9.872288990D-09 8.158366760D-12-7.527519660D-16 -3.423564020D+04-2.224772278D+01 BO2- Gurvich,1996a pt1 p16 pt2 p13. 2 tpis96 B 1.00O 2.00E 1.00 0.00 0.00 0 42.8103486 -714493.991 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9597.541 5.324279690D+04-7.326313030D+02 5.902470000D+00 2.437465200D-03-4.878803950D-07 -8.475724760D-10 4.080781180D-13 -8.344293680D+04-1.053931911D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9597.541 1.199226372D+05-1.715766982D+03 8.701038220D+00-4.601242120D-04 9.867011870D-08 -1.107288516D-11 5.050183240D-16 -7.825789690D+04-2.839356505D+01 B(OH)2 Gurvich,1996a pt1 p46 pt2 p28. 2 g 9/98 B 1.00O 2.00H 2.00 0.00 0.00 0 44.8256800 -425243.642 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11971.658 1.491659222D+03 3.648184840D+02-2.906006389D+00 4.136834460D-02-5.782584220D-05 4.069783560D-08-1.126499791D-11 -5.375483660D+04 3.888535180D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11971.658 1.557023406D+06-5.784710760D+03 1.487391235D+01-1.821804765D-04-3.803541640D-08 1.030332746D-11-6.685889830D-16 -1.806810301D+04-6.590268900D+01 BS Gurvich,1996a pt1 p97 pt2 p76. 2 g10/98 B 1.00S 1.00 0.00 0.00 0.00 0 42.8760000 273519.405 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8724.105 -3.839490100D+04 6.989417490D+02-1.213980460D+00 1.396391264D-02-1.689881284D-05 1.038889985D-08-2.582063989D-12 2.865685472D+04 3.154819945D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8724.105 1.358760165D+06-4.364035960D+03 9.034307590D+00-2.114548699D-03 4.189275310D-07 -1.354787322D-11-1.360684605D-15 5.913065450D+04-3.336696868D+01 BS2 Gurvich,1996a pt1 p99 pt2 p77. 2 g 9/98 B 1.00S 2.00 0.00 0.00 0.00 0 74.9410000 63867.460 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13559.560 1.820264374D+04-5.150671890D+02 8.547515000D+00-1.626155268D-03 1.866387194D-06 -1.277165468D-09 3.681980690D-13 8.186839750D+03-1.778384854D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13559.560 5.120402510D+05-1.938581076D+03 9.814873460D+00-1.339731606D-03 3.754301160D-07 -4.400383780D-11 1.887662968D-15 1.736535000D+04-2.757546712D+01 B2 Gurvich,1996a pt1 p8 pt2 p7. 2 g 9/98 B 2.00 0.00 0.00 0.00 0.00 0 21.6220000 857370.506 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8805.106 -1.516418096D+05 2.630168946D+03-1.381358321D+01 5.216225190D-02-6.930494740D-05 4.469410390D-08-1.128496456D-11 8.995251050D+04 9.813118490D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8805.106 1.094594495D+06-2.602735739D+03 6.909456210D+00-6.405949890D-04 1.951732355D-07 -2.555902119D-11 1.053557323D-15 1.187807611D+05-1.949045025D+01 B2C Gurvich,1996a pt1 p110 pt2 p88. 2 g 9/98 B 2.00C 1.00 0.00 0.00 0.00 0 33.6327000 800432.614 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11723.114 -4.166519870D+04 5.797779520D+02 1.411017091D+00 1.174705713D-02-1.066474425D-05 4.717232620D-09-7.970013260D-13 9.196874200D+04 1.769254387D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11723.114 1.159241019D+06-4.567798810D+03 1.228672097D+01-2.500830701D-03 6.409979850D-07 -6.932935770D-11 2.672933741D-15 1.222442137D+05-5.199066186D+01 B2CL4 Gurvich,1996a pt1 p77 pt2 p54. 2 g10/97 B 2.00CL 4.00 0.00 0.00 0.00 0 163.4340000 -490000.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21588.132 4.285555130D+04-7.280748810D+02 9.315763670D+00 2.331629623D-02-3.511247610D-05 2.464057658D-08-6.735479960D-12 -5.819023240D+04-1.622083878D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21588.132 -6.427987030D+05 5.078562990D+02 1.486725022D+01 2.026983515D-06 6.272718810D-09 -1.218822573D-12 7.241208410D-17 -6.820066000D+04-4.139110669D+01 B2F4 Gurvich,1996a pt1 p64 pt2 p41. 2 g10/97 B 2.00F 4.00 0.00 0.00 0.00 0 97.6156128 -1438000.