!For the same molecule, these coefficients are in turn from GA method, SS-HO method, MS-T method, PO-N method, PI-N method, PI-A method THERMO 300.000 1500.000 5000.000 butane 1/09/17 C 4H 10 0 0G 300.000 5000.000 1389.000 31 1.25111478E+01 2.17280810E-02-7.42137846E-06 1.15096761E-09-6.67225580E-14 2 -2.19484307E+04-4.45250758E+01-5.40648380E-01 4.86999096E-02-2.78794895E-05 3 7.89204266E-09-8.74451380E-13-1.70012217E+04 2.69234218E+01 4 butane 1/09/17 C 4H 10 0 0G 300.000 5000.000 1365.000 31 1.31129632E+01 2.22322760E-02-7.82528828E-06 1.23839030E-09-7.28124265E-14 2 -2.29804294E+04-5.03894073E+01-6.89826982E-01 4.35712662E-02-1.48105139E-05 3 -1.52179926E-09 1.28392549E-12-1.69877176E+04 2.77939738E+01 4 butane 1/09/17 C 4H 10 0 0G 300.000 5000.000 1388.000 31 1.19389190E+01 2.21048884E-02-7.52673700E-06 1.16481201E-09-6.74222345E-14 2 -2.16727422E+04-4.08670155E+01 1.62382644E-01 4.49703724E-02-2.29641955E-05 3 5.18364670E-09-3.27819566E-13-1.70531998E+04 2.41361377E+01 4 butane 1/09/17 C 4H 10 0 0G 300.000 5000.000 1387.000 31 1.28607801E+01 2.14993879E-02-7.35727953E-06 1.14247749E-09-6.62887331E-14 2 -2.19072401E+04-4.56600050E+01 5.26056054E-01 4.60444810E-02-2.48205378E-05 3 6.28218135E-09-5.60237432E-13-1.71245724E+04 2.22197073E+01 4 butane 1/09/17 C 4H 10 0 0G 300.000 5000.000 1389.000 31 1.18921858E+01 2.21539958E-02-7.54539330E-06 1.16787402E-09-6.76056859E-14 2 -2.16561418E+04-4.05954147E+01-2.93893229E-02 4.58744589E-02-2.44385089E-05 3 6.15363203E-09-5.49816221E-13-1.70300262E+04 2.50166212E+01 4 butane 1/09/17 C 4H 10 0 0G 300.000 5000.000 1384.000 31 1.23752389E+01 2.21184610E-02-7.61699130E-06 1.18785964E-09-6.91282755E-14 2 -2.21430265E+04-4.42897013E+01-4.28830488E-01 4.60211733E-02-2.23774407E-05 3 4.14848773E-09-2.90179925E-14-1.70275681E+04 2.67208668E+01 4 pentane 1/09/17 C 5H 12 0 0G 300.000 5000.000 1390.000 41 1.57339380E+01 2.60939033E-02-8.90292870E-06 1.37978633E-09-7.99505039E-14 2 -2.60535062E+04-6.04004993E+01-7.66607343E-01 6.08376832E-02-3.59003491E-05 3 1.05550879E-08-1.22459948E-12-1.98886989E+04 2.96563835E+01 4 pentane 1/09/17 C 5H 12 0 0G 300.000 5000.000 1364.000 41 1.66893446E+01 2.66758091E-02-9.41934886E-06 1.49386108E-09-8.79652031E-14 2 -2.75756421E+04-6.96764664E+01-1.31449576E+00 5.54873259E-02-2.03887671E-05 3 -9.29857960E-10 1.43294096E-12-1.98799404E+04 3.19179113E+01 4 pentane 1/09/17 C 5H 12 0 0G 300.000 5000.000 1389.000 41 1.55798554E+01 2.64726056E-02-9.08711620E-06 1.41401391E-09-8.21619569E-14 2 -2.60412798E+04-5.94473376E+01-3.24520106E-01 5.82931994E-02-3.18113718E-05 3 8.08873735E-09-7.10501458E-13-1.99087111E+04 2.79868540E+01 4 pentane 1/09/17 C 5H 12 0 0G 300.000 5000.000 1387.000 41 1.63242749E+01 2.57492055E-02-8.81769961E-06 1.36991119E-09-7.95117674E-14 2 -2.59867167E+04-6.24413628E+01 9.80850529E-01 5.69019956E-02-3.17851352E-05 3 8.59333784E-09-8.78164857E-13-2.01063720E+04 2.17641072E+01 4 pentane 1/09/17 C 5H 12 0 0G 300.000 5000.000 1389.000 41 1.50088918E+01 2.66828768E-02-9.09887652E-06 1.40951889E-09-8.16439984E-14 2 -2.57144942E+04-5.56915925E+01 1.25433306E-01 5.63001408E-02-3.00763613E-05 3 