THERMO 300.0 1000.0 5000.0 Electron gas L10/92E 1. 0. 0. 0.G 200.000 6000.0005.48579903-04 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02-1.17246902E+01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02-1.17246902E+01 0.00000000E+00 4 AL J 6/83AL 1. 0. 0. 0.G 200.000 6000.000 26.98154 1 2.53385701E+00-4.65859492E-05 2.82798048E-08-8.54362013E-12 1.02207983E-15 2 3.89045662E+04 5.37984173E+00 3.11112433E+00-3.59382310E-03 8.14749313E-06 3 -8.08808966E-09 2.93132463E-12 3.88283390E+04 2.84045724E+00 3.96535695E+04 4 AL+ J 6/83AL 1.E -1. 0. 0.G 298.150 6000.000 26.98099 1 2.51215337E+00-2.61011300E-05 1.90360463E-08-5.68881493E-12 6.00529995E-16 2 1.09023995E+05 3.72538261E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 1.09028141E+05 3.79100586E+00 1.09773516E+05 4 AL- J 6/83AL 1.E 1. 0. 0.G 298.150 6000.000 26.98209 1 2.18963489E+00 8.03446211E-04-3.79389535E-07 6.90059853E-11-4.39884116E-15 2 3.30960260E+04 7.55557187E+00 2.64731898E+00-7.20371592E-04 1.02539612E-06 3 -3.51118197E-11-2.38932974E-13 3.30049252E+04 5.30876665E+00 3.37710821E+04 4 ALBO2 J 6/66AL 1.B 1.O 2. 0.G 300.000 5000.000 69.79134 1 7.17229950E+00 2.97807410E-03-1.24311070E-06 2.31887790E-10-1.60412080E-14 2 -6.76836820E+04-9.98173976E+00 2.30872340E+00 1.88905390E-02-2.06333480E-05 3 1.02513240E-08-1.69412830E-12-6.64821670E+04 1.44770185E+01-6.51170313E+04 4 ALBr J 9/79AL 1.BR 1. 0. 0.G 300.000 5000.000 106.88554 1 4.38224240E+00 2.12007070E-04-7.07644470E-08 1.06590180E-11 1.48302660E-16 2 5.76168490E+02 3.73910857E+00 3.49006110E+00 4.54767970E-03-8.19355780E-06 3 6.86661520E-09-2.17650580E-12 7.29453060E+02 7.88664757E+00 1.91229750E+03 4 ALBr3 J 9/79AL 1.BR 3. 0. 0.G 300.000 5000.000 266.69354 1 9.61505900E+00 4.44685460E-04-1.99029830E-07 3.92518180E-11-2.84279750E-15 2 -5.23495440E+04-1.31191090E+01 6.25372060E+00 1.60802170E-02-2.86597580E-05 3 2.36160760E-08-7.39313140E-12-5.17352110E+04 2.68365807E+00-4.93659766E+04 4 ALC J 6/63AL 1.C 1. 0. 0.G 300.000 5000.000 38.99254 1 4.15644780E+00 4.46924900E-04-1.74670400E-07 3.43043360E-11-2.47727060E-15 2 8.16066050E+04 2.90472521E+00 2.64224830E+00 6.44651610E-03-9.58923760E-06 3 6.90408050E-09-1.94307790E-12 8.19298740E+04 1.02673620E+01 8.29321939E+04 4 ALCL J 9/79AL 1.CL 1. 0. 0.G 300.000 5000.000 62.43424 1 4.33952710E+00 2.48388740E-04-8.29218520E-08 1.23423190E-11-2.37558180E-17 2 -7.52810810E+03 2.53729424E+00 3.12222860E+00 5.92804740E-03-1.04158320E-05 3 8.55510650E-09-2.67223800E-12-7.30758390E+03 8.25335614E+00-6.18958661E+03 4 ALCL+ J 6/76AL 1.CL 1.E -1. 0.G 300.000 5000.000 62.43369 1 4.62849650E+00-3.47505350E-04 2.29973510E-07-2.42797980E-11-2.64405440E-16 2 1.02204470E+05 1.43039989E+00 2.86983520E+00 6.65345860E-03-1.13277070E-05 3 9.07029740E-09-2.77946400E-12 1.02597410E+05 1.00199526E+01 1.03665310E+05 4 ALCLF J 6/76AL 1.CL 1.F 1. 0.G 300.000 5000.000 81.43264 1 6.42626220E+00 6.78611680E-04-3.11863920E-07 6.21423790E-11-4.25195730E-15 2 -6.09387690E+04-3.06227076E+00 3.21759680E+00 1.45245490E-02-2.39224880E-05 3 1.86216090E-08-5.59036670E-12-6.03055080E+04 1.22718185E+01-5.88778039E+04 4 ALCLF+ J 6/76AL 1.CL 1.F 1.E -1.G 300.000 5000.000 81.43209 1 6.88359050E+00 7.05093660E-04-3.13660880E-07 6.16073100E-11-4.44905370E-15 2 3.10059900E+04-8.48211353E+00 3.73412920E+00 1.38890430E-02-2.22225390E-05 3 1.69376830E-08-5.00613420E-12 3.16477550E+04 6.66914747E+00 3.32131840E+04 4 ALCLF2 J 6/76AL 1.CL 1.F 2. 0.G 300.000 5000.000 100.43105 1 8.86745440E+00 1.29333190E-03-5.74687960E-07 1.12784190E-10-8.13981540E-15 2 -1.23092500E+05-1.56007846E+01 3.49052450E+00 2.34106220E-02-3.67308020E-05 3 2.75774850E-08-8.05708740E-12-1.21978570E+05 1.03598344E+01-1.20171161E+05 4 ALCL2 J 6/76AL 1.CL 2. 0. 0.G 300.000 5000.000 97.88694 1 6.64141330E+00 4.33919070E-04-2.03424560E-07 4.09001350E-11-2.72093750E-15 2 -3.57946890E+04-3.34843904E+00 3.93367410E+00 1.29289180E-02-2.27679920E-05 3 1.86055150E-08-5.79002790E-12-3.52966190E+04 9.40186676E+00-3.37162634E+04 4 ALCL2+ J 6/76AL 1.CL 2.E -1. 0.G 300.000 5000.000 97.88639 1 7.09545770E+00 4.65254700E-04-2.07664790E-07 4.08799060E-11-2.95689140E-15 2 5.56437750E+04-8.51809862E+00 4.35611280E+00 1.26406120E-02-2.15540600E-05 3 1.72227530E-08-5.27444730E-12 5.61697360E+04 4.49304738E+00 5.78714632E+04 4 ALCL2- J 6/76AL 1.CL 2.E 1. 0.G 300.000 5000.000 97.88749 1 6.71256180E+00 3.46568360E-04-1.58843540E-07 2.99500630E-11-1.65448150E-15 2 -5.99542570E+04-4.13632915E+00 4.25109460E+00 1.19685620E-02-2.15382290E-05 3 1.78692300E-08-5.62207530E-12-5.95130610E+04 7.39326185E+00-5.78712622E+04 4 ALCL2F J 6/76AL 1.CL 2.F 1. 0.G 300.000 5000.000 116.88534 1 9.14760670E+00 9.76691590E-04-4.34886760E-07 8.54640750E-11-6.17394740E-15 2 -9.80602870E+04-1.53791197E+01 4.25516640E+00 2.20167890E-02-3.62769860E-05 3 2.82748420E-08-8.50110950E-12-9.70888870E+04 8.02488765E+00-9.51102737E+04 4 ALCL3 J 9/79AL 1.CL 3. 0. 0.G 300.000 5000.000 133.33964 1 9.40410830E+00 6.86418720E-04-3.06638500E-07 6.03915090E-11-4.36935740E-15 2 -7.32858130E+04-1.62963831E+01 4.91326650E+00 2.10318640E-02-3.65469310E-05 3 2.95868120E-08-9.14510050E-12-7.24410560E+04 4.94299604E+00-7.03101033E+04 4 ALF J 9/79AL 1.F 1. 0. 0.G 300.000 5000.000 45.97994 1 4.12613950E+00 4.62680540E-04-1.74777330E-07 3.00154840E-11-1.53288410E-15 2 -3.32759380E+04 2.06640743E+00 2.64729250E+00 6.08226860E-03-8.59634290E-06 3 5.89798370E-09-1.58867650E-12-3.29492600E+04 9.31391243E+00-3.19546746E+04 4 ALF+ J 6/76AL 1.F 1.E -1. 0.G 300.000 5000.000 45.97939 1 3.35221860E+00 1.31038670E-03-1.43183830E-07-4.54423300E-11 7.34207490E-15 2 8.22325000E+04 7.08370839E+00 2.72530530E+00 4.81203130E-03-5.44117190E-06 3 2.74390840E-09-3.58751920E-13 8.22504680E+04 9.72336109E+00 8.32340781E+04 4 ALF2 J 6/76AL 1.F 2. 0. 0.G 300.000 5000.000 64.97835 1 6.15793000E+00 9.81322870E-04-4.45350280E-07 8.82059600E-11-6.12622550E-15 2 -8.55664790E+04-3.95119233E+00 2.74084650E+00 1.44667450E-02-2.15206190E-05 3 1.54119890E-08-4.32297970E-12-8.48345940E+04 1.26766818E+01-8.35361263E+04 4 ALF2+ J 6/76AL 1.F 2.E -1. 0.G 300.000 5000.000 64.97780 1 6.59253940E+00 1.03194890E-03-4.57394400E-07 8.96205990E-11-6.46098250E-15 2 8.89919430E+03-9.45969765E+00 3.12391760E+00 1.45230560E-02-2.13154430E-05 3 1.51561330E-08-4.23740960E-12 9.65450720E+03 7.47417645E+00 1.10710379E+04 4 ALF2- J 6/76AL 1.F 2.E 1. 0.G 300.000 5000.000 64.97889 1 6.26667450E+00 8.37111720E-04-3.68400210E-07 7.01504770E-11-4.68762980E-15 2 -1.11252900E+05-5.02117966E+00 2.67153500E+00 1.56019440E-02-2.44193220E-05 3 1.82531690E-08-5.30647750E-12-1.10508600E+05 1.23382337E+01-1.09200801E+05 4 ALF2O J 6/76AL 1.F 2.O 1. 0.G 300.000 5000.000 80.97775 1 8.82056220E+00 1.25486940E-03-5.45244650E-07 1.20368600E-10-9.64835990E-15 2 -1.36306680E+05-1.60428722E+01 3.08740900E+00 2.38332390E-02-3.60629830E-05 3 2.62689190E-08-7.48567600E-12-1.35065400E+05 1.18936718E+01-1.33355812E+05 4 ALF2O- J 6/76AL 1.F 2.O 1.E 1.G 300.000 5000.000 80.97829 1 8.61427860E+00 1.57845960E-03-7.00291150E-07 1.37292120E-10-9.90139850E-15 2 -1.60403360E+05-1.58792508E+01 2.91975970E+00 2.40940130E-02-3.60809440E-05 3 2.60678480E-08-7.38083790E-12-1.59181520E+05 1.18310822E+01-1.57510833E+05 4 ALF3 J 9/79AL 1.F 3. 0. 0.G 200.000 6000.000 83.97675 1 8.72897229E+00 1.31428559E-03-5.17599581E-07 8.86782789E-11-5.52837363E-15 2 -1.48390330E+05-1.75036661E+01 3.10285412E+00 2.23455765E-02-3.14588690E-05 3 2.11582073E-08-5.53896073E-12-1.47126797E+05 1.01597069E+01-1.45447229E+05 4 ALF4- J 6/76AL 1.F 4.E 1. 0.G 300.000 5000.000 102.97570 1 1.14714510E+01 1.75257860E-03-7.80642270E-07 1.53444740E-10-1.10863740E-14 2 -2.43360360E+05-3.11980750E+01 2.58785930E+00 3.99304410E-02-6.57369140E-05 3 5.11630550E-08-1.53586950E-11-2.41596490E+05 1.13015770E+01-2.39537061E+05 4 ALH J 6/63AL 1.H 1. 0. 0.G 300.000 5000.000 27.98948 1 3.33668980E+00 1.28778640E-03-4.98699410E-07 9.22946330E-11-6.34516940E-15 2 3.00917610E+04 3.09548823E+00 3.65768570E+00-1.97446980E-03 6.86633980E-06 3 -6.20414040E-09 1.86631030E-12 3.01464580E+04 2.08851103E+00 3.11985222E+04 4 ALI J 9/79AL 1.I 1. 0. 0.G 200.000 6000.000 153.88601 1 4.30067835E+00 3.94526798E-04-1.94717877E-07 4.31766594E-11-2.50995942E-15 2 6.87733839E+03 5.19554990E+00 3.37619386E+00 6.20358000E-03-1.33437988E-05 3 1.28978040E-08-4.59262508E-12 6.98468944E+03 9.20980277E+00 8.17245995E+03 4 ALI3 J 9/79AL 1.I 3. 0. 0.G 300.000 5000.000 407.69495 1 9.70924960E+00 3.36646920E-04-1.50948540E-07 2.98131580E-11-2.16179940E-15 2 -2.62339960E+04-1.06639943E+01 6.97612980E+00 1.32127780E-02-2.38290730E-05 3 1.97963930E-08-6.23362760E-12-2.57415850E+04 2.14766716E+00-2.32487352E+04 4 ALN J12/79AL 1.N 1. 0. 0.G 300.000 5000.000 40.98828 1 4.14504680E+00 4.85609620E-04-2.01264090E-07 4.12594880E-11-2.88543080E-15 2 6.15832400E+04 3.58234298E+00 2.64486500E+00 6.54168760E-03-9.86253390E-06 3 7.18823230E-09-2.04448450E-12 6.18973820E+04 1.08478644E+01 6.29028113E+04 4 ALO J12/79AL 1.O 1. 0. 0.G 300.000 5000.000 42.98094 1 3.31390640E+00 1.04524210E-03 2.74855330E-07-1.79286060E-10 1.99878130E-14 2 7.09433360E+03 7.20963423E+00 2.81161030E+00 3.95842610E-03-3.36953040E-06 3 6.73304970E-10 4.00894550E-13 7.06550370E+03 9.20895753E+00 8.05147516E+03 4 ALO+ J12/79AL 1.O 1.E -1. 0.G 300.000 5000.000 42.98039 1 4.19084670E+00 6.93581980E-04-3.44599990E-07 7.61723270E-11-5.90324000E-15 2 1.18074390E+05 3.52951982E+00 2.94144340E+00 5.25921680E-03-7.34390730E-06 3 5.33167830E-09-1.57833360E-12 1.18374690E+05 9.73538252E+00 1.19430345E+05 4 ALO- J12/79AL 1.O 1.E 1. 0.G 300.000 5000.000 42.98149 1 4.03805550E+00 5.58371100E-04-2.18886650E-07 3.85330240E-11-2.10955500E-15 2 -3.37100890E+04 2.24480652E+00 2.72267540E+00 4.94755180E-03-5.75717540E-06 3 3.14244000E-09-6.41528320E-13-3.33912960E+04 8.83631372E+00-3.24045842E+04 4 ALOCL J 9/64AL 1.O 1.CL 1. 0.G 300.000 5000.000 78.43364 1 6.78052000E+00 7.96628220E-04-3.42333550E-07 6.50226480E-11-4.55191970E-15 2 -4.40808320E+04-9.30014039E+00 3.24444090E+00 1.41170050E-02-1.93220380E-05 3 1.19627980E-08-2.70691800E-12-4.33123430E+04 8.00537211E+00-4.18659024E+04 4 ALOF J12/75AL 1.O 1.F 1. 0.G 300.000 5000.000 61.97934 1 6.45216220E+00 1.19265950E-03-5.28931370E-07 1.03678110E-10-7.47653670E-15 2 -7.21163630E+04-9.01812781E+00 2.03914610E+00 1.89487620E-02-2.89787700E-05 3 2.13609410E-08-6.15798730E-12-7.11823330E+04 1.23865982E+01-6.99488680E+04 4 ALOH J12/67AL 1.O 1.H 1. 0.G 300.000 5000.000 43.98888 1 3.68606740E+00 3.36368220E-03-1.24662440E-06 2.13822050E-10-1.38983190E-14 2 -2.30461050E+04 3.69015559E+00 2.61322110E+00 2.77168940E-03 7.41578300E-06 3 -1.13546020E-08 4.55695590E-12-2.25867970E+04 1.00753303E+01-2.16392416E+04 4 ALOH+ J12/67AL 1.O 1.H 1.E -1.G 300.000 5000.000 43.98833 1 4.15019870E+00 2.89252120E-03-1.05654140E-06 1.79451670E-10-1.15870140E-14 2 6.38928880E+04 2.64013812E+00 1.96034390E+00 7.91911400E-03-2.28579590E-06 3 -4.01037890E-09 2.57075960E-12 6.45101850E+04 1.41061776E+01 6.54197350E+04 4 ALOH- J12/67AL 1.O 1.H 1.E 1.G 300.000 5000.000 43.98943 1 4.30107180E+00 2.16685030E-03-7.39886450E-07 1.18210550E-10-7.22088410E-15 2 -2.91340950E+04 3.52700755E+00 2.91302040E+00 5.95307150E-03-3.05580540E-06 3 -1.25987090E-09 1.28860940E-12-2.87818270E+04 1.06224669E+01-2.76775938E+04 4 ALO2 J12/79AL 1.O 2. 