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17680.793 -5.971695640D+04 8.189425440D+02-6.437671290D-01 3.858966070D-02-4.313053190D-05 2.404463223D-08-5.393559350D-12 -1.790041225D+05 3.552179970D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17680.793 3.855865890D+04-2.928842655D+03 1.792063736D+01-9.523998270D-04 1.614708845D-07 -1.428613504D-11 5.218739670D-16 -1.613051924D+05-7.184803250D+01 B2H Adams,1989. Yu,1998. 2 g 7/00 B 2.00H 1.00 0.00 0.00 0.00 0 22.6299400 796262.497 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10115.597 8.775579740D+04-1.343931564D+03 9.832099150D+00-5.607137750D-03 5.730651050D-06 -2.266436197D-09 1.972352080D-13 1.009908698D+05-3.282461480D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10115.597 6.175545750D+05-2.627897466D+03 9.084905070D+00-5.389418330D-04 1.050714700D-07 -1.092459556D-11 4.684854660D-16 1.099537555D+05-3.164029910D+01 B2H2 Curtiss,1989a. Yu,1998. 2 g 7/00 B 2.00H 2.00 0.00 0.00 0.00 0 23.6378800 454677.939 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10573.239 1.421617322D+05-2.138011262D+03 1.317732399D+01-8.942658070D-03 1.127804935D-05 -5.787886200D-09 1.000813871D-12 6.372319250D+04-5.346982740D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10573.239 1.240614592D+06-5.368965020D+03 1.379292454D+01-1.136749748D-03 2.245617156D-07 -2.361530467D-11 1.022604572D-15 8.506511490D+04-6.435461300D+01 B2H3 Adams,1989. Yu,1998. 2 g 6/00 B 2.00H 3.00 0.00 0.00 0.00 0 24.6458200 351072.721 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11938.621 9.425147160D+04-1.075866284D+03 6.383999390D+00 1.167858327D-02-1.429661252D-05 1.128776882D-08-3.681325060D-12 4.635335080D+04-1.400002845D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11938.621 1.771506902D+06-7.872260930D+03 1.789447015D+01-1.709304785D-03 3.409575430D-07 -3.614543680D-11 1.575671409D-15 8.737711890D+04-9.054629460D+01 B2H3,db 2-Bridges. Adams,1989. Yu,1998. 2 g 7/00 B 2.00H 3.00 0.00 0.00 0.00 0 24.6458200 353408.227 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11911.227 6.064014840D+04-7.524466330D+02 5.584483840D+00 1.080468494D-02-8.649032810D-06 4.748333310D-09-1.309096028D-12 4.491792300D+04-8.873686820D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11911.227 1.497731017D+06-7.219314140D+03 1.750463766D+01-1.579698800D-03 3.164103470D-07 -3.367225150D-11 1.472919654D-15 8.324349670D+04-8.779549260D+01 B2H4 1-Bridge. Ruscic,1989b. Curtiss,1989b. 2 g 8/00 B 2.00H 4.00 0.00 0.00 0.00 0 25.6537600 211162.059 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12339.859 4.000132300D+04-3.071548876D+02 1.763071673D+00 2.646361882D-02-3.066168202D-05 2.163781936D-08-6.491835410D-12 2.581033714D+04 1.015267130D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12339.859 2.292078842D+06-1.059832517D+04 2.268612155D+01-2.363586598D-03 4.762173070D-07 -5.090100400D-11 2.233911590D-15 8.638591980D+04-1.246794566D+02 B2H4,db 2-Bridges.Ruscic,1989b. Curtiss,1989b. 2 g 7/00 B 2.00H 4.00 0.00 0.00 0.00 0 25.6537600 209932.448 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11528.648 -1.781496923D+04 5.716048040D+02-2.763085348D+00 3.125348696D-02-2.709524346D-05 1.341728634D-08-3.004352798D-12 2.158138307D+04 3.675872940D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11528.648 1.886854256D+06-1.010045614D+04 2.247110812D+01-2.319968667D-03 4.731879960D-07 -5.110673030D-11 2.262693782D-15 8.233487000D+04-1.237455797D+02 B2H5 1-Bridge. Ruscic,1989a. Trachtman,1990. 2 g 5/00 B 2.00H 5.00 0.00 0.00 0.00 0 26.6617000 254783.889 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12220.789 3.830965450D+04-4.066148050D+01-1.422523787D+00 3.674595270D-02-3.851989710D-05 2.444494440D-08-6.821722940D-12 3.008956452D+04 2.802425895D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12220.789 2.696691012D+06-1.320019835D+04 2.735260413D+01-2.961879012D-03 5.984999430D-07 -6.413748550D-11 2.821187823D-15 1.064524901D+05-1.559654379D+02 B2H5,db 2-Bridges. Ruscic,1989a. Trachtman,1990. 