7.48344422E-09-6.34965568E-13-1.99533495E+04 2.61971497E+01 4 pentane 1/09/17 C 5H 12 0 0G 300.000 5000.000 1379.000 41 1.62489315E+01 2.63149326E-02-9.12703640E-06 1.43034305E-09-8.35300268E-14 2 -2.68132927E+04-6.47660414E+01-1.20369080E+00 5.89949879E-02-2.92069537E-05 3 5.29843393E-09 3.49185708E-14-1.98818367E+04 3.19392895E+01 4 2-methylbutane C 5H 12 0 0G 300.000 5000.000 1389.000 41 1.58078299E+01 2.62571057E-02-9.00836299E-06 1.40129466E-09-8.14051570E-14 2 -2.68811049E+04-6.16642839E+01-1.36659435E+00 6.32305848E-02-3.90743241E-05 3 1.24824612E-08-1.65855590E-12-2.05164425E+04 3.18320738E+01 4 2-methylbutane C 5H 12 0 0G 300.000 5000.000 1365.000 41 1.68340922E+01 2.65214120E-02-9.35865259E-06 1.48357413E-09-8.73321376E-14 2 -2.80761405E+04-7.02240576E+01-9.88923806E-01 5.55991518E-02-2.14787864E-05 3 1.82289730E-11 1.19197798E-12-2.05025444E+04 3.01707948E+01 4 2-methylbutane C 5H 12 0 0G 300.000 5000.000 1388.000 41 1.53131130E+01 2.65034713E-02-9.05497167E-06 1.40457900E-09-8.14350736E-14 2 -2.65896682E+04-5.82953444E+01-2.44265206E-01 5.77995207E-02-3.16027111E-05 3 8.13303904E-09-7.37425857E-13-2.06121620E+04 2.71639005E+01 4 2-methylbutane C 5H 12 0 0G 300.000 5000.000 1390.000 41 1.67932336E+01 2.53196217E-02-8.66251690E-06 1.34495330E-09-7.80286176E-14 2 -2.67906150E+04-6.56084065E+01 9.55445072E-02 6.23714096E-02-4.02401436E-05 3 1.37657185E-08-1.99359775E-12-2.07099936E+04 2.49058979E+01 4 2-methylbutane C 5H 12 0 0G 300.000 5000.000 1391.000 41 1.52500647E+01 2.64322824E-02-9.00234153E-06 1.39340161E-09-8.06631677E-14 2 -2.64663798E+04-5.77013132E+01-5.83471535E-01 6.02336890E-02-3.61101851E-05 3 1.11721787E-08-1.43027179E-12-2.05699762E+04 2.85960030E+01 4 2-methylbutane C 5H 12 0 0G 300.000 5000.000 1384.000 41 1.56615357E+01 2.65806865E-02-9.16452959E-06 1.43034569E-09-8.32869374E-14 2 -2.68816784E+04-6.11672510E+01-5.23483031E-01 5.87787503E-02-3.22346344E-05 3 8.39717212E-09-8.07198613E-13-2.05874738E+04 2.79351066E+01 4 hexane 1/09/17 C 6H 14 0 0G 300.000 5000.000 1390.000 51 1.89599955E+01 3.04593714E-02-1.03851888E-05 1.60882555E-09-9.31964390E-14 2 -3.01636785E+04-7.63001661E+01-9.85048414E-01 7.29676383E-02-4.39679998E-05 3 1.32850480E-08-1.59710380E-12-2.27777783E+04 3.23503750E+01 4 hexane 1/09/17 C 6H 14 0 0G 300.000 5000.000 1362.000 51 2.02821929E+01 3.10968487E-02-1.10037499E-05 1.74762484E-09-1.03010487E-13 2 -3.21361903E+04-8.90445421E+01-1.86191204E+00 6.71285664E-02-2.55693765E-05 3 -5.91194518E-10 1.63989692E-12-2.27507922E+04 3.56680817E+01 4 hexane 1/09/17 C 6H 14 0 0G 300.000 5000.000 1390.000 51 1.89545074E+01 3.08266298E-02-1.05902136E-05 1.64884012E-09-9.58459557E-14 2 -3.02290211E+04-7.63448830E+01-9.98643212E-01 7.23540343E-02-4.23211089E-05 3 1.21722065E-08-1.36136984E-12-2.27136200E+04 3.27482540E+01 4 hexane 1/09/17 C 6H 14 0 0G 300.000 5000.000 1386.000 51 1.96429162E+01 3.01687735E-02-1.03477276E-05 1.60941849E-09-9.34885100E-14 2 -3.00802370E+04-7.86295265E+01 1.23854354E+00 6.66235601E-02-3.57583696E-05 3 8.65198721E-09-6.51547516E-13-2.29608888E+04 2.26560631E+01 4 hexane 1/09/17 C 6H 14 0 0G 300.000 5000.000 1390.000 51 1.80716432E+01 