0. 0.G 300.000 5000.000 58.98034 1 6.60646410E+00 1.08022520E-03-5.22293440E-07 1.13242200E-10-8.52909680E-15 2 -1.25324320E+04-8.01717587E+00 3.25451480E+00 1.42758440E-02-2.11032480E-05 3 1.50562590E-08-4.21426140E-12-1.18125820E+04 8.30255493E+00-1.03664132E+04 4 ALO2- J12/79AL 1.O 2.E 1. 0.G 300.000 5000.000 58.98089 1 6.36874820E+00 1.27920300E-03-5.65039910E-07 1.10463790E-10-7.95124420E-15 2 -6.09720090E+04-8.79879504E+00 3.08120380E+00 1.30396540E-02-1.71199220E-05 3 1.09787000E-08-2.79421200E-12-6.02062030E+04 7.50156686E+00-5.88388468E+04 4 ALO2H J12/68AL 1.O 2.H 1. 0.G 300.000 5000.000 59.98828 1 6.42643460E+00 3.22303620E-03-1.21393480E-06 2.10745000E-10-1.38280000E-14 2 -5.76261540E+04-7.45759256E+00 2.48004560E+00 1.61492640E-02-1.60335240E-05 3 6.44661660E-09-4.09947690E-13-5.66827590E+04 1.23070710E+01-5.53546581E+04 4 ALS J12/79AL 1.S 1. 0. 0.G 200.000 6000.000 59.04754 1 1.98171118E+00 3.97526437E-03-1.49428858E-06 2.26365870E-10-1.21036384E-14 2 2.82405754E+04 1.59882273E+01 2.71455183E+00 7.31180725E-03-1.26528925E-05 3 1.01796165E-08-2.87613387E-12 2.76434914E+04 1.05669599E+01 2.86847932E+04 4 AL2 J 6/79AL 2. 0. 0. 0.G 300.000 5000.000 53.96308 1 5.81580620E+00-1.32505370E-03 6.07518860E-07-1.06924190E-10 7.06114090E-15 2 5.67890470E+04-4.95471063E+00 1.80944810E+00 1.59365020E-02-2.72502580E-05 3 1.98711200E-08-5.36840460E-12 5.75311340E+04 1.40720808E+01 5.85749290E+04 4 AL2Br6 J 9/79AL 2.BR 6. 0. 0.G 300.000 5000.000 533.38708 1 2.12743310E+01 8.39396350E-04-3.75947780E-07 7.41701100E-11-5.37285510E-15 2 -1.19293250E+05-5.61068200E+01 1.41859790E+01 3.44525060E-02-6.25224370E-05 3 5.21732380E-08-1.64827090E-11-1.18025250E+05-2.29291060E+01-1.12721454E+05 4 AL2CL6 J 9/79AL 2.CL 6. 0. 0.G 300.000 5000.000 266.67928 1 2.07940030E+01 1.39142470E-03-6.22136710E-07 1.22593770E-10-8.87275850E-15 2 -1.62404720E+05-6.24731881E+01 1.05091980E+01 4.90774360E-02-8.72087260E-05 3 7.17234320E-08-2.24243280E-11-1.60517840E+05-1.40840671E+01-1.55842516E+05 4 AL2F6 J 9/79AL 2.F 6. 0. 0.G 300.000 5000.000 167.95350 1 1.88298460E+01 3.62022300E-03-1.60855520E-06 3.15662520E-10-2.27802870E-14 2 -3.23151100E+05-6.32400790E+01 3.16181180E+00 6.88988900E-02-1.09658600E-04 3 8.32933420E-08-2.45610490E-11-3.19942480E+05 1.22125640E+01-3.16753265E+05 4 AL2I6 J 9/79AL 2.I 6. 0. 0.G 300.000 5000.000 815.38990 1 2.15031910E+01 5.75941930E-04-2.58390280E-07 5.10459770E-11-3.70177380E-15 2 -6.54491310E+04-5.11660663E+01 1.62254980E+01 2.59384390E-02-4.76423520E-05 3 4.00836850E-08-1.27371840E-11-6.45194970E+04-2.65404143E+01-5.88767000E+04 4 AL2O J12/79AL 2.O 1. 0. 0.G 300.000 5000.000 69.96248 1 6.77206270E+00 8.25500920E-04-3.62910010E-07 6.95313000E-11-4.73452110E-15 2 -1.96431970E+04-8.77233129E+00 4.07326560E+00 1.13076130E-02-1.65651620E-05 3 1.17842840E-08-3.30055030E-12-1.90542300E+04 4.40834831E+00-1.74618202E+04 4 AL2O+ J12/79AL 2.O 1.E -1. 0.G 300.000 5000.000 69.96193 1 6.87978550E+00 7.07498770E-04-3.14192440E-07 6.16409830E-11-4.44786980E-15 2 7.62707560E+04-8.33181442E+00 4.10457360E+00 1.19783510E-02-1.85225890E-05 3 1.37566910E-08-3.98674230E-12 7.68527030E+04 5.10257248E+00 7.84705396E+04 4 AL2O2 J12/79AL 2.O 2. 0. 0.G 300.000 5000.000 85.96188 1 9.15909760E+00 9.68539270E-04-4.32585130E-07 8.51788400E-11-6.16153700E-15 2 -5.04280590E+04-1.91564680E+01 2.75964110E+00 2.99975990E-02-5.21904970E-05 3 4.22826860E-08-1.30753600E-11-4.92260320E+04 1.11007720E+01-4.74536598E+04 4 AL2O2+ J12/79AL 2.O 2.E -1. 0.G 300.000 5000.000 85.96133 1 9.27516930E+00 8.35872230E-04-3.73616080E-07 7.36051680E-11-5.32627940E-15 2 6.52640680E+04-1.86772586E+01 3.34219040E+00 2.81112490E-02-4.95471780E-05 3 4.05097520E-08-1.26103100E-11 6.63625060E+04 9.29024167E+00 6.82447923E+04 4 Ar L 6/88AR 1. 0. 0. 0.G 200.000 6000.000 39.94800 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02 4.37967491E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02 4.37967491E+00 0.00000000E+00 4 Ar+ L10/92AR 1.E -1. 0. 0.G 298.150 6000.000 39.94745 1 2.86999547E+00-1.42547242E-04 9.36688776E-09 2.92580859E-12-3.58247941E-16 2 1.82702617E+05 3.53229980E+00 2.59316097E+00-1.32892944E-03 5.26503944E-06 3 -5.97956691E-09 2.18967862E-12 1.82878368E+05 5.44980575E+00 1.83628186E+05 4 B J 6/83B 1. 0. 0. 0.G 200.000 6000.000 10.81100 1 2.49860273E+00 1.40267322E-06 1.09458278E-09-1.20006414E-12 2.43121994E-16 2 6.66075914E+04 4.21887979E+00 2.51054099E+00-6.23801328E-05 1.42178099E-07 3 -1.41697796E-10 5.15018749E-14 6.66053894E+04 4.16367209E+00 6.73521350E+04 4 B+ J 6/83B 1.E -1. 0. 0.G 298.150 6000.000 10.81045 1 2.51207118E+00-2.60008491E-05 1.90411755E-08-5.71840071E-12 6.06893037E-16 2 1.63627851E+05 2.35392699E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 1.63631960E+05 2.41907708E+00 1.64377336E+05 4 B- J 6/83B 1.E 1. 0. 0.G 298.150 6000.000 10.81155 1 2.50007592E+00-8.17294256E-08 3.29965783E-11-5.74649652E-15 3.62366056E-19 2 6.26417693E+04 4.61598593E+00 2.50120271E+00-5.73427208E-06 1.09670435E-08 3 -9.50303533E-12 3.08935774E-15 6.26415806E+04 4.61078138E+00 6.33871389E+04 4 BCL J12/64B 1.CL 1. 0. 0.G 300.000 5000.000 46.26370 1 4.10205710E+00 4.86591930E-04-1.88643260E-07 3.58333420E-11-2.50990690E-15 2 1.56879580E+04 1.95525119E+00 2.83644630E+00 4.43688120E-03-4.38875220E-06 3 1.51610780E-09 3.26461950E-14 1.60013610E+04 8.34533209E+00 1.70084902E+04 4 BCL+ J 6/68B 1.CL 1.E -1. 0.G 300.000 5000.000 46.26315 1 4.10608880E+00 4.72741700E-04-1.79285840E-07 3.24161370E-11-2.05457580E-15 2 1.47130970E+05 2.64272945E+00 2.81241970E+00 4.60063920E-03-4.81199620E-06 3 1.96722160E-09-1.38378020E-13 1.47448490E+05 9.15668245E+00 1.48452806E+05 4 BCLF J12/64B 1.CL 1.F 1. 0.G 300.000 5000.000 65.26210 1 5.70767570E+00 1.41002030E-03-6.01141370E-07 1.13670440E-10-7.93680630E-15 2 -3.96933270E+04-1.53503838E+00 3.31202340E+00 7.41987630E-03-4.34859490E-06 3 -1.13740570E-09 1.37638900E-12-3.90175480E+04 1.09483563E+01-3.77402953E+04 4 BCL2 J 6/72B 1.CL 2. 0. 0.G 300.000 5000.000 81.71640 1 6.44598380E+00 5.79279480E-04-2.60497050E-07 6.35963580E-11-5.39822150E-15 2 -1.16613040E+04-4.46086977E+00 3.29747860E+00 1.20825760E-02-1.61237550E-05 3 9.62658560E-09-2.05991990E-12-1.09565370E+04 1.10425333E+01-9.56076191E+03 4 BCL2+ J12/70B 1.CL 2.E -1. 0.G 300.000 5000.000 81.71585 1 6.92666270E+00 6.77776330E-04-3.21014960E-07 6.83444220E-11-5.00735920E-15 2 7.88578220E+04-8.93462661E+00 4.27049310E+00 1.06037910E-02-1.42298380E-05 3 8.53728310E-09-1.83496710E-12 7.94360160E+04 4.07645069E+00 8.10708542E+04 4 BCL2- J 6/72B 1.CL 2.E 1. 0.G 300.000 5000.000 81.71695 1 6.35182180E+00 7.70288480E-04-4.46998630E-07 1.38311780E-10-1.32219950E-14 2 -1.97054320E+04-4.77472073E+00 3.23587910E+00 1.16902190E-02-1.47782590E-05 3 8.21815460E-09-1.56579130E-12-1.89818150E+04 1.06900104E+01-1.76125075E+04 4 BCL3 J12/64B 1.CL 3. 0. 0.G 300.000 5000.000 117.16910 1 8.59853800E+00 1.55319230E-03-6.70006020E-07 1.27891120E-10-9.00000590E-15 2 -5.13570710E+04-1.51584297E+01 3.73952650E+00 1.81058130E-02-2.13404610E-05 3 1.08283350E-08-1.73259670E-12-5.02146090E+04 9.05312747E+00-4.84628831E+04 4 BF J12/64B 1.F 1. 0. 0.G 300.000 5000.000 29.80940 1 3.57718880E+00 1.01929080E-03-4.12515640E-07 7.71964380E-11-5.34987410E-15 2 -1.51272640E+04 3.26612243E+00 3.46136090E+00-9.56854680E-04 6.01357440E-06 3 -6.49780570E-09 2.23553490E-12-1.49698200E+04 4.46077963E+00-1.39390003E+04 4 BF2 J 6/72B 1.F 2. 0. 0.G 300.000 5000.000 48.80781 1 5.44474570E+00 1.75332110E-03-7.84444740E-07 1.57198590E-10-1.13110710E-14 2 -7.28603670E+04-2.27331920E+00 3.03093030E+00 7.24110210E-03-2.82509190E-06 3 -2.89204130E-09 2.00461020E-12-7.21511020E+04 1.04457035E+01-7.09553140E+04 4 BF2+ J12/70B 1.F 2.E -1. 0.G 300.000 5000.000 48.80726 1 5.81276380E+00 1.81934240E-03-7.71034570E-07 1.44897820E-10-9.98091560E-15 2 3.67948010E+04-7.00431192E+00 3.31464740E+00 8.64436540E-03-6.75253960E-06 3 1.33836650E-09 4.51149100E-13 3.74836490E+04 5.90468978E+00 3.87993258E+04 4 BF2- J 6/72B 1.F 2.E 1. 0.G 300.000 5000.000 48.80835 1 5.31003480E+00 2.00204390E-03-9.72355100E-07 2.16414430E-10-1.66408810E-14 2 -9.83369280E+04-2.32776078E+00 3.14245810E+00 6.41045790E-03-1.23864610E-06 3 -4.12201000E-09 2.34723670E-12-9.76729640E+04 9.22523232E+00-9.64690963E+04 4 BF3 J 6/69B 1.F 3.0 0. 0.G 300.000 5000.000 67.80621 1 7.02419850E+00 3.22215590E-03-1.37051540E-06 2.59196710E-10-1.81223100E-14 2 -1.39180720E+05-1.11843009E+01 2.44682440E+00 1.52763120E-02-1.07846170E-05 3 6.89075020E-10 1.48931870E-12-1.37901350E+05 1.25678211E+01-1.36586061E+05 4 BH J12/64B 1.H 1. 0. 0.G 300.000 5000.000 11.81894 1 2.89190790E+00 1.58329460E-03-5.82617290E-07 1.02420680E-10-6.76695690E-15 2 5.23287140E+04 3.79624329E+00 3.68622060E+00-1.30554350E-03 2.67421050E-06 3 -9.10737380E-10-1.55911360E-13 5.21763300E+04-5.52454012E-02 5.32391023E+04 4 BHF2 J12/65B 1.H 1.F 2. 0.G 300.000 5000.000 49.81575 1 5.31845270E+00 4.74444660E-03-1.93378580E-06 3.55083820E-10-2.42936670E-14 2 -9.03750120E+04-3.04314031E+00 2.40536020E+00 9.27558440E-03 1.33864610E-06 3 -8.68078950E-09 4.12110150E-12-8.93884090E+04 1.28880441E+01-8.82623625E+04 4 BH2 J12/64B 1.H 2. 0. 0.G 300.000 5000.000 12.82688 1 3.36252850E+00 3.90128540E-03-1.50975510E-06 2.66728050E-10-1.77130530E-14 2 2.29190280E+04 1.25928259E+00 2.39582820E+00 7.47762600E-03-7.20195140E-06 3 4.58263980E-09-1.25106800E-12 2.31626500E+04 6.07647039E+00 2.41541598E+04 4 BH3 J12/64B 1.H 3. 0. 0.G 300.000 5000.000 13.83482 1 2.06217260E+00 7.26558950E-03-2.75103370E-06 4.78037090E-10-3.13342850E-14 2 1.19237530E+04 8.84945083E+00 3.94870330E+00-5.21705430E-04 7.64811640E-06 3 -4.61486940E-09 5.63186160E-13 1.16188090E+04-4.55174579E-02 1.28316429E+04 4 BN J 6/66B 1.N 1. 0. 0.G 300.000 5000.000 24.81774 1 3.59818320E+00 8.71768050E-04-2.99726440E-07 5.60369440E-11-4.07504210E-15 2 5.61712410E+04 4.60022525E+00 3.53750650E+00-1.35565860E-03 6.22141890E-06 3 -6.16832690E-09 1.98724610E-12 5.63297430E+04 5.56317675E+00 5.73679101E+04 4 BO J 6/68B 1.O 1. 0. 0.G 300.000 5000.000 26.81040 1 3.15649560E+00 1.38165890E-03-5.50496300E-07 9.91166780E-11-6.41645460E-15 2 -1.03034220E+03 6.03748954E+00 3.72972500E+00-2.08783240E-03 5.73628490E-06 3 -4.38948280E-09 1.09166320E-12-1.06188590E+03 3.62554104E+00-1.45402311E-01 4 BOCL J12/65B 1.O 1.CL 1. 0.G 300.000 5000.000 62.26310 1 5.71355660E+00 1.86646890E-03-7.74878980E-07 1.43985720E-10-9.93177450E-15 2 -3.99773530E+04-4.88040355E+00 3.27053210E+00 1.02277500E-02-1.20701630E-05 3 7.20255620E-09-1.69147380E-12-3.93782080E+04 7.34930225E+00-3.80417115E+04 4 BOF J12/65B 1.O 1.F 1. 