2 g 5/00 B 2.00H 5.00 0.00 0.00 0.00 0 26.6617000 275150.616 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11667.516 1.424446027D+04 4.204558200D+02-3.700451250D+00 3.672053100D-02-3.193503730D-05 1.695013434D-08-4.257038140D-12 3.046684683D+04 4.245495820D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11667.516 2.571729448D+06-1.356829858D+04 2.781376038D+01-3.192365030D-03 6.561165260D-07 -7.127333940D-11 3.169492650D-15 1.106370527D+05-1.597214457D+02 B2H6 Hf:Gurvich,1996a pt1 p37. Yu,1998. Duncan,1985. 2 g 5/00 B 2.00H 6.00 0.00 0.00 0.00 0 27.6696400 36600.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11932.313 -1.052844558D+04 1.041795556D+03-8.960518860D+00 5.492480880D-02-5.305197050D-05 3.011904756D-08-7.688768300D-12 -9.259374350D+02 6.812592430D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11932.313 2.835765414D+06-1.567600163D+04 3.226122330D+01-3.738609730D-03 7.718806460D-07 -8.414454540D-11 3.752223380D-15 9.358378550D+04-1.920223395D+02 B2O Gurvich,1996a pt1 p19 pt2 p14. 2 g 9/98 B 2.00O 1.00 0.00 0.00 0.00 0 37.6214000 192798.018 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11783.018 -5.699546760D+04 1.018000465D+03-2.636481947D+00 2.746009279D-02-3.632432720D-05 2.406890217D-08-6.384129720D-12 1.703874394D+04 3.855346110D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11783.018 -1.628723220D+05-3.876289810D+02 7.787723520D+00-1.146822108D-04 2.528097612D-08 -2.893783941D-12 1.339210475D-16 2.263035354D+04-1.908513011D+01 B2O2 Gurvich,1996a pt1 p19 pt2 p15. 2 tpis96 B 2.00O 2.00 0.00 0.00 0.00 0 53.6208000 -457711.486 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13396.618 8.174391690D+04-1.732702797D+03 1.605560926D+01-2.160057288D-02 3.566854570D-05 -2.660198794D-08 7.531833240D-12 -4.899632900D+04-6.172702390D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13396.618 4.605789660D+05-2.990079203D+03 1.256764079D+01-7.850974950D-04 1.672537624D-07 -1.867694780D-11 8.486190670D-16 -4.015748150D+04-4.874413710D+01 B2O3 Gurvich,1996a pt1 p25 pt2 p18. 2 tpis96 B 2.00O 3.00 0.00 0.00 0.00 0 69.6202000 -835382.271 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14418.729 7.379611910D+04-1.263620592D+03 1.072681512D+01 3.841383720D-04 5.976058380D-06 -6.552891350D-09 2.123951064D-12 -9.628183140D+04-3.088078011D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14418.729 3.905035300D+05-3.691348210D+03 1.555502598D+01-9.707645510D-04 2.068887872D-07 -2.310858356D-11 1.050136734D-15 -8.263054410D+04-6.390863440D+01 B2(OH)4 Gurvich,1996a pt1 p52 pt2 p33. 2 g 9/98 B 2.00O 4.00H 4.00 0.00 0.00 0 89.6513600 -1254987.531 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19443.069 -1.728717249D+04 8.495913480D+02-8.715959570D+00 9.362362610D-02-1.278784165D-04 8.813671160D-08-2.400605571D-11 -1.564337133D+05 7.120169310D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19443.069 2.983925656D+06-1.207469577D+04 3.162610570D+01-5.163682440D-04-4.232093970D-08 1.671977280D-11-1.156366726D-15 -8.280976970D+04-1.653010498D+02 B2S Gurvich,1996a pt1 p100, pt2 p78. 2 g 9/98 B 2.00S 1.00 0.00 0.00 0.00 0 53.6870000 622260.705 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13182.705 6.638609300D+04-9.201185690D+02 8.699831340D+00 7.645589010D-04-3.709026030D-06 3.642373980D-09-1.197766071D-12 7.770375800D+04-2.251712444D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13182.705 -1.211501483D+05-6.473398450D+01 7.546825610D+00-1.820541450D-05 3.923951170D-09 -4.403862380D-13 2.003651718D-17 7.258531870D+04-1.394971229D+01 B2S2 Gurvich,1996a pt1 p100 pt2 p79. 2 tpis96 B 2.00S 2.00 0.00 0.00 0.00 0 85.7520000 138317.112 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14569.112 -7.061549970D+04 7.182944780D+02 1.919797788D+00 2.036407461D-02-2.309813846D-05 1.311616725D-08-2.996394781D-12 1.100829019D+04 1.855402586D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14569.112 -1.641535014D+05-7.742865640D+02 1.107731737D+01-2.313278554D-04 5.125614290D-08 -5.894081230D-12 2.738673834D-16 1.733003515D+04-3.359766998D+01 B2S3 Gurvich,1996a pt1 p102 pt2 p81. 