3.12422853E-02-1.06592064E-05 1.65182533E-09-9.57036259E-14 2 -2.97175075E+04-7.05838570E+01 1.75823487E-01 6.69413699E-02-3.58922226E-05 3 8.85410039E-09-7.16075169E-13-2.28183976E+04 2.78153156E+01 4 hexane 1/09/17 C 6H 14 0 0G 300.000 5000.000 1378.000 51 2.00728815E+01 3.06504528E-02-1.07057720E-05 1.68565094E-09-9.87617750E-14 2 -3.14441306E+04-8.51569457E+01-2.17025434E+00 7.27526737E-02-3.71239955E-05 3 7.11959673E-09-5.08148544E-14-2.26702081E+04 3.79079701E+01 4 2-methylpentane C 6H 14 0 0G 300.000 5000.000 1392.000 51 1.89290786E+01 3.07687484E-02-1.05522150E-05 1.64099512E-09-9.53106105E-14 2 -3.09368149E+04-7.69442511E+01-1.37474155E+00 7.45753082E-02-4.61173602E-05 3 1.46402660E-08-1.91265095E-12-2.34412975E+04 3.35212925E+01 4 2-methylpentane C 6H 14 0 0G 300.000 5000.000 1364.000 51 2.04131411E+01 3.09571903E-02-1.09488271E-05 1.73831258E-09-1.02437200E-13 2 -3.26323698E+04-8.95270322E+01-1.65117826E+00 6.76531698E-02-2.72367231E-05 3 7.07416882E-10 1.32207911E-12-2.33480269E+04 3.44749126E+01 4 2-methylpentane C 6H 14 0 0G 300.000 5000.000 1389.000 51 1.87977291E+01 3.09673506E-02-1.06403287E-05 1.65681848E-09-9.63165517E-14 2 -3.09004612E+04-7.62492270E+01-6.94817915E-01 7.09082465E-02-4.04200900E-05 3 1.11515857E-08-1.16412635E-12-2.34845597E+04 3.05671406E+01 4 2-methylpentane C 6H 14 0 0G 300.000 5000.000 1390.000 51 2.04126354E+01 2.94780468E-02-1.01002073E-05 1.56973282E-09-9.11325703E-14 2 -3.08954731E+04-8.34386254E+01 4.56243446E-01 7.44794667E-02-4.94199252E-05 3 1.75573144E-08-2.65281234E-12-2.36924494E+04 2.44983114E+01 4 2-methylpentane C 6H 14 0 0G 300.000 5000.000 1391.000 51 1.85358647E+01 3.08142605E-02-1.05039601E-05 1.62678992E-09-9.42130599E-14 2 -3.05275437E+04-7.39518446E+01-5.93683384E-01 7.26266260E-02-4.53203047E-05 3 1.48903434E-08-2.06124372E-12-2.34994016E+04 2.99670853E+01 4 2-methylpentane C 6H 14 0 0G 300.000 5000.000 1381.000 51 1.94012800E+01 3.09332669E-02-1.07369210E-05 1.68337605E-09-9.83335761E-14 2 -3.14509820E+04-8.08630963E+01-1.05439263E+00 7.06916336E-02-3.76243754E-05 3 8.72811646E-09-5.73000767E-13-2.34382416E+04 3.20228192E+01 4 3-methylpentane C 6H 14 0 0G 300.000 5000.000 1392.000 51 1.89290786E+01 3.07687484E-02-1.05522150E-05 1.64099512E-09-9.53106105E-14 2 -3.05341979E+04-7.69442511E+01-1.37474155E+00 7.45753082E-02-4.61173602E-05 3 1.46402660E-08-1.91265095E-12-2.30386805E+04 3.35212925E+01 4 3-methylpentane C 6H 14 0 0G 300.000 5000.000 1364.000 51 2.03881074E+01 3.09728828E-02-1.09529153E-05 1.73880532E-09-1.02459774E-13 2 -3.22693545E+04-8.93197628E+01-1.65505676E+00 6.77365932E-02-2.74636702E-05 3 8.88324943E-10 1.27670092E-12-2.30016523E+04 3.45310437E+01 4 3-methylpentane C 6H 14 0 0G 300.000 5000.000 1389.000 51 1.85834046E+01 3.10406273E-02-1.06424264E-05 1.65480219E-09-9.61065348E-14 2 -3.05235702E+04-7.47716239E+01-9.77813720E-01 7.04568102E-02-3.88715841E-05 3 9.87329092E-09-8.34523391E-13-2.30441728E+04 3.26082382E+01 4 3-methylpentane C 6H 14 0 0G 300.000 5000.000 1389.000 51 2.00110556E+01 2.98318916E-02-1.02257131E-05 1.58973200E-09-9.23151574E-14 2 -3.04987886E+04-8.09610848E+01 5.88655424E-01 7.14995768E-02-4.39013336E-05 