0.G 200.000 6000.000 45.80880 1 5.39296603E+00 2.07444500E-03-7.93600586E-07 1.33476571E-10-8.21779331E-15 2 -7.43113852E+04-4.76500535E+00 2.23703738E+00 1.33495496E-02-1.81530614E-05 3 1.36093676E-08-4.24382397E-12-7.35283735E+04 1.10069411E+01-7.24035451E+04 4 BOF2 J12/66B 1.O 1.F 2. 0.G 300.000 5000.000 64.80721 1 7.30772330E+00 2.99036200E-03-1.30596170E-06 2.53082420E-10-1.76873330E-14 2 -1.03345760E+05-1.11924160E+01 1.74459770E+00 1.86932770E-02-1.52461640E-05 3 2.65594700E-09 1.37986060E-12-1.01867580E+05 1.73531390E+01-1.00645369E+05 4 BO2 J 6/68B 1.O 2. 0. 0.G 300.000 5000.000 42.80980 1 5.81984340E+00 1.86265740E-03-8.13027970E-07 1.57358210E-10-1.09442380E-14 2 -3.62551170E+04-6.56090797E+00 3.12120480E+00 8.46808830E-03-4.59722780E-06 3 -1.64200210E-09 1.66582330E-12-3.54833070E+04 7.54789163E+00-3.42194143E+04 4 BO2- J12/68B 1.O 2.E 1. 0.G 300.000 5000.000 42.81035 1 4.88051690E+00 2.67436510E-03-1.09321940E-06 2.00808730E-10-1.37177690E-14 2 -8.52843240E+04-3.00927640E+00 2.49163370E+00 9.74706440E-03-8.76408640E-06 3 3.58025440E-09-4.06112210E-13-8.46412180E+04 9.22689570E+00-8.35356575E+04 4 BS J 6/72B 1.S 1. 0. 0.G 300.000 5000.000 42.87700 1 3.70685420E+00 9.86828950E-04-4.74952660E-07 1.06546010E-10-8.05196430E-15 2 2.80128160E+04 4.42462090E+00 3.17420460E+00 9.85449720E-04 2.77113190E-06 3 -4.37518010E-09 1.76161790E-12 2.82306240E+04 7.53386240E+00 2.92374816E+04 4 B2 J 3/79B 2. 0. 0. 0.G 200.000 6000.000 21.62200 1 5.23869155E+00-5.23607507E-04 1.69704978E-07-2.06549042E-11 9.41435925E-16 2 9.79873828E+04-6.00742217E+00 3.79099744E+00-5.87536359E-03 3.00514162E-05 3 -3.91439173E-08 1.60419428E-11 9.87229998E+04 3.43463203E+00 9.97878648E+04 4 B2O J 6/66B 2.O 1. 0. 0.G 300.000 5000.000 37.62140 1 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5.42605970E-02-5.57507610E-05 3 2.22231280E-08-1.41812950E-12-1.99416320E+05 9.05672255E+00-1.96248045E+05 4 B3O3F3 J 3/65B 3.O 3.F 3. 0.G 300.000 5000.000 137.42641 1 1.68586160E+01 8.86857540E-03-3.78810580E-06 7.18704010E-10-5.03769170E-14 2 -2.90931040E+05-5.98587523E+01 3.07988610E+00 4.56365920E-02-3.30988260E-05 3 2.55388390E-09 4.43587610E-12-2.87122130E+05 1.14753917E+01-2.84460743E+05 4 B3O3H3 J 3/65B 3.O 3.H 3. 0.G 200.000 6000.000 83.45502 1 1.21201212E+01 1.22811209E-02-4.60922487E-06 7.65824542E-10-4.67623793E-14 2 -1.51648629E+05-3.98918007E+01 2.76989078E+00 2.53425900E-02 1.22486701E-05 3 -3.73057611E-08 1.74556897E-11-1.48431026E+05 1.15218019E+01-1.46436050E+05 4 Ba J12/70BA 1. 0. 0. 0.G 300.000 5000.000 137.32700 1 7.97305450E+00-1.11612150E-02 7.11721470E-06-1.53366730E-09 1.08767000E-13 2 1.88899660E+04-2.34876848E+01 2.50387770E+00-3.78039140E-05 1.29149660E-07 3 -1.84004090E-10 9.29348290E-14 2.07925440E+04 6.21674222E+00 2.15382161E+04 4 BaBr J12/74BA 1.BR 1. 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2.49706140E-10-1.74963390E-14 2 -5.19848760E+04-1.29255948E+01 1.71027390E+00 1.82449390E-02-1.43772530E-05 3 2.12688160E-09 1.46919930E-12-5.05123660E+04 1.52145102E+01-4.93136425E+04 4 Be3O3 J 9/63BE 3.O 3. 0. 0.G 300.000 5000.000 75.03475 1 9.19073220E+00 7.36237010E-03-3.12927290E-06 5.91625890E-10-4.13601940E-14 2 -1.30618490E+05-2.33168800E+01 2.00026920E+00 2.00051720E-02 5.75178470E-07 3 -1.70928050E-08 8.48627850E-12-1.28268670E+05 1.56209530E+01-1.26807812E+05 4 Be4O4 J 9/63BE 4.O 4. 0. 0.G 300.000 5000.000 100.04633 1 1.45470300E+01 8.19037300E-03-3.51627890E-06 6.69234570E-10-4.70059630E-14 2 -1.97048450E+05-5.14967659E+01-1.38184380E+00 5.23848280E-02-4.08930180E-05 3 4.73797070E-09 4.99541640E-12-1.92783560E+05 3.04130661E+01-1.91216780E+05 4 Br J 6/82BR 1. 0. 0. 0.G 200.000 6000.000 79.90400 1 2.08851053E+00 7.12118611E-04-2.70003073E-07 4.14986299E-11-2.31188294E-15 2 1.28568767E+04 9.07351144E+00 2.48571711E+00 1.50647525E-04-5.37267333E-07 3 7.20921065E-10-2.50205558E-13 1.27092168E+04 6.86030804E+00 1.34535890E+04 4 Br2 TPIS89BR 2. 0. 0. 0.G 200.000 6000.000 159.80800 1 5.18728187E+00-1.38651104E-03 9.34745153E-07-2.07065391E-10 1.41808517E-14 2 2.10705678E+03 7.76223394E-02 3.34331004E+00 6.35230769E-03-1.36418815E-05 3 1.31726300E-08-4.68373476E-12 2.53515408E+03 9.07940353E+00 3.71759731E+03 4 C L11/88C 1. 0. 0. 0.G 200.000 6000.000 12.01100 1 2.60558298E+00-1.95934335E-04 1.06737219E-07-1.64239390E-11 8.18705752E-16 2 8.54129443E+04 4.19238681E+00 2.55423955E+00-3.21537724E-04 7.33792245E-07 3 -7.32234889E-10 2.66521446E-13 8.54438832E+04 4.53130848E+00 8.61963002E+04 4 C+ L 7/88C 1.E -1. 0. 0.G 298.150 6000.000 12.01045 1 2.50853519E+00-1.08599270E-05 5.37069210E-09-1.18270596E-12 9.71267564E-17 2 2.16879493E+05 4.31739655E+00 2.61523966E+00-5.53783873E-04 1.06348636E-06 3 -9.23756345E-10 3.00774568E-13 2.16862053E+05 3.82652944E+00 2.17624885E+05 4 C- TPIS91C 1.E 1. 0. 0.G 298.150 6000.000 12.01155 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 6.99315654E+04 3.96340403E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 6.99315654E+04 3.96340403E+00 7.06769404E+04 4 CCL J12/69C 1.CL 1. 0. 0.G 300.000 5000.000 47.46370 1 4.09847270E+00 5.00778450E-04-2.00128330E-07 3.86809920E-11-2.54411130E-15 2 5.90765990E+04 3.35017361E+00 3.19535570E+00 2.80763180E-03-1.60438450E-06 3 -5.77440650E-10 6.14097320E-13 5.93250770E+04 8.03517321E+00 6.03875369E+04 4 CCLF3 L12/77C 1.CL 1.F 3. 0.G 298.150 5000.000 104.45891 1 1.01650960E+01 2.84600420E-03-1.09260240E-06 1.83143740E-10-1.11940590E-14 2 -8.88487500E+04-2.57041113E+01 2.90119360E+00 2.05636580E-02-8.55086360E-06 3 -1.03956450E-08 7.57218250E-12-8.68295630E+04 1.21150667E+01-8.51452700E+04 4 CCL2 J12/68C 1.CL 2. 0. 0.G 300.000 5000.000 82.91640 1 3.71849990E+00 5.34497450E-03-2.34312840E-06 4.18061770E-10-2.67652950E-14 2 2.75547930E+04 9.64597954E+00 2.85885050E+00 1.39579380E-02-2.00388980E-05 3 1.35007260E-08-3.16697150E-12 2.73639260E+04 1.22433131E+01 2.86848211E+04 4 CCL2F2 L12/77C 1.CL 2.F 2. 0.G 298.150 5000.000 120.91321 1 1.07082480E+01 2.32321860E-03-9.00732230E-07 1.52617020E-10-9.44349580E-15 2 -6.31026020E+04-2.66228765E+01 3.81349660E+00 2.00368350E-02-9.89866930E-06 3 -8.79953530E-09 7.12185520E-12-6.12535510E+04 8.99097110E+00-5.93299490E+04 4 CCL3 J 6/70C 1.CL 3. 0. 0.G 300.000 5000.000 118.36910 1 8.78154730E+00 1.35161300E-03-5.82494530E-07 1.10986970E-10-7.79372640E-15 2 6.63441510E+03-1.53161324E+01 3.71533570E+00 1.94437960E-02-2.46278410E-05 3 1.37864640E-08-2.66389340E-12 7.78200200E+03 9.71604259E+00 9.56234693E+03 4 CCL3F L12/77C 1.CL 3.F 1. 0.G 298.150 5000.000 137.36750 1 1.12465300E+01 1.78376980E-03-6.92604430E-07 1.17407240E-10-7.26402920E-15 2 -3.81083090E+04-2.82759858E+01 4.82876870E+00 1.89817400E-02-1.03606620E-05 3 -7.84721270E-09 6.84527520E-12-3.64461840E+04 4.63413730E+00-3.42694620E+04 4 CCL4 L12/81C 1.CL 4. 0. 0.G 298.150 5000.000 153.82180 1 1.17390960E+01 1.28375530E-03-4.96502590E-07 8.35250200E-11-5.11072240E-15 2 -1.54190900E+04-3.07778187E+01 5.79662990E+00 1.79774390E-02-1.09565460E-05 3 -6.66818070E-09 6.45548980E-12-1.39409650E+04-5.56959635E-01-1.15237980E+04 4 CF J 6/70C 1.F 1. 0. 0.G 300.000 5000.000 31.00940 1 3.68696790E+00 9.11434910E-04-3.64638550E-07 6.74828540E-11-4.52695960E-15 2 2.94781250E+04 4.17451009E+00 3.46551430E+00-6.87798050E-04 5.67847660E-06 3 -6.45829820E-09 2.29882480E-12 2.96555980E+04 5.88135489E+00 3.06967621E+04 4 CF+ J12/70C 1.F 1.E -1. 0.G 298.150 6000.000 31.00885 1 3.67596084E+00 8.52823073E-04-3.06755661E-07 4.97430057E-11-2.83969038E-15 2 1.37018878E+05 2.84608813E+00 3.58285095E+00-1.86390930E-03 8.53435341E-06 3 -9.32378062E-09 3.33941713E-12 1.37198248E+05 4.07439000E+00 1.38242181E+05 4 CF2 J 6/70C 1.F 2. 0. 0.G 300.000 5000.000 50.00781 1 5.22671420E+00 2.08376800E-03-9.90372780E-07 2.12648480E-10-1.58311140E-14 2 -2.37558470E+04-1.91090423E+00 2.76888210E+00 7.23729620E-03-1.60281520E-06 3 -4.55123790E-09 2.66480110E-12-2.30157860E+04 1.11376958E+01-2.18904653E+04 4 CF2+ J12/70C 1.F 2.E -1. 0.G 300.000 5000.000 50.00726 1 5.15542300E+00 2.05283100E-03-9.11739110E-07 1.82727610E-10-1.32136400E-14 2 1.11431220E+05-7.78766841E-01 2.97835220E+00 6.03366020E-03 6.58587850E-10 3 -5.21294490E-09 2.66630210E-12 1.12126750E+05 1.09515563E+01 1.13273886E+05 4 CF3 J 6/69C 1.F 3. 0. 0.G 300.000 5000.000 69.00621 1 7.20126220E+00 3.06639350E-03-1.31441810E-06 2.49969250E-10-1.75509280E-14 2 -5.92386310E+04-1.09457100E+01 2.06501680E+00 1.64241580E-02-1.08381460E-05 3 -8.53179970E-10 2.38780700E-12-5.78119760E+04 1.57046930E+01-5.65626016E+04 4 CF3+ J12/71C 1.F 3.E -1. 0.G 300.000 5000.000 69.00566 1 7.02254060E+00 3.24412710E-03-1.38648750E-06 2.63236370E-10-1.84644020E-14 2 4.80223180E+04-1.12065339E+01 2.26055760E+00 1.54223230E-02-9.89566740E-06 3 -7.83450460E-10 2.12118920E-12 4.93653380E+04 1.35784551E+01 5.06368231E+04 4 CF4 L 6/83C 1.F 4. 0. 0.G 200.000 6000.000 88.00461 1 9.47215359E+00 3.59525216E-03-1.40378502E-06 2.39188188E-10-1.48558906E-14 2 -1.15816337E+05-2.49709091E+01 1.05143992E+00 2.78246468E-02-2.46525260E-05 3 6.74548304E-09 9.18909316E-13-1.13574067E+05 1.81900899E+01-1.12227900E+05 4 CH TPIS79C 1.H 1. 0. 0.G 200.000 6000.000 13.01894 1 2.52090627E+00 1.76537235E-03-4.61475705E-07 5.92885472E-11-3.34731962E-15 2 7.11314363E+04 7.40532163E+00 3.48981665E+00 3.23835541E-04-1.68899065E-06 3 3.16217327E-09-1.40609067E-12 7.07972934E+04 2.08401108E+00 7.18428386E+04 4 CH+ TPIS91C 1.H 1.E -1. 0.G 298.150 6000.000 13.01839 1 4.53726693E+00-2.05165403E-03 1.69587170E-06-3.51097709E-10 2.22129197E-14 2 1.94661079E+05-5.02782224E+00 3.53796552E+00-7.59260194E-05-6.09566708E-07 3 2.00819522E-09-1.00806821E-12 1.95057229E+05 5.23237838E-01 1.96106806E+05 4 CHCL TPIS79C 1.H 1.CL 1. 0.G 298.150 5000.000 48.47164 1 5.15660360E+00 4.58883250E-04 4.47490230E-07-1.36067870E-10 1.02424450E-14 2 3.53105770E+04-1.75116146E+00 2.96136110E+00 6.11519160E-03-4.52031800E-06 3 1.30933890E-09 7.15780860E-14 3.59599830E+04 9.74349584E+00 3.70773980E+04 4 CHCLF2 L12/77C 1.H 1.CL 1.F 2.G 298.150 5000.000 86.46845 1 7.90298270E+00 4.62519000E-03-1.64898670E-06 2.59104290E-10-1.48362120E-14 2 -6.12342660E+04-1.37342976E+01 2.46811200E+00 1.58839450E-02-2.82090150E-06 3 -1.04781320E-08 6.07048960E-12-5.95708790E+04 1.51934234E+01-5.81725370E+04 4 CHCL2F L12/77C 1.H 1.CL 2.F 1.G 298.150 5000.000 102.92274 1 8.50839230E+00 4.03457130E-03-1.42682260E-06 2.22473030E-10-1.26301730E-14 2 -3.74279100E+04-1.54116621E+01 3.11071590E+00 1.62958910E-02-4.73311870E-06 3 -9.47981600E-09 6.13237500E-12-3.58622110E+04 1.29638499E+01-3.42694620E+04 4 CHCL3 X 6/81C 1.H 1.CL 3. 0.G 298.150 5000.000 119.37704 1 8.99380300E+00 3.56521920E-03-1.25376480E-06 1.94791310E-10-1.10320210E-14 2 -1.56090000E+04-1.76316998E+01 3.68198010E+00 1.66110210E-02-6.61808010E-06 3 -8.12915600E-09 5.94331350E-12-1.41418440E+04 9.98349958E+00-1.23792770E+04 4 CHF3 L 6/81C 1.H 1.F 3. 