2 tpis96 B 2.00S 3.00 0.00 0.00 0.00 0 117.8170000 17754.057 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19938.057 -3.431268500D+04 5.587615370D+02 3.414077410D+00 2.398333891D-02-2.841617637D-05 1.690005199D-08-4.060070710D-12 -3.027690575D+03 1.846767864D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19938.057 -1.905855086D+05-9.348342480D+02 1.369333613D+01-2.766647250D-04 6.110155800D-08 -7.008048570D-12 3.249524620D-16 2.906433760D+03-3.946870479D+01 B3H7,C2v C2v symmetry. Stanton,1989b. 2 g 8/00 B 3.00H 7.00 0.00 0.00 0.00 0 39.4885800 176019.139 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14818.439 1.086009469D+05-7.921536800D+02-9.577368040D-01 5.656119290D-02-6.405034500D-05 4.281322960D-08-1.227580455D-11 2.430638819D+04 2.102582666D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14818.439 3.598592140D+06-1.863701968D+04 3.993998830D+01-4.275410160D-03 8.705358820D-07 -9.385105020D-11 4.147865310D-15 1.272154092D+05-2.379769856D+02 B3H7,Cs Cs symmetry. Stanton,1989b. 2 g 8/00 B 3.00H 7.00 0.00 0.00 0.00 0 39.4885800 159318.322 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14083.322 5.298169330D+04 4.071745370D+02-9.635730530D+00 7.944312000D-02-9.306456820D-05 6.105147350D-08-1.685927691D-11 1.707069083D+04 6.873966560D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14083.322 3.281576450D+06-1.811096595D+04 3.963832460D+01-4.178424110D-03 8.526829060D-07 -9.209600240D-11 4.076496770D-15 1.213622564D+05-2.357090217D+02 B3H9 Hf:McKee,1990. Stanton,1989a. 2 g 7/00 B 3.00H 9.00 0.00 0.00 0.00 0 41.5044600 138908.800 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17329.935 8.483214900D+04-5.206163040D+02-4.665701210D-01 5.346983860D-02-4.155796820D-05 1.944135439D-08-4.541227350D-12 1.805101100D+04 2.110804198D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17329.935 3.863999500D+06-2.229433407D+04 4.875046150D+01-5.418449260D-03 1.125767651D-06 -1.233226406D-10 5.520348180D-15 1.422187123D+05-2.958240102D+02 B3N3H6 Borazole. Gurvich,1996a pt1 p107 pt2 p85. 2 tpis96 B 3.00N 3.00H 6.00 0.00 0.00 0 80.5007400 -512000.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16221.348 -1.552621082D+05 4.010211270D+03-3.382491300D+01 1.624575582D-01-2.065528647D-04 1.368862991D-07-3.673470900D-11 -8.051253400D+04 1.995000751D+02 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16221.348 3.739245170D+06-1.941238951D+04 4.445070030D+01-3.210308050D-03 5.717465420D-07 -5.486692140D-11 2.191943197D-15 4.758426160D+04-2.641156625D+02 B3O3CL3 Gurvich,1996a pt1 p80 pt2 p57. 2 tpis96 B 3.00O 3.00CL 3.00 0.00 0.00 0 186.7902000 -1635982.041 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24451.781 -4.284452800D+04 1.005623966D+03-4.556519630D+00 8.117967140D-02-1.038385803D-04 6.621422330D-08-1.695748504D-11 -2.040907277D+05 5.466113803D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24451.781 -7.414059810D+05-2.527447455D+03 2.687263667D+01-7.463389360D-04 1.646334110D-07 -1.886231553D-11 8.737926310D-16 -1.923509858D+05-1.185636255D+02 B3O3FCL2 Gurvich,1996a pt1 p89 pt2 p68. 2 tpis96 B 3.00O 3.00F 1.00CL 2.00 0.00 0 170.3356032 -1883807.681 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23448.139 -3.719120070D+04 8.673745890D+02-4.095778460D+00 7.815563970D-02-9.767035170D-05 6.097610090D-08-1.532880319D-11 -2.331383552D+05 5.198088158D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23448.139 -7.162360830D+05-2.851210308D+03 2.710953133D+01-8.400919640D-04 1.852318684D-07 -2.121694694D-11 9.827291560D-16 -2.202729252D+05-1.210679365D+02 B3O3F2CL Gurvich,1996a pt1 p89 pt2 p67. 