3 1.38830152E-08-1.81884098E-12-2.32890803E+04 2.48204824E+01 4 3-methylpentane C 6H 14 0 0G 300.000 5000.000 1389.000 51 1.81420502E+01 3.11940347E-02-1.06457396E-05 1.65010333E-09-9.56202794E-14 2 -3.01593194E+04-7.15750483E+01-4.49393639E-01 6.92721477E-02-3.89685413E-05 3 1.06193124E-08-1.08734343E-12-2.30891724E+04 3.03012288E+01 4 3-methylpentane C 6H 14 0 0G 300.000 5000.000 1379.000 51 1.94286684E+01 3.10612636E-02-1.08150973E-05 1.69916549E-09-9.93993998E-14 2 -3.11954874E+04-8.14545653E+01-7.90930438E-01 6.92814937E-02-3.53347723E-05 3 7.36430129E-09-2.96964513E-13-2.31446539E+04 3.05499263E+01 4 2,3-dimethylbutae C 6H 14 0 0G 300.000 5000.000 1390.000 51 1.90803760E+01 3.08178514E-02-1.06086593E-05 1.65393671E-09-9.62318260E-14 2 -3.18000456E+04-8.00159065E+01-2.06510836E+00 7.72371295E-02-4.95214807E-05 3 1.66223939E-08-2.34468288E-12-2.40521228E+04 3.47826614E+01 4 2,3-dimethylbutae C 6H 14 0 0G 300.000 5000.000 1365.000 51 2.05270039E+01 3.08194344E-02-1.08916009E-05 1.72831899E-09-1.01810796E-13 2 -3.27287889E+04-9.11849103E+01-1.30887890E+00 6.77851738E-02-2.84851988E-05 3 1.79988302E-09 1.04354584E-12-2.35928965E+04 3.13238104E+01 4 2,3-dimethylbutae C 6H 14 0 0G 300.000 5000.000 1390.000 51 1.87676624E+01 3.07334755E-02-1.05036871E-05 1.62977349E-09-9.45140410E-14 2 -3.10868783E+04-7.76090894E+01-1.28018955E+00 7.28928765E-02-4.30851563E-05 3 1.25601229E-08-1.42260603E-12-2.36038297E+04 3.18066869E+01 4 2,3-dimethylbutae C 6H 14 0 0G 300.000 5000.000 1392.000 51 2.03976257E+01 2.94583602E-02-1.00861144E-05 1.56676263E-09-9.09281438E-14 2 -3.11369680E+04-8.52868071E+01-3.94137322E-01 7.79659395E-02-5.44406279E-05 3 2.05687900E-08-3.29747736E-12-2.37967307E+04 2.65893377E+01 4 2,3-dimethylbutae C 6H 14 0 0G 300.000 5000.000 1391.000 51 1.82918175E+01 3.10019160E-02-1.05644431E-05 1.63579569E-09-9.47200552E-14 2 -3.07042576E+04-7.43962523E+01-8.52792165E-01 7.27297424E-02-4.51564745E-05 3 1.47315674E-08-2.02161291E-12-2.36593886E+04 2.96452318E+01 4 2,3-dimethylbutae C 6H 14 0 0G 300.000 5000.000 1386.000 51 1.86735214E+01 3.12768922E-02-1.07915737E-05 1.68500264E-09-9.81409910E-14 2 -3.10753424E+04-7.80109075E+01-4.50178792E-01 7.09382982E-02-4.16894205E-05 3 1.25928663E-08-1.59791833E-12-2.37717028E+04 2.67428380E+01 4 heptane 1/09/17 C 7H 16 0 0G 300.000 5000.000 1390.000 61 2.22682861E+01 3.46514653E-02-1.17859466E-05 1.82297677E-09-1.05490740E-13 2 -3.42872240E+04-9.26723758E+01-1.28149569E+00 8.54719242E-02-5.25284126E-05 3 1.62275728E-08-1.99612145E-12-2.56562920E+04 3.53469567E+01 4 heptane 1/09/17 C 7H 16 0 0G 300.000 5000.000 1362.000 61 2.38430631E+01 3.55242243E-02-1.25855082E-05 2.00045583E-09-1.17979863E-13 2 -3.67233984E+04-1.08218124E+02-2.56642426E+00 7.93998916E-02-3.16762153E-05 3 2.98490231E-10 1.73167802E-12-2.56409568E+04 4.01619890E+01 4 heptane 1/09/17 C 7H 16 0 0G 300.000 5000.000 1389.000 61 2.23720453E+01 3.52078467E-02-1.21168583E-05 1.88882442E-09-1.09890497E-13 2 -3.44387628E+04-9.36851122E+01-1.02844942E+00 8.39520823E-02-4.93923095E-05 3 1.42607321E-08-1.59913634E-12-2.56328335E+04 3.42355443E+01 4 heptane 1/09/17 C 7H 16 0 