0.G 298.150 5000.000 70.01415 1 7.38702490E+00 5.12669240E-03-1.83717750E-06 2.90046430E-10-1.66920890E-14 2 -8.63674380E+04-1.36102612E+01 1.78570940E+00 1.59611290E-02-1.55750150E-06 3 -1.13669110E-08 6.12752900E-12-8.45911250E+04 1.64575908E+01-8.33829360E+04 4 CH2 L11/89C 1.H 2. 0. 0.G 200.000 6000.000 14.02688 1 2.77723166E+00 3.83663476E-03-1.34853220E-06 2.11641255E-10-1.23445662E-14 2 4.58590304E+04 6.67286429E+00 3.74484879E+00 1.17960823E-03 1.94502264E-06 3 -2.52932506E-09 1.12447631E-12 4.55799523E+04 1.62850125E+00 4.67616252E+04 4 CH2CLF L12/77C 1.H 2.CL 1.F 1.G 298.150 5000.000 68.47798 1 5.95727830E+00 6.08797000E-03-2.08137590E-06 3.13462150E-10-1.70848780E-14 2 -3.42807810E+04-4.87988626E+00 2.09755330E+00 1.25518960E-02 2.71470360E-07 3 -9.13198410E-09 4.47135730E-12-3.29736170E+04 1.61681723E+01-3.18036710E+04 4 CH2CL2 L12/81C 1.H 2.CL 2. 0.G 298.150 5000.000 84.93228 1 6.49912830E+00 5.56723400E-03-1.88874490E-06 2.82333930E-10-1.52568690E-14 2 -1.40488130E+04-7.01156159E+00 2.36261270E+00 1.38855320E-02-2.08721670E-06 3 -8.66561580E-09 4.94943150E-12-1.27612300E+04 1.50849058E+01-1.14734760E+04 4 CH2F2 L 6/81C 1.H 2.F 2. 0.G 298.150 5000.000 52.02369 1 5.29831120E+00 6.75680120E-03-2.34015530E-06 3.57223810E-10-1.97899860E-14 2 -5.67992150E+04-3.52851131E+00 1.92640780E+00 1.05290970E-02 3.46599150E-06 3 -9.68559990E-09 3.81653220E-12-5.55053950E+04 1.54769392E+01-5.44486890E+04 4 CH3 L11/89C 1.H 3. 0. 0.G 200.000 6000.000 15.03482 1 2.96866033E+00 5.80717546E-03-1.97778534E-06 3.07278752E-10-1.78853897E-14 2 1.65388869E+04 4.77944503E+00 3.67359040E+00 2.01095175E-03 5.73021856E-06 3 -6.87117425E-09 2.54385734E-12 1.64449988E+04 1.60456433E+00 1.76679083E+04 4 CH3CL L12/81C 1.H 3.CL 1. 0.G 298.150 5000.000 50.48752 1 4.29529860E+00 7.28468220E-03-2.41611910E-06 3.52058380E-10-1.84061850E-14 2 -1.17934650E+04 8.59296529E-01 2.06724450E+00 9.20915230E-03 3.04260540E-06 3 -8.03420620E-09 3.21274430E-12-1.08968830E+04 1.35839517E+01-9.85813150E+03 4 CH3F L 6/81C 1.H 3.F 1. 0.G 298.150 5000.000 34.03322 1 3.62565230E+00 7.96836990E-03-2.68453190E-06 3.98411080E-10-2.13486390E-14 2 -3.03724800E+04 3.06990342E+00 2.26510240E+00 6.07338550E-03 6.98254100E-06 3 -8.13809110E-09 2.10363410E-12-2.95776640E+04 1.18439594E+01-2.85841050E+04 4 CH2OH L12/92C 1.H 3.O 1. 0.G 200.000 6000.000 31.03422 1 4.67625639E+00 6.56406014E-03-2.26525471E-06 3.55602481E-10-2.08626190E-14 2 -2.89248574E+03 4.87737005E-01 3.86388918E+00 5.59672304E-03 5.93271791E-06 3 -1.04532012E-08 4.36967278E-12-2.50501367E+03 5.47302243E+00-1.07041786E+03 4 CH3O L10/92C 1.H 3.O 1. 0.G 200.000 6000.000 31.03422 1 4.26676538E+00 7.85380110E-03-2.83739943E-06 4.59039659E-10-2.74426084E-14 2 -3.40073227E+02 3.85637447E-01 3.26524894E+00 3.30300117E-03 1.70493964E-05 3 -2.27104476E-08 8.80756520E-12 3.33281488E+02 7.42568040E+00 1.56353171E+03 4 CH4 L 8/88C 1.H 4. 0. 0.G 200.000 6000.000 16.04276 1 1.63552643E+00 1.00842795E-02-3.36916254E-06 5.34958667E-10-3.15518833E-14 2 -1.00056455E+04 9.99313326E+00 5.14987613E+00-1.36709788E-02 4.91800599E-05 3 -4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00-8.97226656E+03 4 CH3OH L 8/88C 1.H 4.O 1. 0.G 200.000 6000.000 32.04216 1 3.60134486E+00 1.02430954E-02-3.59985517E-06 5.72505986E-10-3.39117640E-14 2 -2.59971910E+04 4.70512253E+00 5.71539582E+00-1.52309129E-02 6.52441155E-05 3 -7.10806889E-08 2.61352698E-11-2.56427656E+04-1.50409823E+00-2.41673893E+04 4 CN TPIS91C 1.N 1. 0. 0.G 200.000 6000.000 26.01774 1 3.74818333E+00 3.91753271E-05 2.99702996E-07-6.92704532E-11 4.46137691E-15 2 5.17278419E+04 2.77469044E+00 3.61293502E+00-9.55513275E-04 2.14429765E-06 3 -3.15163270E-10-4.64303546E-13 5.19007958E+04 3.98049947E+00 5.29536254E+04 4 CN+ TPIS91C 1.N 1.E -1. 0.G 298.150 6000.000 26.01719 1 7.29006713E+00-2.46331139E-03 9.03599308E-07-1.35970586E-10 7.33709859E-15 2 2.13579081E+05-1.91340386E+01 6.92808505E+00-2.81492178E-02 7.58511376E-05 3 -7.24174336E-08 2.33891503E-11 2.15195507E+05-1.01730500E+01 2.16548044E+05 4 CN- L10/92C 1.N 1.E 1. 0.G 298.150 6000.000 26.01829 1 3.09051928E+00 1.33181759E-03-4.84902266E-07 7.96865228E-11-4.82770916E-15 2 6.88195665E+03 5.63128343E+00 3.81962846E+00-2.48247316E-03 6.04567838E-06 3 -4.52733194E-09 1.15679167E-12 6.80256336E+03 2.38904403E+00 7.87605980E+03 4 CNN L12/89C 1.N 2. 0. 0.G 200.000 6000.000 40.02448 1 4.86658084E+00 2.38499612E-03-8.52577832E-07 1.38423853E-10-8.18423116E-15 2 7.45586920E+04-6.77587146E-01 2.78240849E+00 1.25533110E-02-2.13082026E-05 3 1.90941637E-08-6.59244187E-12 7.49551651E+04 9.10634736E+00 7.61890601E+04 4 CO TPIS79C 1.O 1. 0. 0.G 200.000 6000.000 28.01040 1 3.04848583E+00 1.35172818E-03-4.85794075E-07 7.88536486E-11-4.69807489E-15 2 -1.42661171E+04 6.01709790E+00 3.57953347E+00-6.10353680E-04 1.01681433E-06 3 9.07005884E-10-9.04424499E-13-1.43440860E+04 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1.19479920E-02-1.37943700E-05 3 8.07077360E-09-1.83276530E-12-1.78039870E+04 1.08058688E+01-1.66455205E+04 4 CO2 L 7/88C 1.O 2. 0. 0.G 200.000 6000.000 44.00980 1 4.63659493E+00 2.74131991E-03-9.95828531E-07 1.60373011E-10-9.16103468E-15 2 -4.90249341E+04-1.93534855E+00 2.35677352E+00 8.98459677E-03-7.12356269E-06 3 2.45919022E-09-1.43699548E-13-4.83719697E+04 9.90105222E+00-4.73281047E+04 4 CO2+ L10/92C 1.O 2.E -1. 0.G 298.150 6000.000 44.00925 1 5.61292513E+00 1.89829994E-03-7.34596383E-07 1.23975665E-10-7.57692288E-15 2 1.11621136E+05-5.65135698E+00 3.39305653E+00 5.82300415E-03 4.38012075E-08 3 -4.68236271E-09 2.31552825E-12 1.12356151E+05 6.39038553E+00 1.13618832E+05 4 COOH TPIS91C 1.O 2.H 1. 0.G 200.000 6000.000 45.01774 1 5.39206247E+00 4.11221305E-03-1.48194817E-06 2.39875278E-10-1.43902965E-14 2 -2.76708786E+04-2.23528631E+00 2.92207915E+00 7.62453820E-03 3.29884683E-06 3 -1.07135249E-08 5.11587309E-12-2.68383588E+04 1.12925989E+01-2.56178656E+04 4 CP L 9/93C 1.P 1. 0. 0.G 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7.97421015E-01-1.96258641E+00 5.76815310E-02-1.58037735E-04 3 1.72460636E-07-6.57905286E-11 9.89883317E+04 2.33198418E+01 9.98804500E+04 4 C2+ TPIS91C 2.E -1. 0. 0.G 298.150 6000.000 24.02145 1 1.47436235E+00 3.90858415E-03-1.15362712E-06 1.28522790E-10-4.37160939E-15 2 2.40801585E+05 1.56570956E+01 3.74438466E+00-2.75060804E-03 9.41697986E-06 3 -9.54472049E-09 3.48743458E-12 2.40057573E+05 3.70168864E+00 2.41117688E+05 4 C2- TPIS91C 2.E 1. 0. 0.G 298.150 6000.000 24.02255 1 1.94147766E+00 3.34554328E-03-1.21401317E-06 1.86836326E-10-1.03447699E-14 2 5.72696669E+04 1.20032530E+01 3.82038230E+00-2.88162408E-03 8.21923044E-06 3 -7.32254863E-09 2.41405929E-12 5.67523968E+04 2.43181238E+00 5.78226498E+04 4 C2CL2 J12/68C 2.CL 2. 0. 0.G 300.000 5000.000 94.92740 1 8.17285470E+00 2.36598920E-03-9.65525050E-07 1.77361480E-10-1.21352030E-14 2 2.25101900E+04-1.49035905E+01 5.02294820E+00 1.40826670E-02-1.80956690E-05 3 1.16103480E-08-2.88174780E-12 2.32274820E+04 6.09995206E-01 2.52127141E+04 4 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1.50978852E+04 4 CHCO,ketyl L 6/89C 2.H 1.O 1. 0.G 200.000 6000.000 41.02934 1 4.26038110E+00 4.82740500E-03-1.66618844E-06 2.61405204E-10-1.53257963E-14 2 1.78804760E+04 3.97874320E+00 2.76593971E+00 1.41741202E-02-2.32600986E-05 3 2.15728089E-08-7.58509308E-12 1.80856324E+04 1.05408591E+01 1.93738416E+04 4 C2H2,acetylene L 1/91C 2.H 2. 0. 0.G 200.000 6000.000 26.03788 1 4.65878504E+00 4.88396547E-03-1.60828775E-06 2.46974226E-10-1.38605680E-14 2 2.57594044E+04-3.99834772E+00 8.08681094E-01 2.33615629E-02-3.55171815E-05 3 2.80152437E-08-8.50072974E-12 2.64289807E+04 1.39397051E+01 2.74459950E+04 4 C2H2,vinylidene L12/89C 2.H 2. 0. 0.G 200.000 6000.000 26.03788 1 4.27807139E+00 4.75622883E-03-1.63007513E-06 2.54622981E-10-1.48860326E-14 2 4.83166722E+04 6.40022600E-01 3.28154933E+00 6.97642740E-03-2.38528283E-06 3 -1.21077045E-09 9.82038579E-13 4.86217943E+04 5.92039169E+00 4.98872655E+04 4 CH2CO,ketene L 5/90C 2.H 2.O 1. 0.G 200.000 6000.000 42.03728 1 5.75793307E+00 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4.52144830E-06 3 -9.00946160E-09 3.19371790E-12-4.10850780E+03 1.12420212E+01-2.71844485E+03 4 C2H4 L 1/91C 2.H 4. 0. 0.G 200.000 6000.000 28.05376 1 3.99182761E+00 1.04833910E-02-3.71721385E-06 5.94628514E-10-3.53630526E-14 2 4.26865819E+03-2.69052151E-01 3.95920148E+00-7.57052247E-03 5.70990292E-05 3 -6.91588753E-08 2.69884373E-11 5.08977593E+03 4.09733096E+00 6.31426266E+03 4 C2H4O,ethylen o L 8/88C 2.H 4.O 1. 0.G 200.000 6000.000 44.05316 1 5.48888429E+00 1.20460231E-02-4.33361545E-06 7.00269000E-10-4.19481870E-14 2 -9.18047576E+03-7.08063868E+00 3.75904931E+00-9.44119292E-03 8.03096770E-05 3 -1.00807756E-07 4.00398357E-11-7.56081402E+03 7.84977030E+00-6.33046566E+03 4 CH3CHO,ethanal L 8/88C 2.H 4.O 1. 0.G 200.000 6000.000 44.05316 1 5.40417899E+00 1.17229675E-02-4.22626830E-06 6.83715733E-10-4.09842676E-14 2 -2.25931508E+04-3.48117593E+00 4.72947627E+00-3.19343161E-03 4.75353505E-05 3 -5.74590474E-08 2.19312619E-11-2.15728799E+04 4.10295455E+00-1.99879488E+04 4 CH3COOH L 8/88C 2.H 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-1.24473512E+04-9.68683607E-01 4.29142492E+00-5.50154270E-03 5.99438288E-05 3 -7.08466285E-08 2.68685771E-11-1.15222055E+04 2.66682316E+00-1.00849652E+04 4 CH3N2CH3 L 8/88C 2.H 6.N 2. 0.G 200.000 6000.000 58.08312 1 7.44954851E+00 1.74406153E-02-6.27382453E-06 1.01351178E-09-6.06937494E-14 2 1.41979978E+04-1.41567638E+01 6.29613632E+00-2.25815427E-03 6.21232803E-05 3 -7.46292997E-08 2.80371947E-11 1.56928850E+04-2.49925915E+00 1.78843203E+04 4 CH3OCH3 L12/92C 2.H 6.O 1. 0.G 200.000 6000.000 46.06904 1 5.64844183E+00 1.63381899E-02-5.86802367E-06 9.46836869E-10-5.66504738E-14 2 -2.51074690E+04-5.96264939E+00 5.30562279E+00-2.14254272E-03 5.30873244E-05 3 -6.23147136E-08 2.30731036E-11-2.39866295E+04 7.13264209E-01-2.21432171E+04 4 C2H5OH L 8/88C 2.H 6.O 1. 0.G 200.000 6000.000 46.06904 1 6.56289770E+00 1.52034264E-02-5.38922247E-06 8.62150224E-10-5.12824683E-14 2 -3.15257984E+04-9.47557644E+00 4.85868178E+00-3.74006740E-03 6.95550267E-05 3 -8.86541147E-08 3.51684430E-11-2.99961309E+04 4.80192294E+00-2.82578288E+04 4 CCN L12/92C 2.N 1. 0. 0.G 200.000 6000.000 38.02874 1 5.53594940E+00 1.93336181E-03-7.43007993E-07 1.25654167E-10-7.70420035E-15 2 9.49028065E+04-3.70380637E+00 3.67600724E+00 7.88842348E-03-9.55326639E-06 3 7.31344088E-09-2.48035202E-12 9.54195535E+04 5.81651950E+00 9.67950500E+04 4 CNC TPIS91C 2.N 1. 0. 0.G 200.000 6000.000 38.02874 1 5.93259696E+00 1.57914754E-03-6.12333532E-07 1.03869610E-10-6.43161897E-15 2 8.03326833E+04-6.60207157E+00 3.98958871E+00 5.21977832E-03-5.81083706E-07 3 -3.39416520E-09 1.76273084E-12 8.09656357E+04 3.88721926E+00 8.23761254E+04 4 C2N2 TPIS79C 2.N 2. 0. 0.G 200.000 6000.000 52.03548 1 6.70544769E+00 3.64260339E-03-1.30934250E-06 2.16411061E-10-1.31187410E-14 2 3.48608005E+04-1.04803695E+01 2.32925325E+00 2.61537847E-02-4.90003994E-05 3 4.61917478E-08-1.64323855E-11 3.56684424E+04 9.86336227E+00 3.71759731E+04 4 C2O L12/89C 2.O 1. 0. 