2 tpis96 B 3.00O 3.00F 2.00CL 1.00 0.00 0 153.8810064 -2132816.827 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22260.991 -5.277015540D+04 1.104904696D+03-5.854181050D+00 7.953943100D-02-9.592660770D-05 5.799856310D-08-1.416698348D-11 -2.640400115D+05 6.071247222D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22260.991 -6.810787490D+05-3.370009020D+03 2.748953579D+01-9.905442560D-04 2.182908440D-07 -2.499573480D-11 1.157532106D-15 -2.472114785D+05-1.261501548D+02 B3O3F3 Gurvich,1996a pt1 p67 pt2 p44. 2 tpis96 B 3.00O 3.00F 3.00 0.00 0.00 0 137.4264096 -2382699.078 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21200.738 -7.251549780D+04 1.400996228D+03-7.906716200D+00 8.217161850D-02-9.633152660D-05 5.668194260D-08-1.349024305D-11 -2.953461728D+05 7.001536830D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21200.738 -6.629822910D+05-3.784946870D+03 2.779526578D+01-1.112096232D-03 2.450806704D-07 -2.806484980D-11 1.299750466D-15 -2.748865475D+05-1.315605015D+02 B4H4 Yu,1998. Mach,1994. 2 g 8/00 B 4.00H 4.00 0.00 0.00 0.00 0 47.2757600 326190.400 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14936.602 2.171791579D+05-2.598282557D+03 9.845440610D+00 3.026309140D-02-4.128334160D-05 3.089368344D-08-9.353384260D-12 5.079143480D+04-3.770757210D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14936.602 1.937200886D+06-1.078185932D+04 2.879625241D+01-2.401547707D-03 4.837756780D-07 -5.170490230D-11 2.269138182D-15 9.836595390D+04-1.561814117D+02 B4H10 Wagman,1982 p123. McKee,1990. Dain,1981. 2 g 5/00 B 4.00H 10.00 0.00 0.00 0.00 0 53.3234000 66100.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15485.574 -3.296604820D+04 2.440532922D+03-2.685332563D+01 1.406499347D-01-1.586710574D-04 9.874594130D-08-2.601426018D-11 -3.091924018D+03 1.589905532D+02 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15485.574 4.030474130D+06-2.560629762D+04 5.687233660D+01-6.178567860D-03 1.280621032D-06 -1.400254585D-10 6.258866560D-15 1.506009087D+05-3.520714200D+02 B4H12 Shen,1993. Yu,1998. 2 g 5/00 B 4.00H 12.00 0.00 0.00 0.00 0 55.3392800 188236.114 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21748.714 7.152170300D+04-1.590351575D+02-4.719771660D+00 8.811228900D-02-8.604946880D-05 5.123535510D-08-1.379865250D-11 2.194186547D+04 4.187897400D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21748.714 6.158360800D+06-3.202086730D+04 6.660443600D+01-7.406369280D-03 1.512993908D-06 -1.635619071D-10 7.245385140D-15 2.054586275D+05-4.142106860D+02 B5H9 Hf:Chase,1998 p303 3/65.McKee,1990.Beaudet,1988.Yu,1998. 2 g 6/00 B 5.00H 9.00 0.00 0.00 0.00 0 63.1264600 73220.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16052.677 8.998473720D+04 1.042533357D+02-1.195549834D+01 1.007310686D-01-9.866680210D-05 5.295535180D-08-1.232119583D-11 8.374341780D+03 7.663090480D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16052.677 3.169017620D+06-2.282503203D+04 5.512008980D+01-5.563411420D-03 1.157837073D-06 -1.270332301D-10 5.694262030D-15 1.334452571D+05-3.371060460D+02 Ba Gurvich,1996a. Moore,1971. Moore,1970a. Gordon,1999. 3 g10/97 BA 1.00 0.00 0.00 0.00 0.00 0 137.3270000 185000.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 2.222563526D+03-3.407977850D+01 2.706751118D+00-6.382894490D-04 1.063003846D-06 -9.102624270D-10 3.148062219D-13 2.166549702D+04 5.102545880D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -1.926579228D+07 6.006501040D+04-6.633964130D+01 3.507565930D-02-7.807601830D-06 8.085126800D-10-3.199486918D-14 -3.589663720D+05 5.007583400D+02 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 3.483452070D+08-2.925558261D+05 9.774888490D+01-1.345477126D-02 9.567239790D-07 -3.380662310D-11 4.727390540D-16 2.250335260D+06-7.968444410D+02 Ba+ Moore,1971. Gordon,1999. 