0G 300.000 5000.000 1387.000 61 2.29585136E+01 3.45424214E-02-1.18506101E-05 1.84346526E-09-1.07096352E-13 2 -3.41706175E+04-9.49457423E+01 1.45628368E+00 7.76894156E-02-4.26804248E-05 3 1.08504313E-08-9.35560311E-13-2.59116361E+04 2.31860613E+01 4 heptane 1/09/17 C 7H 16 0 0G 300.000 5000.000 1389.000 61 2.12247447E+01 3.57231767E-02-1.21930074E-05 1.89012332E-09-1.09537549E-13 2 -3.38222248E+04-8.62749814E+01 1.30007859E-01 7.80025628E-02-4.22792044E-05 3 1.05760017E-08-8.78431640E-13-2.57193651E+04 2.96272174E+01 4 heptane 1/09/17 C 7H 16 0 0G 300.000 5000.000 1374.000 61 2.39814597E+01 3.48011176E-02-1.21964051E-05 1.92472550E-09-1.12949626E-13 2 -3.61251299E+04-1.05991974E+02-2.33557880E+00 8.31573013E-02-4.00647911E-05 3 5.80116505E-09 5.69543787E-13-2.56368569E+04 4.00660650E+01 4 2-methylhexane C 7H 16 0 0G 300.000 5000.000 1392.000 61 2.21557631E+01 3.51066451E-02-1.20186729E-05 1.86688886E-09-1.08345207E-13 2 -3.50367741E+04-9.32294738E+01-1.70068493E+00 8.71868999E-02-5.48781431E-05 3 1.77597546E-08-2.36132096E-12-2.63143424E+04 3.63090885E+01 4 2-methylhexane C 7H 16 0 0G 300.000 5000.000 1365.000 61 2.41275766E+01 3.52669617E-02-1.24930072E-05 1.98560113E-09-1.17097312E-13 2 -3.72522600E+04-1.09523861E+02-2.87906520E+00 8.26799404E-02-3.75540749E-05 3 4.21623485E-09 8.36170074E-13-2.61521911E+04 4.13447351E+01 4 2-methylhexane C 7H 16 0 0G 300.000 5000.000 1388.000 61 2.19424599E+01 3.55551799E-02-1.22323780E-05 1.90637591E-09-1.10891974E-13 2 -3.50045968E+04-9.22185776E+01-4.85113525E-01 8.10643410E-02-4.55760975E-05 3 1.22022857E-08-1.19735816E-12-2.64260591E+04 3.08420466E+01 4 2-methylhexane C 7H 16 0 0G 300.000 5000.000 1390.000 61 2.38112970E+01 3.37948374E-02-1.15869570E-05 1.80165979E-09-1.04634239E-13 2 -3.50023606E+04-1.00483367E+02 9.06377823E-01 8.41630829E-02-5.38221800E-05 3 1.80159110E-08-2.52877361E-12-2.66298038E+04 2.38175949E+01 4 2-methylhexane C 7H 16 0 0G 300.000 5000.000 1391.000 61 2.16461675E+01 3.53376439E-02-1.20533318E-05 1.86757849E-09-1.08193338E-13 2 -3.45906290E+04-8.94775154E+01-3.91113337E-01 8.26486085E-02-5.02217113E-05 3 1.57127440E-08-2.02715077E-12-2.64245776E+04 3.05145017E+01 4 2-methylhexane C 7H 16 0 0G 300.000 5000.000 1379.000 61 2.32525361E+01 3.51791416E-02-1.22704884E-05 1.93018680E-09-1.13013203E-13 2 -3.61081268E+04-1.01417270E+02-1.63084241E+00 8.27590197E-02-4.30386772E-05 3 8.97839684E-09-3.07113541E-13-2.63171664E+04 3.61243695E+01 4 3-methylhexane C 7H 16 0 0G 300.000 5000.000 1392.000 61 2.21557631E+01 3.51066451E-02-1.20186729E-05 1.86688886E-09-1.08345207E-13 2 -3.46341571E+04-9.22229313E+01-1.70068493E+00 8.71868999E-02-5.48781431E-05 3 1.77597546E-08-2.36132096E-12-2.59117254E+04 3.73156310E+01 4 3-methylhexane C 7H 16 0 0G 300.000 5000.000 1364.000 61 2.39202342E+01 3.54231084E-02-1.25421785E-05 1.99276598E-09-1.17493157E-13 2 -3.67425041E+04-1.08334577E+02-2.40424400E+00 8.01199112E-02-3.37275791E-05 3 1.87793661E-09 1.34581473E-12-2.57765869E+04 3.92522438E+01 4 3-methylhexane C 7H 16 0 0G 300.000 5000.000 1389.000 61 2.12879759E+01 3.59412390E-02-1.23279447E-05 1.91737442E-09-1.11373751E-13 2 -3.43777828E+04-8.75278520E+01-9.15214946E-01 8.07820820E-02-4.47507234E-05 3 1.16127302E-08-1.05395736E-12-2.58787911E+04 3.43515291E+01 4 3-methylhexane C 7H 16 0 0G 300.000 5000.000 1391.000 61 2.40669284E+01 3.35542818E-02-1.14979979E-05 1.78708783E-09-1.03756001E-13 2 -3.45732150E+04-1.01242656E+02 4.04459178E-01 8.84324291E-02-6.13061887E-05 3 2.29573832E-08-3.65056019E-12-2.61852502E+04 2.61988907E+01 4 3-methylhexane C 7H 16 0 0G 300.000 5000.000 1392.000 61 2.19401759E+01 3.50416227E-02-1.19408729E-05 1.84893848E-09-1.07063776E-13 2 -3.42030169E+04-9.05096864E+01-8.48730941E-01 8.61631566E-02-5.60839961E-05 3 1.94532318E-08-2.85588645E-12-2.59717768E+04 3.28063820E+01 4 3-methylhexane C 7H 16 0 0G 300.000 5000.000 1376.000 61 2.32758774E+01 3.53490921E-02-1.23722833E-05 1.95066492E-09-1.14394123E-13 2 -3.57791258E+04-1.01424021E+02-1.56186900E+00 8.17308594E-02-4.10387240E-05 3 7.74798636E-09-6.15372672E-14-2.58645074E+04 3.63117163E+01 4 2,2-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1396.000 61 2.39770254E+01 3.30907850E-02-1.12266035E-05 1.73373308E-09-1.00223936E-13 2 -3.66577923E+04-1.06215141E+02-3.47992740E+00 9.72706773E-02-6.83743299E-05 3 2.48067487E-08-3.66519509E-12-2.71678982E+04 4.11618773E+01 4 2,2-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1367.000 61 2.43129410E+01 3.50470399E-02-1.24023355E-05 1.96982679E-09-1.16110737E-13 2 -3.80579788E+04-1.11313794E+02-2.26184726E+00 8.26479124E-02-3.92365575E-05 3 5.79015647E-09 4.25327640E-13-2.72086003E+04 3.68424433E+01 4 2,2-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1392.000 61 2.29206324E+01 3.46461656E-02-1.19020135E-05 1.85309954E-09-1.07722027E-13 2 -3.63731470E+04-1.00375881E+02-2.16716652E+00 9.02383856E-02-5.86204790E-05 3 1.96629995E-08-2.72046466E-12-2.72929936E+04 3.55400041E+01 4 2,2-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1392.000 61 2.45611162E+01 3.31104376E-02-1.13393439E-05 1.76172764E-09-1.02254714E-13 2 -3.61228018E+04-1.07116870E+02 3.28230369E-01 9.12454675E-02-6.64859871E-05 3 2.63675442E-08-4.41776144E-12-2.77177192E+04 2.27248546E+01 4 2,2-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1393.000 61 2.23408113E+01 3.47011691E-02-1.18227592E-05 1.83038118E-09-1.05976783E-13 2 -3.57291220E+04-9.59801318E+01-1.08618903E+00 8.94280589E-02-6.18857486E-05 3 2.32575719E-08-3.71298925E-12-2.74715009E+04 3.00399268E+01 4 2,2-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1387.000 61 2.30716601E+01 3.48602341E-02-1.20526743E-05 1.88470166E-09-1.09891902E-13 2 -3.66188086E+04-1.01877699E+02-1.86929333E+00 8.82000995E-02-5.48638049E-05 3 1.73277494E-08-2.24145355E-12-2.73552392E+04 3.40013077E+01 4 3,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1396.000 61 2.39770254E+01 3.30907850E-02-1.12266035E-05 1.73373308E-09-1.00223936E-13 2 -3.58525582E+04-1.05812524E+02-3.47992740E+00 9.72706773E-02-6.83743299E-05 3 2.48067487E-08-3.66519509E-12-2.63626641E+04 4.15644943E+01 4 3,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1367.000 61 2.42515846E+01 3.51017689E-02-1.24218073E-05 1.97292904E-09-1.16293946E-13 2 -3.77377564E+04-1.12493967E+02-2.35116170E+00 