0.G 200.000 6000.000 40.02140 1 5.51576444E+00 1.87745704E-03-7.01159757E-07 1.21505291E-10-7.76778855E-15 2 3.30970458E+04-4.27636138E+00 2.86345422E+00 1.19732969E-02-1.81232501E-05 3 1.53813634E-08-5.28906524E-12 3.37500945E+04 8.89405881E+00 3.50037906E+04 4 C3 TPIS79C 3. 0. 0. 0.G 200.000 6000.000 36.03300 1 4.80357768E+00 2.14511233E-03-1.07292074E-06 2.60735259E-10-2.01631960E-14 2 9.93965416E+04 3.89369308E-01 5.43283963E+00-4.46754383E-03 1.49321482E-05 3 -1.47953138E-08 5.01421112E-12 9.94957222E+04-1.58720715E+00 1.01022009E+05 4 C3H3,propargyl BUR 92C 3.H 3. 0. 0.G 200.000 6000.000 39.05682 1 6.64175821E+00 8.08587428E-03-2.84787887E-06 4.53525977E-10-2.68879815E-14 2 3.89793699E+04-1.04004255E+01 1.82840766E+00 2.37839036E-02-2.19228176E-05 3 1.00067444E-08-1.38984644E-12 4.01863058E+04 1.38447957E+01 4.16139977E+04 4 C3H4,allene L12/92C 3.H 4. 0. 0.G 200.000 6000.000 40.06476 1 6.31694869E+00 1.11336262E-02-3.96289018E-06 6.35633775E-10-3.78749885E-14 2 2.01174617E+04-1.09718862E+01 2.61307487E+00 1.21223371E-02 1.85405400E-05 3 -3.45258475E-08 1.53353389E-11 2.15415642E+04 1.02503319E+01 2.29622672E+04 4 C3H4,propyne L12/92C 3.H 4. 0. 0.G 200.000 6000.000 40.06476 1 6.02531092E+00 1.13364427E-02-4.02229048E-06 6.43751365E-10-3.82990082E-14 2 1.95101792E+04-8.58912592E+00 2.68040760E+00 1.57994429E-02 2.50775737E-06 3 -1.36584584E-08 6.61576607E-12 2.06916392E+04 9.89251047E+00 2.21913258E+04 4 C3H4,cyclo- L 5/90C 3.H 4. 0. 0.G 200.000 6000.000 40.06476 1 6.28078730E+00 1.12393819E-02-4.01957526E-06 6.46920648E-10-3.86433248E-14 2 3.03415086E+04-1.11419945E+01 2.24666553E+00 5.76238084E-03 4.42080305E-05 3 -6.62906786E-08 2.81824730E-11 3.21284389E+04 1.33451837E+01 3.33272797E+04 4 C3H5,allyl BUR 92C 3.H 5. 0. 0.G 200.000 6000.000 41.07270 1 6.54761132E+00 1.33152246E-02-4.78333100E-06 7.71949814E-10-4.61930808E-14 2 1.72714707E+04-9.27486841E+00 3.78794693E+00 9.48414335E-03 2.42343368E-05 3 -3.65604010E-08 1.48592356E-11 1.86261218E+04 7.82822499E+00 2.03259122E+04 4 C3H6,propylene L 7/90C 3.H 6. 0. 0.G 200.000 6000.000 42.08064 1 6.03870499E+00 1.62963895E-02-5.82130624E-06 9.35936483E-10-5.58602903E-14 2 -7.76595092E+02-8.43824322E+00 3.83464524E+00 3.29078405E-03 5.05228184E-05 3 -6.66251418E-08 2.63707585E-11 7.53838295E+02 7.53410995E+00 2.37055461E+03 4 C3H6,cyclo- L 1/93C 3.H 6. 0. 0.G 200.000 6000.000 42.08064 1 6.21663293E+00 1.65393614E-02-5.90075961E-06 9.48095473E-10-5.65661737E-14 2 2.95937555E+03-1.36040607E+01 2.83278555E+00-5.21027462E-03 9.29582837E-05 3 -1.22753146E-07 4.99191154E-11 5.19520057E+03 1.08306700E+01 6.41047999E+03 4 C3H6O L 6/90C 3.H 6.O 1. 0.G 200.000 6000.000 58.08004 1 7.94555710E+00 1.74061678E-02-6.25436463E-06 1.00975457E-09-6.04488953E-14 2 -1.52867683E+04-1.84184133E+01 3.56851051E+00 5.02717292E-03 6.42315607E-05 3 -8.90229548E-08 3.62423766E-11-1.29679205E+04 9.88838229E+00-1.12718609E+04 4 C3H7,n-propyl L 6/90C 3.H 7. 0. 0.G 200.000 6000.000 43.08858 1 6.96468462E+00 1.75451946E-02-6.23370055E-06 9.98529735E-10-5.94394793E-14 2 8.54244358E+03-1.14831478E+01 4.03239996E+00 3.42728312E-03 6.14344420E-05 3 -8.37646338E-08 3.40857776E-11 1.03393839E+04 8.77428079E+00 1.20873028E+04 4 C3H7,i-propyl L 9/85C 3.H 7. 0. 0.G 200.000 6000.000 43.08858 1 5.75125882E+00 1.87605762E-02-6.70191976E-06 1.07751871E-09-6.43090885E-14 2 7.97977293E+03-4.91359355E+00 5.40872872E+00-8.55221825E-03 8.42178491E-05 3 -1.00942683E-07 3.86914479E-11 9.42600956E+03 3.62322504E+00 1.12213468E+04 4 C3H8 L 6/90C 3.H 8. 0. 0.G 200.000 6000.000 44.09652 1 6.66789363E+00 2.06120214E-02-7.36553027E-06 1.18440761E-09-7.06953210E-14 2 -1.62748521E+04-1.31859503E+01 4.21102620E+00 1.71599803E-03 7.06183472E-05 3 -9.19594116E-08 3.64421372E-11-1.43812106E+04 5.60930491E+00-1.25900384E+04 4 C3H8O,1propanol L 9/88C 3.H 8.O 1. 0.G 200.000 6000.000 60.09592 1 8.71010929E+00 2.08051473E-02-7.38480898E-06 1.18188977E-09-7.03597783E-14 2 -3.51244024E+04-1.88965453E+01 5.27799420E+00 8.08660546E-04 8.21548179E-05 3 -1.08488185E-07 4.34886897E-11-3.28348774E+04 5.70526835E+00-3.06933301E+04 4 C3H8O,2propanol L 9/88C 3.H 8.O 1. 0.G 200.000 6000.000 60.09592 1 9.64271113E+00 2.00224413E-02-7.11948364E-06 1.14136355E-09-6.79921667E-14 2 -3.74840095E+04-2.56346074E+01 4.30803027E+00 1.02498010E-02 6.19857805E-05 3 -9.03311088E-08 3.74065372E-11-3.49248843E+04 7.55826254E+00-3.27980843E+04 4 C3O2 L 7/88C 3.O 2. 0. 0.G 200.000 6000.000 68.03180 1 8.46175920E+00 4.81552825E-03-1.80930759E-06 3.00787080E-10-1.83722162E-14 2 -1.43271654E+04-1.70605688E+01 2.19668211E+00 3.14553138E-02-5.07458623E-05 3 4.35794398E-08-1.47351787E-11-1.29460980E+04 1.32985264E+01-1.12622391E+04 4 C4 L 7/88C 4. 0. 0. 0.G 200.000 6000.000 48.04400 1 5.63091494E+00 4.83116397E-03-1.50405642E-06 2.02872357E-10-1.00345687E-14 2 1.22500879E+05-2.98954731E+00 3.32273482E+00 2.02596453E-02-3.73466071E-05 3 3.56878255E-08-1.27727382E-11 1.22723638E+05 6.80994829E+00 1.24349329E+05 4 C4H2 L 2/93C 4.H 2. 0. 0.G 200.000 6000.000 50.05988 1 8.66704895E+00 6.71505191E-03-2.35355060E-06 3.73635366E-10-2.21054043E-14 2 5.10016978E+04-2.18002050E+01-4.07132393E-01 5.20775143E-02-9.21138340E-05 3 8.08657403E-08-2.70422080E-11 5.25957367E+04 2.03240223E+01 5.41222513E+04 4 C4H4,1,3-cyclo- L 5/90C 4.H 4. 0. 0.G 200.000 6000.000 52.07576 1 8.04207751E+00 1.25202174E-02-4.52337047E-06 7.33120443E-10-4.40110864E-14 2 4.25108494E+04-2.11284483E+01 1.27895318E+00 1.34203350E-02 4.11992063E-05 3 -6.98956727E-08 3.07252120E-11 4.50864097E+04 1.76787788E+01 4.63045928E+04 4 C4H6,butadiene X10/92C 4.H 6. 0. 0.G 200.000 6000.000 54.09164 1 1.60010139E+01 3.91825115E-03 1.14355733E-06-2.07925748E-10 7.57713551E-15 2 6.51708221E+03-6.28204145E+01 1.68530424E+00 1.96120012E-02 4.46523571E-05 3 -8.31523114E-08 3.80651226E-11 1.16075709E+04 1.67545967E+01 1.32298837E+04 4 C4H6,2-butyne X10/88C 4.H 6. 0. 0.G 200.000 6000.000 54.09164 1 6.93232090E+00 1.86425873E-02-6.82359104E-06 1.11910485E-09-6.76783113E-14 2 1.40309558E+04-1.22084283E+01 5.42481699E+00 2.65380004E-03 5.30443281E-05 3 -6.71392095E-08 2.58190081E-11 1.54641216E+04 5.40967409E-01 1.75476366E+04 4 C4H6,cyclo- L 5/90C 4.H 6. 0. 0.G 200.000 6000.000 54.09164 1 7.84858253E+00 1.80812892E-02-6.53186644E-06 1.05842123E-09-6.35253939E-14 2 1.46153461E+04-2.08980257E+01 2.91633433E+00-3.20584810E-03 1.00263571E-04 3 -1.34248167E-07 5.46670100E-11 1.74732236E+04 1.24817183E+01 1.88465706E+04 4 C4H8,1-butene X 4/88C 4.H 8. 0. 0.G 200.000 6000.000 56.10752 1 8.02147991E+00 2.26010707E-02-8.31284033E-06 1.37803072E-09-8.42175459E-14 2 -4.30852153E+03-1.71170697E+01 4.42674073E+00 6.63946249E-03 6.80652815E-05 3 -9.28753562E-08 3.73473949E-11-2.11532796E+03 7.54694860E+00-6.49467016E+01 4 C4H8,cis2-buten X 4/88C 4.H 8. 0. 0.G 200.000 6000.000 56.10752 1 7.08335025E+00 2.34982430E-02-8.64483079E-06 1.43160107E-09-8.73762642E-14 2 -4.92320266E+03-1.28709317E+01 5.44417817E+00-5.20451694E-03 9.62906577E-05 3 -1.20068814E-07 4.68194825E-11-2.91741472E+03 3.46050733E+00-8.90010355E+02 4 C4H8,tr2-butene X 4/88C 4.H 8. 0. 0.G 200.000 6000.000 56.10752 1 7.62514670E+00 2.30451042E-02-8.49424864E-06 1.41152554E-09-8.64751757E-14 2 -5.40102815E+03-1.61987080E+01 5.57278967E+00 3.76541017E-03 6.52226708E-05 3 -8.30909522E-08 3.20311342E-11-3.57903301E+03 5.37796708E-01-1.32298837E+03 4 C4H8,isobutene X 4/88C 4.H 8. 0. 0.G 200.000 6000.000 56.10752 1 7.83555330E+00 2.27459679E-02-8.36517549E-06 1.39076250E-09-8.53329969E-14 2 -6.16356322E+03-1.76540719E+01 3.68049727E+00 1.69414445E-02 3.51963555E-05 3 -5.43166856E-08 2.20201636E-11-4.12099308E+03 8.11457149E+00-2.05664555E+03 4 C4H8,cyclo- L 5/90C 4.H 8. 0. 0.G 200.000 6000.000 56.10752 1 7.76331054E+00 2.30653350E-02-8.25983758E-06 1.33412389E-09-7.99363302E-14 2 -1.17672008E+03-2.19148211E+01 3.81144720E+00-9.68049998E-03 1.27917694E-04 3 -1.63057125E-07 6.48314790E-11 1.87107930E+03 8.60998196E+00 3.41571542E+03 4 (CH3COOH)2 L 6/90C 4.H 8.O 4. 0.G 200.000 6000.000 120.10512 1 1.58245208E+01 2.61835117E-02-9.46098358E-06 1.53337616E-09-9.20476545E-14 2 -1.19039141E+05-5.11097617E+01 7.75481743E+00 1.38918897E-02 8.32955609E-05 3 -1.20021855E-07 4.90679645E-11-1.15185669E+05-1.22446814E+00-1.11734228E+05 4 C4H9,n-butyl X10/84C 4.H 9. 0. 0.G 200.000 6000.000 57.11546 1 9.18975615E+00 2.36322267E-02-8.64270985E-06 1.42770515E-09-8.70203716E-14 2 3.37702909E+03-2.15600560E+01 5.82430540E+00 5.50309080E-03 7.49300330E-05 3 -1.02085943E-07 4.13484714E-11 5.54078049E+03 2.17609509E+00 8.00167418E+03 4 C4H9,i-butyl X10/84C 4.H 9. 0. 0.G 200.000 6000.000 57.11546 1 9.43040607E+00 2.34271349E-02-8.53599182E-06 1.39748355E-09-8.44057456E-14 2 2.14214862E+03-2.42207994E+01 3.54885235E+00 1.78747638E-02 5.00782825E-05 3 -7.94475071E-08 3.35802354E-11 4.74011588E+03 1.11849382E+01 6.89397210E+03 4 C4H9,s-butyl L 1/93C 4.H 9. 0. 0.G 200.000 6000.000 57.11546 1 8.42611939E+00 2.39379265E-02-8.56035783E-06 1.37735160E-09-8.22496005E-14 2 3.96484253E+03-1.69876875E+01 5.03930607E+00 4.09387100E-04 9.15574112E-05 3 -1.19411713E-07 4.75043987E-11 6.42327236E+03 8.24360444E+00 8.53928854E+03 4 C4H9,t-butyl L 1/93C 4.H 9. 0. 0.G 200.000 6000.000 57.11546 1 6.63074656E+00 2.59353745E-02-9.37163111E-06 1.51845890E-09-9.11190863E-14 2 2.00861323E+03-9.20581440E+00 6.87327133E+00-1.85146306E-02 1.30560116E-04 3 -1.50832755E-07 5.65358282E-11 4.10958938E+03 2.30016604E-01 6.21804532E+03 4 C4H10,isobutane L 6/90C 4.H 10. 0. 0.G 200.000 6000.000 58.12340 1 9.76991245E+00 2.54997210E-02-9.14142932E-06 1.47328271E-09-8.80800188E-14 2 -2.14052647E+04-3.00329101E+01 4.45479276E+00 8.26057985E-03 8.29886664E-05 3 -1.14647642E-07 4.64570101E-11-1.84593931E+04 4.92743175E+00-1.62354727E+04 4 C4H10,n-butane L 6/90C 4.H 10. 0. 0.G 200.000 6000.000 58.12340 1 9.44535834E+00 2.57858073E-02-9.23619122E-06 1.48632755E-09-8.87897158E-14 2 -2.01382165E+04-2.63470076E+01 6.14746806E+00 1.55947389E-04 9.67913517E-05 3 -1.25483910E-07 4.97816555E-11-1.75994402E+04-1.09409879E+00-1.51289733E+04 4 C4N2 J 3/61C 4.N 2. 0. 0.G 200.000 6000.000 76.05748 1 1.04854800E+01 5.69544889E-03-2.12745547E-06 3.52323196E-10-2.14631729E-14 2 6.04620630E+04-2.72266502E+01 2.28116845E+00 4.61273513E-02-8.53293243E-05 3 7.93407779E-08-2.80356399E-11 6.20401013E+04 1.12898174E+01 6.41601249E+04 4 C5 L 7/88C 5. 0. 0. 0.G 200.000 6000.000 60.05500 1 9.57456888E+00 3.86016798E-03-1.47558014E-06 2.48048833E-10-1.52660253E-14 2 1.23053517E+05-2.37137980E+01 3.35873023E+00 3.24350875E-02-5.93058470E-05 3 5.60114864E-08-2.03075176E-11 1.24376242E+05 6.04915848E+00 1.26396424E+05 4 C5H6,1,3cyclo- L 5/90C 5.H 6. 0. 0.G 200.000 6000.000 66.10264 1 9.97582745E+00 1.89055233E-02-6.84110300E-06 1.10992117E-09-6.66791427E-14 2 1.10816727E+04-3.22096892E+01 8.61044032E-01 1.48045870E-02 7.21072084E-05 3 -1.13378398E-07 4.86890482E-11 1.48017548E+04 2.13536259E+01 1.61524852E+04 4 C5H8,cyclo- L 1/93C 5.H 8. 0. 