3 g10/97 BA 1.00E -1.00 0.00 0.00 0.00 0 137.3264514 694049.528 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -5.423167550D+04 6.744680780D+02-8.940272500D-01 8.796642950D-03-1.222812901D-05 8.387953870D-09-2.037964358D-12 7.941774640D+04 2.607063698D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 8.794971850D+06-1.951817883D+04 1.485542861D+01-9.404233500D-04-7.031257790D-07 1.667412753D-10-1.070117310D-14 2.146800732D+05-9.228264190D+01 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -1.055569557D+08 4.530799570D+04-5.410673220D-01-7.531497600D-04 1.295568595D-07 -6.013388590D-12 8.846178515D-17 -3.000874708D+05 4.370610780D+01 BaBr Gurvich,1996a pt1 p576 pt2 p437. 2 tpis96 BA 1.00BR 1.00 0.00 0.00 0.00 0 217.2310000 -75324.677 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10200.123 -6.912557440D+02-6.245500160D+01 4.796677650D+00-6.838004940D-04 1.043947680D-06 -7.441224300D-10 2.172187003D-13 -1.011349165D+04 5.196454870D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10200.123 -1.056014042D+06 1.034740207D+03 6.735729380D+00-3.784026300D-03 1.952196896D-06 -3.347831880D-10 1.893189803D-14 -1.950233645D+04-5.069279640D+00 BaBr2 Gurvich,1996a pt1 p579 pt2 p439. 2 tpis96 BA 1.00BR 2.00 0.00 0.00 0.00 0 297.1350000 -412514.741 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15485.759 -5.143374060D+03-3.870518460D+01 7.162446970D+00-3.696715310D-04 4.689715270D-07 -3.107902475D-10 8.363582050D-14 -5.153318260D+04 9.741407000D-01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15485.759 -8.928251210D+03-7.536558890D-01 7.000658210D+00-2.949821710D-07 7.092392110D-11 -8.670038100D-15 4.221742310D-19 -5.172669490D+04 1.910185706D+00 BaCL Gurvich,1996a pt1 p570 pt2 p433. 2 tpis96 BA 1.00CL 1.00 0.00 0.00 0.00 0 172.7800000 -136290.881 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9877.119 -2.661946867D+03-7.724996340D+01 4.746106050D+00-3.523548880D-04 3.999198350D-07 -1.936413749D-10 4.124048530D-14 -1.736328141D+04 3.904455084D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9877.119 -1.075410089D+06 1.209303069D+03 6.272558600D+00-3.288110310D-03 1.717751087D-06 -2.910607065D-10 1.632658438D-14 -2.779173737D+04-3.574185216D+00 BaCL+ Gurvich,1996a pt1 p572 pt2 p434. 2 g12/97 BA 1.00CL 1.00E -1.00 0.00 0.00 0 172.7794514 348697.630 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9668.230 -8.951556690D+02-1.334692684D+02 4.935416120D+00-7.574054510D-04 8.355724000D-07 -4.685258510D-10 1.095343103D-13 4.125155990D+04 1.896278378D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9668.230 -1.829198157D+04-2.931616688D+00 4.502280710D+00 3.671788490D-05 2.396147871D-09 5.479458600D-14 1.174342316D-18 4.055100150D+04 4.503765564D+00 BaCL2 Gurvich,1996a pt1 p575 pt2 p436. 2 tpis96 BA 1.00CL 2.00 0.00 0.00 0.00 0 208.2330000 -499301.387 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14599.113 -1.157501999D+03-2.054518828D+02 7.837514050D+00-1.867700704D-03 2.335378734D-06 -1.531373341D-09 4.088525090D-13 -6.115665280D+04-5.978149218D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14599.113 -2.216598768D+04-4.002483810D+00 7.003426740D+00-1.515820808D-06 3.611849210D-10 -4.386759060D-14 2.125803293D-18 -6.219095270D+04-1.132439694D+00 BaF Gurvich,1996a pt1 p562 pt2 p429. 2 tpis96 BA 1.00F 1.00 0.00 0.00 0.00 0 156.3254032 -318993.788 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9342.112 2.530317292D+04-4.716995100D+02 6.185036220D+00-3.366678800D-03 4.011834560D-06 -2.506578601D-09 6.477258160D-13 -3.731872140D+04-6.220715380D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9342.112 1.868380434D+06-7.071099600D+03 1.466959284D+01-6.995950200D-03 2.366313845D-06 -3.287734300D-10 1.647896238D-14 3.571780680D+03-6.662390920D+01 BaF+ Gurvich,1996a pt1 p566 pt2 p430. 