8.28291785E-02-3.94757980E-05 3 5.94987832E-09 3.86632028E-13-2.68812161E+04 3.57967614E+01 4 3,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1385.000 61 2.28246287E+01 3.47617369E-02-1.19521604E-05 1.86221571E-09-1.08311814E-13 2 -3.59501047E+04-9.92931725E+01-5.70618725E-01 8.13033486E-02-4.42203051E-05 3 1.05190844E-08-6.97019411E-13-2.69736755E+04 2.92991512E+01 4 3,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1395.000 61 2.49530468E+01 3.26135402E-02-1.11316150E-05 1.72551648E-09-9.99929558E-14 2 -3.56734005E+04-1.09102599E+02 1.66725744E-01 9.37073577E-02-7.06979294E-05 3 2.89242344E-08-4.94761080E-12-2.72684725E+04 2.30766968E+01 4 3,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1395.000 61 2.26409861E+01 3.42461880E-02-1.16224774E-05 1.79467681E-09-1.03720322E-13 2 -3.52887636E+04-9.75545100E+01-1.20150592E+00 9.08713014E-02-6.41812997E-05 3 2.45088767E-08-3.94092617E-12-2.70153087E+04 3.03077514E+01 4 3,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1384.000 61 2.30108814E+01 3.50666739E-02-1.21585766E-05 1.90487910E-09-1.11215371E-13 2 -3.62546032E+04-1.01607948E+02-1.32750879E+00 8.54980489E-02-5.07846794E-05 3 1.49424768E-08-1.75596313E-12-2.70256117E+04 3.16091914E+01 4 2,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1392.000 61 2.23087208E+01 3.51889113E-02-1.20934687E-05 1.88335676E-09-1.09496706E-13 2 -3.54972444E+04-9.45614101E+01-2.86858984E+00 9.20329358E-02-6.15248747E-05 3 2.17325293E-08-3.22731480E-12-2.64523350E+04 4.15288970E+01 4 2,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1365.000 61 2.40264954E+01 3.52968325E-02-1.24900786E-05 1.98369836E-09-1.16925894E-13 2 -3.70053381E+04-1.09300295E+02-1.97620891E+00 7.98359603E-02-3.43455681E-05 3 2.58502824E-09 1.15037096E-12-2.61994582E+04 3.63661410E+01 4 2,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1390.000 61 2.15140109E+01 3.56568483E-02-1.22101015E-05 1.89697954E-09-1.10107034E-13 2 -3.47937830E+04-9.00297530E+01-1.17108902E+00 8.21325585E-02-4.65109841E-05 3 1.24877278E-08-1.20466526E-12-2.62009228E+04 3.42193790E+01 4 2,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1391.000 61 2.41832331E+01 3.34114969E-02-1.14382430E-05 1.77660536E-09-1.03096950E-13 2 -3.48244928E+04-1.03104782E+02 1.41710380E+00 8.65474864E-02-6.03177922E-05 3 2.29646026E-08-3.73462150E-12-2.67593545E+04 1.94376032E+01 4 2,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1391.000 61 2.18495454E+01 3.51490997E-02-1.19834953E-05 1.85607411E-09-1.07495790E-13 2 -3.44453631E+04-9.11588175E+01 1.32318999E-01 8.34687650E-02-5.35097706E-05 3 1.84353591E-08-2.71695314E-12-2.65276720E+04 2.65555576E+01 4 2,3-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1381.000 61 2.24983983E+01 3.56939653E-02-1.24178603E-05 1.94985046E-09-1.14016886E-13 2 -3.55007772E+04-9.72147053E+01-8.51989400E-01 8.17692962E-02-4.50718601E-05 3 1.16737666E-08-1.10749606E-12-2.63665590E+04 3.14964040E+01 4 2,4-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1392.000 61 2.23087208E+01 3.51889113E-02-1.20934687E-05 1.88335676E-09-1.09496706E-13 2 -3.58998614E+04-9.59202425E+01-2.86858984E+00 9.20329358E-02-6.15248747E-05 