0.G 200.000 6000.000 68.11852 1 9.64282423E+00 2.42562834E-02-8.72089503E-06 1.41190868E-09-8.47267848E-14 2 -1.29255032E+03-3.01225606E+01 2.68980514E+00 2.09635533E-03 1.13034459E-04 3 -1.54077581E-07 6.27623564E-11 2.45827067E+03 1.53075040E+01 4.07720960E+03 4 C5H10,1-pentene X 4/87C 5.H 10. 0. 0.G 200.000 6000.000 70.13440 1 1.17397055E+01 2.57467071E-02-9.25988701E-06 1.51497885E-09-9.17883939E-14 2 -8.46274839E+03-3.54375619E+01 5.88356456E+00 5.10401267E-03 9.78282156E-05 3 -1.32389227E-07 5.32231507E-11-5.16823068E+03 3.41987031E+00-2.55938113E+03 4 C5H10,cyclo- L 6/90C 5.H 10. 0. 0.G 200.000 6000.000 70.13440 1 9.13295790E+00 3.01130430E-02-1.09169137E-05 1.77298767E-09-1.06575248E-13 2 -1.51597372E+04-2.92618828E+01 3.70327955E+00-1.15565354E-02 1.64111439E-04 3 -2.09368134E-07 8.31054507E-11-1.10951786E+04 1.19777761E+01-9.42929890E+03 4 C5H11,pentyl X10/84C 5.H 11. 0. 0.G 200.000 6000.000 71.14234 1 1.12985135E+01 2.97314215E-02-1.09772714E-05 1.82708895E-09-1.11996026E-13 2 -2.39764167E+02-3.10395910E+01 7.17401432E+00 3.80921588E-03 1.04379065E-04 3 -1.39634050E-07 5.60395117E-11 2.52870902E+03-1.18868630E+00 5.50964519E+03 4 C5H11,t-pentyl L 1/93C 5.H 11. 0. 0.G 200.000 6000.000 71.14234 1 9.23121001E+00 3.11688383E-02-1.12478586E-05 1.82090658E-09-1.09205395E-13 2 -1.60069498E+03-2.06141974E+01 6.44622533E+00-9.54177763E-03 1.37891362E-04 3 -1.69241631E-07 6.53097127E-11 1.50837506E+03 5.43091742E+00 3.92085643E+03 4 C5H12,n-pentane X10/85C 5.H 12. 0. 0.G 298.150 5000.000 72.15028 1 1.35469980E+01 2.84217860E-02-9.41746480E-06 1.38935890E-09-7.42126090E-14 2 -2.45776800E+04-4.70211750E+01 1.89836790E+00 4.12030370E-02 1.23121750E-05 3 -3.65895010E-08 1.50425090E-11-2.00915000E+04 1.86790820E+01-1.76512800E+04 4 C5H12,i-pentane X10/85C 5.H 12. 0. 0.G 298.150 5000.000 72.15028 1 1.23277870E+01 3.06130870E-02-9.84157850E-06 1.39197760E-09-7.03373450E-14 2 -2.50374920E+04-4.11334940E+01 1.08328820E+00 4.45710760E-02 8.23899340E-06 3 -3.52580470E-08 1.57857620E-11-2.08075350E+04 2.17951550E+01-1.84859760E+04 4 CH3C(CH3)2CH3 X10/85C 5.H 12. 0. 0.G 298.150 5000.000 72.15028 1 1.01104160E+01 3.53495660E-02-1.10399670E-05 1.47777210E-09-6.84670420E-14 2 -2.58067110E+04-3.37569840E+01 7.26389940E-01 4.81254760E-02 1.59174580E-06 3 -2.66924580E-08 1.20782820E-11-2.24079800E+04 1.83272140E+01-2.01962590E+04 4 C6H2 L 2/93C 6.H 2. 0. 0.G 200.000 6000.000 74.08188 1 1.25238060E+01 8.78596282E-03-3.13663173E-06 5.04345908E-10-3.01109700E-14 2 7.60771037E+04-3.88501245E+01-5.94405026E-01 7.46613329E-02-1.35847980E-04 3 1.22198100E-07-4.17696751E-11 7.84192204E+04 2.21178780E+01 8.05820187E+04 4 C6H5,phenyl L 1/91C 6.H 5. 0. 0.G 200.000 6000.000 77.10570 1 1.07702200E+01 1.83848597E-02-6.69985951E-06 1.09225620E-09-6.58414439E-14 2 3.52040328E+04-3.50146837E+01 7.09725032E-01 1.93299484E-02 5.94079007E-05 3 -9.85084147E-08 4.25424755E-11 3.91345677E+04 2.30299294E+01 4.05556070E+04 4 C6D5 L12/84C 6.D 5. 0. 0.G 300.000 5000.000 82.13651 1 1.47294920E+01 1.52105350E-02-5.52416350E-06 8.79845750E-10-5.09792170E-14 2 3.02826290E+04-5.57549640E+01-1.25497820E+00 4.73287660E-02-8.07598830E-06 3 -2.99019720E-08 1.71490600E-11 3.53140630E+04 2.97801460E+01 3.69171280E+04 4 C6H5O,phenoxy L 6/90C 6.H 5.O 1. 0.G 200.000 6000.000 93.10510 1 1.31515134E+01 1.90165507E-02-6.94695592E-06 1.13442172E-09-6.84634203E-14 2 -4.72968266E+02-4.67107225E+01 7.76296446E-02 3.30574915E-02 3.60356256E-05 3 -7.93165426E-08 3.64328623E-11 4.06539383E+03 2.57598920E+01 5.73666999E+03 4 C6H6 L 1/91C 6.H 6. 0. 0.G 200.000 6000.000 78.11364 1 1.10771708E+01 2.07067895E-02-7.51625100E-06 1.22209416E-09-7.35312513E-14 2 4.30988395E+03-4.00116950E+01 5.03469664E-01 1.85142363E-02 7.37864409E-05 3 -1.18106127E-07 5.07182527E-11 8.55266293E+03 2.16481796E+01 9.96811598E+03 4 C6D6 L12/84C 6.D 6. 0. 0.G 300.000 5000.000 84.15061 1 1.56198640E+01 1.71239340E-02-6.20127590E-06 9.84930580E-10-5.68915570E-14 2 -1.44330520E+02-6.38881890E+01-2.07012180E+00 5.29381970E-02-9.60748280E-06 3 -3.28023720E-08 1.90125280E-11 5.40689840E+03 3.06938730E+01 6.99716330E+03 4 C6H5OH,phenol L 6/90C 6.H 6.O 1. 0.G 200.000 6000.000 94.11304 1 1.41553674E+01 1.99349498E-02-7.18217132E-06 1.16228680E-09-6.97145840E-14 2 -1.81287342E+04-5.17991412E+01-2.91049229E-01 4.08567842E-02 2.42823545E-05 3 -7.14476757E-08 3.46003044E-11-1.34129231E+04 2.68748886E+01-1.15940687E+04 4 C6H10,cyclo- L 1/93C 6.H 10. 0. 0.G 200.000 6000.000 82.14540 1 1.17733889E+01 3.09482743E-02-1.12347262E-05 1.82632045E-09-1.09855683E-13 2 -7.20263233E+03-4.26557933E+01 2.36627804E+00 1.06814158E-02 1.18222243E-04 3 -1.65679913E-07 6.76133786E-11-2.48250358E+03 1.67692033E+01-5.53249680E+02 4 C6H12,1-hexene X 4/87C 6.H 12. 0. 0.G 200.000 6000.000 84.16128 1 1.51268820E+01 2.94975192E-02-1.05411189E-05 1.72131394E-09-1.04218853E-13 2 -1.24861590E+04-5.19351758E+01 7.31539830E+00 3.70903758E-03 1.27255723E-04 3 -1.71562233E-07 6.89824521E-11-8.20916239E+03-5.95782436E-01-5.04539654E+03 4 C6H12,cyclo- L 6/90C 6.H 12. 0. 0.G 200.000 6000.000 84.16128 1 1.32147562E+01 3.58242410E-02-1.32110595E-05 2.17202254E-09-1.31730540E-13 2 -2.28091954E+04-5.53526464E+01 4.04348764E+00-6.19527424E-03 1.76621086E-04 3 -2.22967809E-07 8.63667390E-11-1.69202872E+04 8.52566766E+00-1.48294969E+04 4 C6H13,n-hexyl X10/83C 6.H 13. 0. 0.G 200.000 6000.000 85.16922 1 1.40301977E+01 3.47114029E-02-1.26836103E-05 2.09365902E-09-1.27627985E-13 2 -4.06907890E+03-4.39643824E+01 8.76344954E+00 2.16243850E-03 1.31674084E-04 3 -1.73827452E-07 6.92515009E-11-5.42628115E+02-5.91726978E+00 3.01881891E+03 4 C7H7,benzyl L 1/93C 7.H 7. 0. 0.G 200.000 6000.000 91.13258 1 1.40435627E+01 2.34946209E-02-8.53786999E-06 1.38914523E-09-8.36183659E-14 2 1.85643697E+04-5.16632394E+01 4.81145711E-01 3.85126943E-02 3.28618341E-05 3 -7.69728603E-08 3.54230267E-11 2.33070210E+04 2.35487000E+01 2.53171865E+04 4 C7H8 L 1/93C 7.H 8. 0. 0.G 200.000 6000.000 92.14052 1 1.29394750E+01 2.66921558E-02-9.68420108E-06 1.57392140E-09-9.46670482E-14 2 -6.77035769E+02-4.67255302E+01 1.61191400E+00 2.11188902E-02 8.53221453E-05 3 -1.32566876E-07 5.59406109E-11 4.09651976E+03 2.02973614E+01 6.03402967E+03 4 C7H8O,cresol mx L 1/93C 7.H 8.O 1. 0.G 200.000 6000.000 108.13992 1 1.65179499E+01 2.54721604E-02-9.18781249E-06 1.48772675E-09-8.92617180E-14 2 -2.36116775E+04-6.19386224E+01 7.98026029E-01 4.67284934E-02 2.73617362E-05 3 -7.75823278E-08 3.68948350E-11-1.83324087E+04 2.42303179E+01-1.59117014E+04 4 C7H14,1-heptene X 4/87C 7.H 14. 0. 0.G 200.000 6000.000 98.18816 1 1.84972484E+01 3.32575990E-02-1.18150330E-05 1.92513278E-09-1.16441886E-13 2 -1.65142044E+04-6.83095138E+01 8.70575623E+00 2.79788048E-03 1.55212260E-04 3 -2.09020114E-07 8.40527224E-11-1.12661385E+04-4.45341873E+00-7.54824999E+03 4 C7H15,n-heptyl X10/83C 7.H 15. 0. 0.G 200.000 6000.000 99.19610 1 1.64117107E+01 4.03602901E-02-1.47823188E-05 2.44414560E-09-1.49160374E-13 2 -7.76310920E+03-5.49531828E+01 1.02804136E+01 7.01553566E-04 1.59551347E-04 3 -2.09593179E-07 8.33445318E-11-3.60307311E+03-1.03020940E+01 5.27992630E+02 4 C7H16,n-heptane X10/85C 7.H 16. 0. 0.G 200.000 6000.000 100.20404 1 1.85354704E+01 3.91420468E-02-1.38030268E-05 2.22403874E-09-1.33452580E-13 2 -3.19500783E+04-7.01902840E+01 1.11532484E+01-9.49415433E-03 1.95571181E-04 3 -2.49752520E-07 9.84873213E-11-2.67711735E+04-1.59096110E+01-2.25870196E+04 4 C8H8,styrene X 4/89C 8.H 8. 0. 0.G 200.000 6000.000 104.15152 1 1.58813334E+01 2.68374055E-02-9.90244561E-06 1.63759141E-09-9.98448972E-14 2 1.00847804E+04-6.09419319E+01 1.18175769E+00 3.34876025E-02 6.92366253E-05 3 -1.24490419E-07 5.49384735E-11 1.56039062E+04 2.26624980E+01 1.78362886E+04 4 C8H10,ethylbenz X10/86C 8.H 10. 0. 0.G 200.000 6000.000 106.16740 1 1.55760759E+01 3.23064579E-02-1.19002723E-05 1.96792542E-09-1.19911164E-13 2 -4.41157516E+03-5.91043877E+01 3.51534963E+00 1.78145681E-02 1.18934012E-04 3 -1.75639764E-07 7.32061099E-11 1.02038595E+03 1.41539629E+01 3.59852836E+03 4 C8H16,1-octene X 4/87C 8.H 16. 0. 0.G 200.000 6000.000 112.21504 1 2.20134086E+01 3.67972174E-02-1.29830482E-05 2.10854637E-09-1.27294158E-13 2 -2.06109835E+04-8.55337170E+01 1.01487860E+01 1.25107538E-03 1.85252736E-04 3 -2.49094162E-07 1.00250395E-10-1.43267453E+04-8.50774418E+00-1.00535089E+04 4 C8H17,n-octyl X10/83C 8.H 17. 0. 0.G 200.000 6000.000 113.22298 1 1.87968043E+01 4.60048523E-02-1.68790126E-05 2.79422477E-09-1.70663886E-13 2 -1.14592578E+04-6.59622206E+01 1.18082518E+01-8.50348136E-04 1.87697700E-04 3 -2.45690702E-07 9.75813027E-11-6.66450442E+03-1.47298487E+01-1.96283365E+03 4 C8H18,isooctane X 4/85C 8.H 18. 0. 0.G 200.000 6000.000 114.23092 1 1.59899273E+01 5.53184790E-02-1.95267072E-05 3.11779172E-09-1.85312577E-13 2 -3.58757973E+04-6.01161414E+01 8.15737338E-01 7.32643959E-02 1.78300688E-05 3 -6.93589620E-08 3.21629382E-11-3.04772862E+04 2.41509994E+01-2.69420567E+04 4 C8H18,n-octane X 4/85C 8.H 18. 0. 0.G 200.000 6000.000 114.23092 1 2.21755407E+01 4.24426161E-02-1.49161103E-05 2.40376673E-09-1.44359037E-13 2 -3.61030944E+04-8.80854457E+01 1.25244908E+01-1.01018365E-02 2.21991595E-04 3 -2.84862420E-07 1.12409624E-10-2.98433034E+04-1.97108554E+01-2.51067110E+04 4 C9H19,n-nonyl X10/83C 9.H 19. 0. 0.G 298.150 5000.000 127.24986 1 1.91952670E+01 5.54392490E-02-2.14366010E-05 3.78851440E-09-2.50029870E-13 2 -1.43737110E+04-6.60562860E+01 2.87564850E+00 7.57927890E-02 1.34624310E-05 3 -6.40883970E-08 2.86941720E-11-8.68345310E+03 2.42622410E+01-4.45371290E+03 4 C10H8,naphthale L 8/93C 10.H 8. 0. 0.G 200.000 6000.000 128.17352 1 1.86129899E+01 3.04494141E-02-1.11224799E-05 1.81615406E-09-1.09601224E-13 2 8.91552944E+03-8.00230479E+01-1.04919326E+00 4.62970611E-02 7.07592203E-05 3 -1.38408186E-07 6.20475748E-11 1.59846388E+04 3.02121571E+01 1.81105080E+04 4 C10H21,n-decyl X10/83C 10.H 21. 0. 0.G 298.150 5000.000 141.27674 1 2.13221280E+01 6.15735240E-02-2.38494830E-05 4.22091160E-09-2.78893070E-13 2 -1.79678090E+04-7.56437801E+01 3.08970070E+00 8.41179490E-02 1.59018380E-05 3 -7.23879340E-08 3.22669250E-11-1.16149410E+04 2.52811929E+01-6.94456890E+03 4 C12H9,o-bipheny L12/84C 12.H 9. 0. 0.G 200.000 6000.000 153.20346 1 2.25693421E+01 3.45619386E-02-1.27020788E-05 2.08111827E-09-1.25849480E-13 2 4.05905091E+04-9.57792390E+01 4.07649156E-01 5.42797841E-02 7.12514701E-05 3 -1.44404490E-07 6.48500575E-11 4.85349837E+04 2.81982515E+01 5.14438397E+04 4 O-C12D9 L12/84C 12.D 9. 0. 0.G 300.000 5000.000 162.25892 1 3.01231990E+01 2.83282550E-02-1.03665400E-05 1.65933380E-09-9.65271160E-14 2 3.32077890E+04-1.35191307E+02-7.32993960E-01 8.98368950E-02-1.37312750E-05 3 -5.94270200E-08 3.37024300E-11 4.29430940E+04 3.00419560E+01 4.64864100E+04 4 C12H10,bipheny L12/84C 12.H 10. 0. 0.G 200.000 6000.000 154.21140 1 2.28964892E+01 3.68452570E-02-1.35016270E-05 2.20802808E-09-1.33358223E-13 2 1.07394499E+04-1.00510148E+02 1.94566186E-01 5.35264368E-02 8.54996701E-05 3 -1.63903606E-07 7.29977217E-11 1.90020431E+04 2.72151271E+01 2.19050792E+04 4 C12D10 L12/84C 12.D 10. 