2 g12/97 BA 1.00F 1.00E -1.00 0.00 0.00 0 156.3248546 134063.214 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9201.714 2.840719922D+04-4.863571820D+02 5.946058390D+00-2.429844077D-03 2.445346729D-06 -1.316757471D-09 2.974886320D-13 1.730639076D+04-5.951206930D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9201.714 -4.054423670D+04-1.701997704D+01 4.513055340D+00 2.632753508D-05 2.612088236D-09 -9.502197930D-14 6.515176160D-18 1.474486570D+04 2.783167711D+00 BaF2 Gurvich,1996a pt1 p569 pt2 p432. 2 tpis96 BA 1.00F 2.00 0.00 0.00 0.00 0 175.3238064 -812003.483 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13437.017 3.488395520D+04-7.648459560D+02 9.797750380D+00-5.756457510D-03 6.775603800D-06 -4.243614750D-09 1.093687692D-12 -9.590356450D+04-2.082035292D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13437.017 -5.508633660D+04-1.691114228D+01 7.013564880D+00-5.731909770D-06 1.321203959D-09 -1.565528167D-13 7.444983020D-18 -9.983529700D+04-4.389581490D+00 BaH Gurvich,1996a pt1 p554 pt2 p423. 2 tpis96 BA 1.00H 1.00 0.00 0.00 0.00 0 138.3349400 209535.105 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8731.105 -3.765268880D+04 6.986680120D+02-1.313524351D+00 1.460648882D-02-1.802974829D-05 1.133031115D-08-2.865589059D-12 2.097478889D+04 3.230802600D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8731.105 -6.755466570D+06 1.730700212D+04-1.136812458D+01 5.617744740D-03-3.180788850D-07 -1.052342502D-10 1.111101879D-14 -8.954070380D+04 1.182377538D+02 BaI Gurvich,1996a pt1 p581 pt2 p440. 2 tpis96 BA 1.00I 1.00 0.00 0.00 0.00 0 264.2314700 -10237.675 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10397.125 -4.186285540D+03 1.033094613D+01 4.428900230D+00 3.026019976D-04-2.591429408D-07 1.741605400D-10-3.370062760D-14 -2.636169733D+03 8.201924680D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10397.125 -3.533859660D+06 7.394258000D+03 1.285151488D+00-2.303429302D-03 2.214839289D-06 -4.681096810D-10 3.011371472D-14 -5.340229590D+04 3.710443870D+01 BaI2 Gurvich,1996a pt1 p584 pt2 p442. 2 tpis96 BA 1.00I 2.00 0.00 0.00 0.00 0 391.1359400 -288439.965 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15790.435 -4.241592730D+03-1.862214382D+01 7.078556750D+00-1.793922821D-04 2.281437677D-07 -1.514647881D-10 4.081498360D-14 -3.670351490D+04 3.163138970D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15790.435 -6.048224800D+03-3.622729450D-01 7.000317450D+00-1.425793502D-07 3.433349420D-11 -4.201754980D-15 2.047703474D-19 -3.679650750D+04 3.615475320D+00 BaO Gurvich,1996a pt1 p550 pt2 p419. 3 tpis96 BA 1.00O 1.00 0.00 0.00 0.00 0 153.3264000 -117948.392 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9014.108 3.764398500D+04-5.071555300D+02 5.392847280D+00-4.119324690D-04-6.527896620D-07 9.430588420D-10-3.436603030D-13 -1.275552614D+04-3.752213760D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9014.108 1.318481698D+07-3.854253250D+04 4.686741610D+01-2.188646633D-02 5.335677450D-06 -5.152304300D-10 1.433083400D-14 2.306902396D+05-3.028332772D+02 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9014.108 -1.104748482D+09 3.561451690D+05-1.236258085D+01-2.812895475D-03 3.310897210D-07 -1.254960778D-11 1.696392420D-16 -3.157682531D+06 2.067297489D+02 BaO+ Gurvich,1996a pt1 p552 pt2 p421. 3 g11/98 BA 1.00O 1.00E -1.00 0.00 0.00 0 153.3258514 511704.686 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9469.786 3.566410970D+05-3.779246710D+03 1.673544137D+01-1.306611610D-02 2.686157445D-06 4.044077950D-09-2.016508813D-12 7.983268490D+04-7.285118550D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9469.786 -3.317679230D+05 1.594253495D+03 3.227247810D+00 5.722641500D-04-1.147415658D-07 1.382873231D-11-6.384437030D-16 5.025247610D+04 1.409092365D+01 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9469.786 -3.283193020D+06 2.046049762D+03 4.048225140D+00 9.872145390D-05 7.763808620D-11 2.536329860D-13-1.334411326D-18 4.456858530D+04 8.528620900D+00 BaOH Gurvich,1996a pt1 p557 pt2 p425. 