3 2.17325293E-08-3.22731480E-12-2.68549520E+04 4.01700646E+01 4 2,4-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1366.000 61 2.42187065E+01 3.51592443E-02-1.24486581E-05 1.97789081E-09-1.16615264E-13 2 -3.79421271E+04-1.11745255E+02-2.58731171E+00 8.27345375E-02-3.85043054E-05 3 5.07405240E-09 6.14439594E-13-2.69645427E+04 3.78391538E+01 4 2,4-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1396.000 61 2.36074362E+01 3.38648153E-02-1.15869269E-05 1.79903222E-09-1.04371813E-13 2 -3.61538611E+04-1.03809885E+02-3.64198207E+00 1.02002560E-01-7.89404942E-05 3 3.28897915E-08-5.68522362E-12-2.70301281E+04 4.11269278E+01 4 2,4-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1392.000 61 2.51774023E+01 3.25011405E-02-1.11089191E-05 1.72355049E-09-9.99391792E-14 2 -3.57635615E+04-1.10176446E+02 8.30612570E-01 9.48769149E-02-7.53852227E-05 3 3.29461501E-08-5.99919437E-12-2.76555453E+04 1.89693330E+01 4 2,4-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1393.000 61 2.28584101E+01 3.41409279E-02-1.16020380E-05 1.79300408E-09-1.03680077E-13 2 -3.53754952E+04-9.86320397E+01-7.17217589E-01 9.28685468E-02-7.01009360E-05 3 2.92772944E-08-5.15218057E-12-2.73811673E+04 2.69750591E+01 4 2,4-dimethylpentane C 7H 16 0 0G 300.000 5000.000 1382.000 61 2.26818330E+01 3.54703595E-02-1.23256579E-05 1.93388448E-09-1.13023440E-13 2 -3.63701419E+04-9.92691240E+01-9.37226583E-01 8.23290110E-02-4.56084450E-05 3 1.17715631E-08-1.08302084E-12-2.71868522E+04 3.07812395E+01 4 3-ethylpentane C 7H 16 0 0G 300.000 5000.000 1392.000 61 2.21557631E+01 3.51066451E-02-1.20186729E-05 1.86688886E-09-1.08345207E-13 2 -3.42315401E+04-9.38837265E+01-1.70068493E+00 8.71868999E-02-5.48781431E-05 3 1.77597546E-08-2.36132096E-12-2.55091084E+04 3.56548359E+01 4 3-ethylpentane C 7H 16 0 0G 300.000 5000.000 1364.000 61 2.38893844E+01 3.54471206E-02-1.25499333E-05 1.99391791E-09-1.17557751E-13 2 -3.65062766E+04-1.08968292E+02-2.51018387E+00 8.05195624E-02-3.43367916E-05 3 2.26713866E-09 1.25810303E-12-2.55316375E+04 3.89552689E+01 4 3-ethylpentane C 7H 16 0 0G 300.000 5000.000 1385.000 61 2.32260042E+01 3.45968498E-02-1.19343751E-05 1.86352372E-09-1.08553656E-13 2 -3.49372794E+04-1.00789090E+02-1.42056838E+00 8.47191759E-02-4.82007328E-05 3 1.25536238E-08-1.08878041E-12-2.55926421E+04 3.42896519E+01 4 3-ethylpentane C 7H 16 0 0G 300.000 5000.000 1390.000 61 2.40648284E+01 3.33991526E-02-1.14102652E-05 1.76986746E-09-1.02611818E-13 2 -3.41144316E+04-1.01916705E+02 2.41765441E+00 8.13033424E-02-5.21258314E-05 3 1.77505143E-08-2.56463096E-12-2.62128232E+04 1.54833291E+01 4 3-ethylpentane C 7H 16 0 0G 300.000 5000.000 1389.000 61 2.19466935E+01 3.50340745E-02-1.19380760E-05 1.84850107E-09-1.07038863E-13 2 -3.38027368E+04-9.13699853E+01 1.46765278E+00 7.72598377E-02-4.38499574E-05 3 1.22996633E-08-1.34597447E-12-2.60291858E+04 2.07729965E+01 4 3-ethylpentane C 7H 16 0 0G 300.000 5000.000 1373.000 61 2.33849191E+01 3.53876650E-02-1.24156606E-05 1.96064992E-09-1.15108133E-13 2 -3.56629800E+04-1.03200909E+02-1.41033983E+00 8.07497643E-02-3.92298697E-05 3 6.60557030E-09 1.77169353E-13-2.56534433E+04 3.46635587E+01 4 END