0. 0.G 300.000 5000.000 164.27302 1 3.09050600E+01 3.03499880E-02-1.10950480E-05 1.77558100E-09-1.03323270E-13 2 2.88344530E+03-1.42438937E+02-1.57934860E+00 9.50595740E-02-1.45320710E-05 3 -6.26455970E-08 3.55300790E-11 1.31374220E+04 3.15298410E+01 1.66475020E+04 4 Jet-A(g) L 6/88C 12.H 23. 0. 0.G 273.150 5000.000 167.31462 1 2.48802010E+01 7.82500480E-02-3.15509730E-05 5.78789000E-09-3.98279680E-13 2 -4.31106840E+04-9.36552468E+01 2.08692170E+00 1.33149650E-01-8.11574520E-05 3 2.94092860E-08-6.51952130E-12-3.59128140E+04 2.73552972E+01-3.00344960E+04 4 Ca L 3/93CA 1. 0. 0. 0.G 200.000 6000.000 40.07800 1 1.92707623E+00 1.34909167E-03-1.07515862E-06 3.25457865E-10-2.64671538E-14 2 2.08196210E+04 7.42878398E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.06389279E+04 4.38454833E+00 2.13843029E+04 4 Ca+ J 9/83CA 1.E -1. 0. 0.G 298.150 6000.000 40.07745 1 2.64221438E+00-1.60517359E-04-2.70843966E-08 5.13522496E-11-5.96487048E-15 2 9.22596379E+04 4.25372628E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 9.23242106E+04 5.07767503E+00 9.30695856E+04 4 CaBr J12/74CA 1.BR 1. 0. 0.G 300.000 5000.000 119.98200 1 4.32173630E+00 4.09036740E-04-2.45415310E-07 6.90268740E-11-5.36841960E-15 2 -7.24627320E+03 5.67668059E+00 3.85118770E+00 3.02714810E-03-5.50978070E-06 3 4.67645710E-09-1.49599600E-12-7.18372390E+03 7.77803289E+00-5.94108833E+03 4 CaBr2 J 6/74CA 1.BR 2. 0. 0.G 300.000 5000.000 199.88600 1 7.41516390E+00 9.65490130E-05-4.24638160E-08 8.22868650E-12-5.86170570E-16 2 -4.85368240E+04-4.48080162E+00 6.60571570E+00 3.60588920E-03-5.83146500E-06 3 4.26348010E-09-1.16672780E-12-4.83829630E+04-6.31052281E-01-4.62968444E+04 4 CaCL J 6/70CA 1.CL 1. 0. 0.G 300.000 5000.000 75.53070 1 4.30671160E+00 4.00849630E-04-2.33136610E-07 6.39217970E-11-4.86623830E-15 2 -1.38926560E+04 4.37337421E+00 3.67305150E+00 3.31441640E-03-5.16824350E-06 3 3.71112670E-09-9.96870310E-13-1.37841440E+04 7.33679641E+00-1.25805061E+04 4 CaCL2 J 6/70CA 1.CL 2. 0. 0.G 300.000 5000.000 110.98340 1 7.36500140E+00 1.53271080E-04-6.72752850E-08 1.30141310E-11-9.25679680E-16 2 -5.89547310E+04-7.18852085E+00 6.16133630E+00 5.30604290E-03-8.46494630E-06 3 6.11288970E-09-1.65223620E-12-5.87229350E+04-1.44829735E+00-5.67135827E+04 4 CaF J12/68CA 1.F 1. 0. 0.G 300.000 5000.000 59.07640 1 4.19886210E+00 4.92440930E-04-2.61021230E-07 6.47916350E-11-4.73039510E-15 2 -3.40211290E+04 3.46314757E+00 3.05089900E+00 5.15494390E-03-7.35082960E-06 3 4.78764580E-09-1.15231550E-12-3.37923450E+04 8.98800887E+00-3.27096252E+04 4 CaF2 J12/68CA 1.F 2. 0. 0.G 300.000 5000.000 78.07481 1 6.65434310E+00 3.90526920E-04-1.70810700E-07 3.29528400E-11-2.33877410E-15 2 -9.64452790E+04-5.31072117E+00 4.23081520E+00 1.02558050E-02-1.54443450E-05 3 1.05467910E-08-2.68439160E-12-9.59552610E+04 6.36780653E+00-9.43548797E+04 4 CaI J 6/74CA 1.I 1. 0. 0.G 300.000 5000.000 166.98247 1 4.31984710E+00 4.34666910E-04-2.74419200E-07 8.00804410E-11-6.54516080E-15 2 -1.90648040E+03 6.71480235E+00 4.02391010E+00 2.25599780E-03-4.09398330E-06 3 3.48400510E-09-1.11629960E-12-1.87705110E+03 7.99031065E+00-6.06862329E+02 4 CaI2 J 6/74CA 1.I 2. 0. 0.G 300.000 5000.000 293.88694 1 7.42386650E+00 8.85553580E-05-3.98468930E-08 7.89183570E-12-5.73526580E-16 2 -3.32877520E+04-2.97844542E+00 6.56417270E+00 4.26846500E-03-7.92475830E-06 3 6.72056000E-09-2.14854610E-12-3.31382820E+04 1.02209228E+00-3.10492020E+04 4 CaO J12/74CA 1.O 1. 0. 0.G 300.000 5000.000 56.07740 1 9.17458650E+00-1.06432340E-02 7.69689680E-06-1.90704430E-09 1.55092310E-13 2 2.32480410E+03-2.44275825E+01 2.67186020E+00 6.43240250E-03-9.57270300E-06 3 6.76204240E-09-1.81730490E-12 4.27345310E+03 9.65422679E+00 5.28389925E+03 4 CaOH J12/75CA 1.O 1.H 1. 0.G 300.000 5000.000 57.08534 1 5.27547590E+00 1.80256200E-03-6.84356480E-07 1.30601960E-10-8.91315800E-15 2 -2.49846810E+04-2.31108541E+00 2.10048520E+00 1.86951590E-02-3.35066440E-05 3 2.80256380E-08-8.79926890E-12-2.45309150E+04 1.20387635E+01-2.33185135E+04 4 CaOH+ J12/75CA 1.O 1.H 1.E -1.G 300.000 5000.000 57.08479 1 5.40510870E+00 1.52450030E-03-4.78308080E-07 7.13472160E-11-4.12983490E-15 2 4.26859330E+04-3.66981129E+00 2.15664600E+00 1.85186760E-02-3.32682220E-05 3 2.78722200E-08-8.76080100E-12 4.31683950E+04 1.10927661E+01 4.43915181E+04 4 CaO2H2 J12/75CA 1.O 2.H 2. 0.G 300.000 5000.000 74.09268 1 8.85820360E+00 2.99419090E-03-9.32192990E-07 1.37883860E-10-7.91119850E-15 2 -7.62794960E+04-1.71393039E+01 2.32221660E+00 3.75156820E-02-6.79965130E-05 3 5.72902630E-08-1.80814750E-11-7.53228630E+04 1.24879611E+01-7.34591048E+04 4 CaS J 9/77CA 1.S 1. 0. 0.G 298.150 5000.000 72.14400 1 5.35707752E+00-4.18392513E-03 4.68291375E-06-1.40725075E-09 1.28892668E-13 2 1.34741825E+04-1.43173210E+00 3.22586008E+00 5.30640418E-03-8.76527639E-06 3 6.42601054E-09-1.61529035E-12 1.37334866E+04 8.34892080E+00 1.48655784E+04 4 Ca2 J 9/83CA 2. 0. 0. 0.G 200.000 6000.000 80.15600 1 3.16700199E+00-6.16814444E-04 2.03540960E-07-2.77128180E-11 1.65003046E-15 2 4.04382380E+04 1.37113509E+01 4.94590110E+00 4.30621337E-03-3.23384227E-05 3 4.51640811E-08-1.93501071E-11 3.96175492E+04 2.54511315E+00 4.10779763E+04 4 CL J 6/82CL 1. 0. 0. 0.G 200.000 6000.000 35.45270 1 2.94658358E+00-3.85985408E-04 1.36139388E-07-2.17032923E-11 1.28751025E-15 2 1.36970327E+04 3.11330136E+00 2.26062480E+00 1.54154399E-03-6.80283622E-07 3 -1.59972975E-09 1.15416636E-12 1.38552986E+04 6.57020799E+00 1.45891941E+04 4 CL+ J 6/82CL 1.E -1. 0. 0.G 298.150 6000.000 35.45215 1 3.12286072E+00-6.36624037E-04 2.48337920E-07-3.72507849E-11 1.98433686E-15 2 1.64912234E+05 2.49731349E+00 1.71435396E+00 6.62489248E-03-1.35523086E-05 3 1.14999760E-08-3.58760566E-12 1.65123809E+05 8.91739552E+00 1.65830698E+05 4 CL- J 6/82CL 1.E 1. 0. 0.G 298.150 6000.000 35.45325 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.88834132E+04 4.20062927E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.88834132E+04 4.20062927E+00-2.81380382E+04 4 CLCN J 6/66CL 1.C 1.N 1. 0.G 300.000 5000.000 61.47044 1 5.49200210E+00 2.09872480E-03-7.74159140E-07 1.38238820E-10-9.23348640E-15 2 1.47491610E+04-3.73046245E+00 3.33908540E+00 1.03974680E-02-1.37046500E-05 3 9.50619620E-09-2.59252600E-12 1.52375390E+04 6.83103255E+00 1.65917045E+04 4 CLF J 6/77CL 1.F 1. 0. 0.G 300.000 5000.000 54.45110 1 2.84862330E+00 3.17332790E-03-2.05233870E-06 5.21627330E-10-3.74722620E-14 2 -6.92788240E+03 9.31699660E+00 2.64455690E+00 6.24812560E-03-9.03543510E-06 3 6.34005750E-09-1.74353720E-12-7.04691060E+03 9.63042800E+00-6.04884780E+03 4 CLF3 J 9/65CL 1.F 3. 0. 0.G 300.000 5000.000 92.44791 1 8.95359670E+00 1.17221630E-03-5.08961880E-07 9.75634890E-11-6.88587310E-15 2 -2.20759680E+04-1.80815549E+01 2.89491190E+00 2.47185500E-02-3.51393230E-05 3 2.25595910E-08-5.32619780E-12-2.07986400E+04 1.13816921E+01-1.91052460E+04 4 CLO J 6/61CL 1.O 1. 0. 0.G 300.000 5000.000 51.45210 1 4.09126190E+00 5.00031260E-04-1.87782060E-07 3.50976710E-11-2.42050380E-15 2 1.08532230E+04 3.61889244E+00 2.81793640E+00 4.45313330E-03-4.41248930E-06 3 1.59209420E-09-1.44862420E-14 1.11713970E+04 1.00579823E+01 1.21736480E+04 4 CLO2 L 7/93CL 1.O 2. 0. 0.G 200.000 6000.000 67.45150 1 5.76647681E+00 1.41132506E-03-5.43714031E-07 1.00734295E-10-6.43543762E-15 2 1.06324182E+04-2.86560082E+00 3.29338614E+00 6.19311337E-03 1.05685372E-06 3 -8.16191254E-09 4.34694600E-12 1.13760776E+04 1.03017024E+01 1.26285253E+04 4 CL2 TPIS89CL 2. 0. 0. 0.G 200.000 6000.000 70.90540 1 4.74727508E+00-4.88581710E-04 2.68444871E-07-2.43476083E-11-1.03683148E-15 2 -1.51101862E+03-3.44551305E-01 2.73638114E+00 7.83525700E-03-1.45104963E-05 3 1.25730834E-08-4.13247145E-12-1.05880114E+03 9.44555879E+00 0.00000000E+00 4 CL2O J12/65CL 2.O 1. 0. 0.G 300.000 5000.000 86.90480 1 6.43400620E+00 6.27288090E-04-2.69332520E-07 5.10763940E-11-3.56915450E-15 2 8.48605300E+03-4.93672407E+00 3.25452380E+00 1.27994490E-02-1.78824600E-05 3 1.12643830E-08-2.59642520E-12 9.16574230E+03 1.05712106E+01 1.05680184E+04 4 Cr J 6/79CR 1. 0. 0. 0.G 200.000 6000.000 51.99610 1 3.08497752E+00-1.44703683E-03 1.08492194E-06-2.35643635E-10 1.86355816E-14 2 4.68928202E+04 3.65913914E+00 2.50259371E+00-2.76560170E-05 1.03974095E-07 3 -1.61996406E-10 8.89391985E-14 4.70600237E+04 6.71107210E+00 4.78055833E+04 4 CrN J12/73CR 1.N 1. 0. 0.G 300.000 5000.000 66.00284 1 3.86496020E+00 8.51604560E-04-4.40707580E-07 1.06676010E-10-8.37314220E-15 2 5.94774370E+04 5.29506757E+00 2.93046360E+00 3.03770420E-03-1.27139640E-06 3 -1.17812490E-09 8.55513490E-13 5.97442030E+04 1.01918812E+01 6.07397802E+04 4 CrO J12/73CR 1.O 1. 0. 0.G 300.000 5000.000 67.99550 1 4.01398180E+00 6.27002450E-04-2.79567940E-07 6.00031000E-11-4.40579160E-15 2 2.13466930E+04 5.55171510E+00 2.84149960E+00 4.09533580E-03-3.57764630E-06 3 8.17104390E-10 2.40720090E-13 2.16460670E+04 1.15179922E+01 2.26454051E+04 4 CrO2 J12/73CR 1.O 2. 0. 0.G 300.000 5000.000 83.99490 1 5.84999980E+00 1.27251010E-03-5.49205480E-07 1.04974910E-10-7.39954860E-15 2 -1.10421830E+04-1.74497632E+00 3.30126450E+00 8.16258570E-03-5.89076800E-06 3 1.61708560E-11 1.08162670E-12-1.03535690E+04 1.13991138E+01-9.05799743E+03 4 CrO3 J12/73CR 1.O 3. 0. 0.G 300.000 5000.000 99.99430 1 8.16289460E+00 2.04508390E-03-8.85941310E-07 1.69762820E-10-1.19877650E-14 2 -3.80925570E+04-1.58958945E+01 1.90728580E+00 2.30496080E-02-2.65012940E-05 3 1.28624130E-08-1.83819910E-12-3.66086800E+04 1.53451415E+01-3.52251261E+04 4 Cs L 3/93CS 1. 0. 0. 0.G 200.000 6000.000 132.90543 1 2.82023315E+00-3.34840327E-04-9.82915709E-08 1.27564369E-10-1.46119271E-14 2 8.30639354E+03 5.00894042E+00 2.50004554E+00-4.66833356E-07 1.68005061E-09 3 -2.48218029E-12 1.27712190E-15 8.45540436E+03 6.87573539E+00 9.20078273E+03 4 Cs+ J12/83CS 1.E -1. 0. 0.G 298.150 6000.000 132.90488 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 5.43873989E+04 6.18275756E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 5.43873989E+04 6.18275756E+00 5.51327739E+04 4 CsCL J 6/68CS 1.CL 1. 0. 0.G 300.000 5000.000 168.35813 1 4.47984550E+00 1.09491640E-04-3.99899140E-09 2.06419950E-13 2.21846400E-17 2 -3.02358090E+04 5.21731708E+00 4.18230300E+00 1.37595530E-03-2.05869330E-06 3 1.48364740E-09-3.97645460E-13-3.01779270E+04 6.63848788E+00-2.88852607E+04 4 CsF J 6/68CS 1.F 1. 0. 0.G 300.000 5000.000 151.90383 1 4.43733090E+00 1.27150000E-04-2.05476500E-08 2.98133570E-12-1.47742450E-16 2 -4.42279950E+04 3.87355585E+00 3.74498790E+00 3.01005160E-03-4.58838160E-06 3 3.21796940E-09-8.37860170E-13-4.40906960E+04 7.19487315E+00-4.28749148E+04 4 CsO J12/68CS 1.O 1. 0. 0.G 300.000 5000.000 148.90483 1 4.46602820E+00 1.15632320E-04-5.99891870E-09 1.31766990E-13 5.76397450E-17 2 6.19503090E+03 5.21454869E+00 3.98574190E+00 2.12792510E-03-3.21702550E-06 3 2.27642950E-09-5.97219760E-13 6.28989400E+03 7.51602259E+00 7.54861703E+03 4 CsOH J 6/71CS 1.O 1.H 1. 