2 tpis96 BA 1.00O 1.00H 1.00 0.00 0.00 0 154.3343400 -224256.513 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11224.581 3.776231510D+04-8.891390220D+02 9.531718000D+00-5.458825900D-03 4.941783010D-06 -1.809327537D-09 2.050048305D-13 -2.441852965D+04-2.489410158D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11224.581 2.637336694D+06-8.365410400D+03 1.599803975D+01-5.098446050D-03 1.594657431D-06 -2.180478542D-10 1.084610688D-14 2.393550647D+04-7.490705790D+01 BaOH+ Gurvich,1996a pt1 p558 pt2 p426. 2 tpis96 BA 1.00O 1.00H 1.00E -1.00 0.00 0 154.3337914 202019.313 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11302.980 2.797632165D+04-7.680769400D+02 9.052978440D+00-4.368577900D-03 3.523497260D-06 -8.386360870D-10-6.475457470D-14 2.623280802D+04-2.264561641D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11302.980 8.766738430D+05-2.335819600D+03 7.973166060D+00 1.038679898D-04-6.319485780D-08 1.028729445D-11-5.741808570D-16 3.772517470D+04-1.930805001D+01 Ba(OH)2 Gurvich,1996a pt1 p561 pt2 p428. 2 tpis96 BA 1.00O 2.00H 2.00 0.00 0.00 0 171.3416800 -606666.472 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17388.725 5.702814900D+04-1.577384797D+03 1.659935325D+01-1.039598275D-02 9.664889600D-06 -3.673621440D-09 4.625784990D-13 -6.835158900D+04-5.851911700D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17388.725 1.762908112D+06-4.676205420D+03 1.395135494D+01 2.051842928D-04-1.257265530D-07 2.048917625D-11-1.144045777D-15 -4.545964410D+04-4.929457190D+01 BaS Gurvich,1996a pt1 p585 pt2 p444. 2 tpis96 BA 1.00S 1.00 0.00 0.00 0.00 0 169.3920000 38871.315 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9556.115 1.377075147D+04-3.293500560D+02 5.811545840D+00-2.848973760D-03 3.576336020D-06 -2.325649347D-09 6.172805310D-13 4.964432450D+03-3.497962615D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9556.115 6.104262070D+06-2.227617479D+04 3.597513510D+01-2.157793740D-02 7.319872350D-06 -1.089038636D-09 5.884101950D-14 1.404138006D+05-2.141776331D+02 Ba2 Gurvich,1996a pt1 p545 pt2 p417. 2 tpis96 BA 2.00 0.00 0.00 0.00 0.00 0 274.6540000 355964.337 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11359.137 -1.294177083D+04-7.276330080D+02 1.464866569D+01-3.966331650D-02 5.898711060D-05 -4.235300560D-08 1.189594362D-11 4.386712230D+04-4.145673670D+01 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11359.137 2.160114547D+05 1.950676877D+02 2.253699771D+00 1.507750613D-04-4.742515000D-08 7.048951960D-12-3.547440170D-16 4.167762970D+04 2.375906459D+01 Be Hf:Cox,1989. Kramida,1997. Gordon,1999. 3 g11/97 BE 1.00 0.00 0.00 0.00 0.00 0 9.0121820 324000.000 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -4.112901520D-04 5.364967360D-06 2.499999972D+00 7.569203690D-11-1.097852652D-13 8.002110240D-17-2.303022777D-20 3.822264590D+04 2.146172983D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -6.926285840D+05 2.466773005D+03-9.776613340D-01 2.458939515D-03-9.047950420D-07 1.587880407D-10-9.415600603D-15 2.300212917D+04 2.623234754D+01 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 4.145833520D+08-2.254147519D+05 4.411437910D+01-3.022853591D-03 1.178346131D-07 -2.273387650D-12 1.196838345D-17 1.866686325D+06-3.752337400D+02 Be+ Moore,1971. Moore,1970a. Gordon,1999. 3 g 1/98 BE 1.00E -1.00 0.00 0.00 0.00 0 9.0116334 1229701.328 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 0.000000000D+00 1.471528569D+05 2.839228698D+00 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -9.478135980D+04 2.768325398D+02 2.191388413D+00 1.648824289D-04-4.280166820D-08 4.542350470D-12-6.270417825D-17 1.453850986D+05 5.055503840D+00 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 -2.321269508D+08 1.525464518D+05-3.651092580D+01 4.812692090D-03-2.928878120D-07 8.899649840D-12-1.055676610D-16 -1.052744318D+06 3.402173130D+02 Be++ Moore,1970a. Gordon,1999. 3 g 3/97 BE 1.00E -2.00 0.00 0.00 0.00 0 9.0110848 2993001.528 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 0.000000000