0.G 300.000 5000.000 149.91277 1 5.70056490E+00 1.18203840E-03-3.19390940E-07 3.86429170E-11-1.66356360E-15 2 -3.29192050E+04-2.11870021E+00 4.54860030E+00 7.96123330E-03-1.33264970E-05 3 1.03142340E-08-2.89737770E-12-3.28108900E+04 2.86187969E+00-3.11995968E+04 4 CsOH+ J12/71CS 1.O 1.H 1.E -1.G 300.000 5000.000 149.91222 1 5.72925630E+00 1.15713240E-03-3.10444310E-07 3.70962910E-11-1.55094630E-15 2 5.16264830E+04-5.76482218E-01 4.84871580E+00 6.89083460E-03-1.18393280E-05 3 9.43353720E-09-2.72226850E-12 5.16781670E+04 3.08484851E+00 5.33428450E+04 4 Cs2 J12/83CS 2. 0. 0. 0.G 200.000 6000.000 265.81086 1 6.86645178E+00-3.99014326E-03 1.31948084E-06-1.63413186E-10 6.88125908E-15 2 1.08054293E+04-4.29749465E+00 4.74588225E+00-2.63862819E-03 1.14139305E-05 3 -1.60430500E-08 6.56112294E-12 1.15444856E+04 7.60679272E+00 1.29144271E+04 4 Cs2CL2 J 6/68CS 2.CL 2. 0. 0.G 300.000 5000.000 336.71626 1 9.94243750E+00 6.26593030E-05-2.63310970E-08 4.89121420E-12-3.35541520E-16 2 -8.23458550E+04-1.05980604E+01 9.29526420E+00 2.85056000E-03-4.55760190E-06 3 3.25577310E-09-8.60673620E-13-8.22228620E+04-7.51835332E+00-7.93590189E+04 4 Cs2F2 J 6/68CS 2.F 2. 0. 0.G 300.000 5000.000 303.80767 1 9.87937250E+00 1.26748290E-04-5.09052530E-08 8.97117620E-12-5.80909600E-16 2 -1.10050570E+05-1.40548217E+01 8.44255610E+00 6.49210010E-03-1.08327570E-05 3 8.17910540E-09-2.31739780E-12-1.09781650E+05-7.24824485E+00-1.07056586E+05 4 Cs2O J12/68CS 2.O 1. 0. 0.G 300.000 5000.000 281.81026 1 6.89794670E+00 1.01650980E-04-3.80620620E-08 6.14663930E-12-3.57582160E-16 2 -1.31699890E+04-1.16591689E+00 5.75536390E+00 4.91160730E-03-7.70725180E-06 3 5.41569570E-09-1.40808980E-12-1.29468290E+04 4.30015461E+00-1.10706171E+04 4 Cs2O2H2 J 6/71CS 2.O 2.H 2. 0.G 300.000 5000.000 299.82554 1 9.58093620E+00 5.32605090E-03-1.87805450E-06 3.09259250E-10-1.94295330E-14 2 -8.60258390E+04-1.32145943E+01 7.52281910E+00 7.90783720E-03 3.54302990E-06 3 -1.04563280E-08 4.80140320E-12-8.53384120E+04-1.90663311E+00-8.27310993E+04 4 Cs2SO4 J 6/79CS 2.S 1.O 4. 0.G 300.000 5000.000 361.87446 1 1.54190450E+01 4.05276500E-03-1.79103410E-06 3.50246530E-10-2.52157360E-14 2 -1.40367750E+05-4.14921849E+01 4.29653850E+00 4.48543000E-02-6.09879230E-05 3 4.05163880E-08-1.06734950E-11-1.37825590E+05 1.34096371E+01-1.35014739E+05 4 Cu J 9/84CU 1. 0. 0. 0.G 200.000 6000.000 63.54600 1 3.13522595E+00-1.13337547E-03 5.72023041E-07-7.66326177E-11 2.83881466E-15 2 3.96177240E+04 2.25331944E+00 2.50006597E+00-6.77306412E-07 2.44116818E-09 3 -3.61314758E-12 1.86303224E-15 3.98583358E+04 5.76884604E+00 4.06037157E+04 4 Cu+ J 9/84CU 1.E -1. 0. 0.G 298.150 6000.000 63.54545 1 2.49981754E+00 3.57922146E-07-2.21769848E-10 4.86937918E-14-2.39019610E-18 2 1.30263854E+05 1.24951186E+01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 1.30263788E+05 1.24941209E+01 1.31009163E+05 4 CuCL J 3/66CU 1.CL 1. 0. 0.G 300.000 5000.000 98.99870 1 4.39029880E+00 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7.67697740E-09-2.35863710E-12-2.48492460E+04 9.37201677E+00-2.38530740E+04 4 HBO+ J12/75H 1.B 1.O 1.E -1.G 300.000 5000.000 27.81779 1 3.94750800E+00 3.43154360E-03-1.27870840E-06 2.21806040E-10-1.47571920E-14 2 1.41359980E+05 1.99889597E+00 2.25442830E+00 8.03018720E-03-5.97490720E-06 3 2.42819500E-09-4.30511240E-13 1.41850690E+05 1.08122076E+01 1.42831572E+05 4 HBO- J12/75H 1.B 1.O 1.E 1.G 300.000 5000.000 27.81889 1 4.08692650E+00 2.97847560E-03-1.23871070E-06 2.46933350E-10-1.84550480E-14 2 -3.09300260E+04 2.78014247E+00 3.97079550E+00-2.21001070E-03 1.45354130E-05 3 -1.56389250E-08 5.39789660E-12-3.05894990E+04 4.82496967E+00-2.94037719E+04 4 HBO2 J12/64H 1.B 1.O 2. 0.G 300.000 5000.000 43.81774 1 4.73895190E+00 4.77187710E-03-1.80634940E-06 3.14928890E-10-2.07383120E-14 2 -6.92488380E+04 9.86391767E-03 2.87078660E+00 7.88626440E-03-4.07368420E-07 3 -4.70590220E-09 2.35488930E-12-6.86241110E+04 1.01805186E+01-6.74294533E+04 4 HBS J12/75H 1.B 1.S 1. 0.G 300.000 5000.000 43.88494 1 4.44122650E+00 2.99798250E-03-1.19382300E-06 2.11958320E-10-1.34660970E-14 2 4.44029750E+03-6.46783174E-01 1.55959030E+00 1.39668380E-02-1.79885950E-05 3 1.23151410E-08-3.40909570E-12 5.08909360E+03 1.35018986E+01 6.03866710E+03 4 HBS+ J12/75H 1.B 1.S 1.E -1.G 300.000 5000.000 43.88439 1 4.70975420E+00 2.81870360E-03-1.16330880E-06 2.17688390E-10-1.51086860E-14 2 1.34191390E+05-8.37472146E-01 2.25115610E+00 1.20771680E-02-1.53221560E-05 3 1.04940900E-08-2.93252920E-12 1.34754760E+05 1.12707699E+01 1.35846718E+05 4 HBr J 9/65H 1.BR 1. 0. 0.G 300.000 5000.000 80.91194 1 2.79358040E+00 1.56559250E-03-5.61710640E-07 9.57831420E-11-6.18139900E-15 2 -5.23383840E+03 7.65553403E+00 3.60566900E+00-5.95294310E-04 6.50295680E-07 3 9.37812190E-10-7.11418520E-13-5.43894550E+03 3.49634113E+00-4.38311167E+03 4 HCN L 7/88H 1.C 1.N 1. 0.G 200.000 6000.000 27.02568 1 3.80231733E+00 3.14630009E-03-1.06315698E-06 1.66185395E-10-9.79891789E-15 2 1.49104829E+04 1.57503584E+00 2.25901123E+00 1.00510591E-02-1.33514911E-05 3 1.00920882E-08-3.00882048E-12 1.52158495E+04 8.91634590E+00 1.62366754E+04 4 HCO L12/89H 1.C 1.O 1. 0.G 200.000 6000.000 29.01834 1 3.64896209E+00 3.08090819E-03-1.12429876E-06 1.86308085E-10-1.13951828E-14 2 3.71209048E+03 5.06147406E+00 4.22118584E+00-3.24392532E-03 1.37799446E-05 3 -1.33144093E-08 4.33768865E-12 3.83956496E+03 3.39437243E+00 5.05141013E+03 4 HCO+ J12/70H 1.C 1.O 1.E -1.G 300.000 5000.000 29.01779 1 3.74118800E+00 3.34415170E-03-1.23971210E-06 2.11893880E-10-1.37041500E-14 2 9.88840780E+04 2.07861357E+00 2.47397360E+00 8.67155900E-03-1.00315000E-05 3 6.71705270E-09-1.78726740E-12 9.91466080E+04 8.17571187E+00 1.00193449E+05 4 HCCN TPIS91H 1.C 2.N 1. 0.G 200.000 6000.000 39.03668 1 6.56314169E+00 3.48040967E-03-1.24603080E-06 2.00764486E-10-1.20044547E-14 2 7.11347086E+04-9.86556141E+00 1.87184307E+00 2.60611314E-02-4.62723965E-05 3 4.18609731E-08-1.45352705E-11 7.20340360E+04 1.22173228E+01 7.34175107E+04 4 HCL J 9/64H 1.CL 1. 0. 0.G 300.000 5000.000 36.46064 1 2.76658840E+00 1.43818830E-03-4.69930000E-07 7.34994080E-11-4.37311060E-15 2 -1.19174680E+04 6.47150629E+00 3.52481710E+00 2.99848620E-05-8.62218910E-07 3 2.09797210E-09-9.86581910E-13-1.21505090E+04 2.40892359E+00-1.11021897E+04 4 HD J 6/77H 1.D 1. 0. 0.G 300.000 5000.000 3.02204 1 2.84645440E+00 1.06319610E-03-2.44338050E-07 2.90508340E-11-1.16215310E-15 2 -7.61824650E+02 9.80143997E-01 3.43254770E+00 6.51070280E-04-1.93326660E-06 3 2.41017360E-09-8.67323970E-13-1.00092720E+03-2.38902247E+00 3.86979786E+01 4 HD+ J 9/77H 1.D 1.E -1. 0.G 300.000 5000.000 3.02149 1 3.29097640E+00 1.15515290E-03-3.44494630E-07 7.67226820E-11-8.09481330E-15 2 1.78942790E+05-4.78607212E-01 3.88271360E+00-3.07793810E-03 8.19144730E-06 3 -6.81194990E-09 1.98598980E-12 1.78945630E+05-2.80335978E+00 1.80026303E+05 4 HD- J 9/77H 1.D 1.E 1. 0.G 300.000 5000.000 3.02259 1 3.49399490E+00 1.24486670E-03-4.72887140E-07 9.10596370E-11-6.48629260E-15 2 2.71577340E+04-2.23110461E+00 3.64288770E+00-2.12912890E-03 8.92841230E-06 3 -9.34812040E-09 3.25649710E-12 2.72692710E+04-2.25562661E+00 2.83227106E+04 4 HDO J 6/77H 1.D 1.O 1. 0.G 300.000 5000.000 19.02144 1 2.66726880E+00 3.55752090E-03-1.20260030E-06 1.96072090E-10-1.23526200E-14 2 -3.03728690E+04 7.98359926E+00 4.07544220E+00-1.38202850E-03 5.70255340E-06 3 -4.41636460E-09 1.22630620E-12-3.07076080E+04 9.71068127E-01-2.95117089E+04 4 HF J 6/77H 1.F 1. 0. 0.G 300.000 5000.000 20.00634 1 2.99191100E+00 7.14894750E-04-6.86309730E-08-1.16171300E-11 1.94123750E-15 2 -3.36213640E+04 3.82549527E+00 3.43799860E+00 5.35715980E-04-1.52296550E-06 3 1.75644910E-09-5.78699400E-13-3.38189720E+04 1.20618177E+00-3.27803794E+04 4 HI J 9/61H 1.I 1. 0. 0.G 300.000 5000.000 127.91241 1 2.91040080E+00 1.56881880E-03-5.92276320E-07 1.05370940E-10-7.03751160E-15 2 2.25086590E+03 7.86447051E+00 3.69637220E+00-1.42247550E-03 3.01311880E-06 3 -1.26664030E-09-3.50987650E-14 2.10735810E+03 4.08812111E+00 3.17030779E+03 4 HNC L11/92H 1.N 1.C 1. 0.G 200.000 6000.000 27.02568 1 4.22248103E+00 2.59458278E-03-8.58480969E-07 1.30745002E-10-7.50339765E-15 2 2.20127593E+04-7.79447358E-02 2.30186735E+00 1.54157529E-02-3.13262156E-05 3 3.08816551E-08-1.11912353E-11 2.22277183E+04 8.14751135E+00 2.33781812E+04 4 HNCO J12/70H 1.N 1.C 1.O 1.G 200.000 6000.000 43.02508 1 5.29404664E+00 4.03039650E-03-1.41290348E-06 2.24428234E-10-1.32859380E-14 2 -1.41653759E+04-3.08763130E+00 2.24322454E+00 1.44986380E-02-1.52609054E-05 3 8.36364453E-09-1.72191967E-12-1.34257512E+04 1.21565469E+01-1.22316288E+04 4 HNO L12/89H 1.N 1.O 1. 0.G 200.000 6000.000 31.01408 1 3.16554762E+00 3.00005132E-03-3.94350282E-07-3.85787491E-11 7.08091931E-15 2 1.11944169E+04 7.64764695E+00 4.53525882E+00-5.68546910E-03 1.85199976E-05 3 -1.71883674E-08 5.55833090E-12 1.10398805E+04 1.74314734E+00 1.22716461E+04 4 HNO2 TPIS89H 1.N 1.O 2. 0.G 200.000 6000.000 47.01348 1 5.79182658E+00 3.65162663E-03-1.29293451E-06 2.06892932E-10-1.23154855E-14 2 -1.15655526E+04-4.05538525E+00 3.21415925E+00 8.12777920E-03 1.65999516E-06 3 -9.52815563E-09 4.87131816E-12-1.07532360E+04 9.82200021E+00-9.43554377E+03 4 HNO3 L 4/90H 1.N 1.O 3. 0.G 200.000 6000.000 63.01288 1 8.00379234E+00 4.49837533E-03-1.73648758E-06 2.93685555E-10-1.81478673E-14 2 -1.92563022E+04-1.60985546E+01 1.74492946E+00 1.88040888E-02-8.15963597E-06 3 -5.78584532E-09 4.43768083E-12-1.73805296E+04 1.69545524E+01-1.61059245E+04 4 HOCL J 3/79H 1.O 1.CL 1. 0.G 300.000 5000.000 52.46004 1 4.22501050E+00 2.31826750E-03-8.38423800E-07 1.41763980E-10-8.74699940E-15 2 -1.03686570E+04 3.59007556E+00 2.93205370E+00 6.93777440E-03-6.71918450E-06 3 3.15688660E-09-4.69658800E-13-1.00867990E+04 9.95256576E+00-8.95759158E+03 4 HOF J12/72H 1.O 1.F 1. 0.G 300.000 5000.000 36.00574 1 4.04643360E+00 2.44862830E-03-8.62835530E-07 1.42099040E-10-8.93569150E-15 2 -1.32090670E+04 3.34993292E+00 3.23109290E+00 3.73898570E-03 6.30097620E-07 3 -3.62150020E-09 1.78671330E-12-1.29547790E+04 7.75090362E+00-1.18259888E+04 4 HO2 L 5/89H 1.O 2. 0. 0.G 200.000 6000.000 33.00674 1 4.17228728E+00 1.88117647E-03-3.46277408E-07 1.94657853E-11 1.76254294E-16 2 6.18102964E+01 2.95767746E+00 4.30179801E+00-4.74912051E-03 2.11582891E-05 3 -2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00 1.50965000E+03 4 HSO3F J 6/72H 1.S 1.O 3.F 1.G 300.000 5000.000 100.07054 1 1.03641900E+01 5.38611640E-03-2.12315720E-06 3.82083430E-10-2.58070900E-14 2 -9.43983340E+04-2.60055034E+01 2.11924450E+00 3.15457100E-02-3.13178880E-05 3 1.24615070E-08-8.25146300E-13-9.23615960E+04 1.55596956E+01-9.05800898E+04 4 H2 TPIS78H 2. 0. 0. 0.G 200.000 6000.000 2.01588 1 2.93286579E+00 8.26607967E-04-1.46402335E-07 1.54100359E-11-6.88804432E-16 2 -8.13065597E+02-1.02432887E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05 3 2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01 0.00000000E+00 4 H2+ TPIS78H 2.E -1. 0. 0.G 298.150 6000.000 2.01533 1 3.44204765E+00 5.99083239E-04 6.69133685E-08-3.43574373E-11 1.97626599E-15 2 1.78649686E+05-2.79498949E+00 3.77256072E+00-1.95