AR 0 136.500 3.330 0.000 0.000 0.000 C 0 71.400 3.298 0.000 0.000 0.000 ! * CH 1 80.000 2.750 0.000 0.000 0.000 CH* 1 80.000 2.750 0.000 0.000 0.000 !CH2 1 144.000 3.800 0.000 0.000 0.000 !CH2* 1 144.000 3.800 0.000 0.000 0.000 !CH3 1 144.000 3.800 0.000 0.000 0.000 CH2 2 144.000 3.800 0.000 0.000 1.000 CH2* 2 144.000 3.800 0.000 0.000 1.000 CH3 2 144.000 3.800 0.000 0.000 1.000 CH4 2 141.400 3.746 0.000 2.600 13.000 CO 1 98.100 3.650 0.000 1.950 1.800 CO2 1 244.000 3.763 0.000 2.650 2.100 HCO 2 498.000 3.590 0.000 0.000 0.000 CH2O 2 498.000 3.590 0.000 0.000 2.000 CH2OH 2 417.000 3.690 1.700 0.000 2.000 CH3O 2 417.000 3.690 1.700 0.000 2.000 CH3OH 2 481.800 3.626 0.000 0.000 1.000 ! SVE C2 1 97.530 3.621 0.000 1.760 4.000 C2O 1 232.400 3.828 0.000 0.000 1.000 ! * C2H 1 209.000 4.100 0.000 0.000 2.500 C2H2 1 209.000 4.100 0.000 0.000 2.500 H2CC 2 209.000 4.100 0.000 0.000 2.500 C2H3 2 209.000 4.100 0.000 0.000 1.000 ! * C2H4 2 280.800 3.971 0.000 0.000 1.500 C2H5 2 252.300 4.302 0.000 0.000 1.500 C2H6 2 252.300 4.302 0.000 0.000 1.500 HCCO 2 150.000 2.500 0.000 0.000 1.000 ! * HCCOH 2 436.000 3.970 0.000 0.000 2.000 CH2CO 2 436.000 3.970 0.000 0.000 2.000 CH2CHO 2 436.000 3.970 0.000 0.000 2.000 C2H2OH 2 224.700 4.162 0.000 0.000 1.000 ! * C3H2 2 209.000 4.100 0.000 0.000 1.000 ! * C3H3 2 252.000 4.760 0.000 0.000 1.000 ! JAM !aC3H4 1 252.000 4.760 0.000 0.000 1.000 !pC3H4 1 252.000 4.760 0.000 0.000 1.000 aC3H4 2 252.000 4.760 0.000 0.000 1.000 pC3H4 2 252.000 4.760 0.000 0.000 1.000 cC3H4 1 252.000 4.760 0.000 0.000 1.000 CH2OCH2 1 252.000 4.760 0.000 0.000 1.000 CH2OCH 1 252.000 4.760 0.000 0.000 1.000 CH3CH2CHO 1 252.000 4.760 0.000 0.000 1.000 C4H 1 357.000 5.180 0.000 0.000 1.000 C4H2 1 357.000 5.180 0.000 0.000 1.000 H2C4O 2 357.000 5.180 0.000 0.000 1.000 ! JAM C4H2OH 2 224.700 4.162 0.000 0.000 1.000 ! * iC4H3 2 357.000 5.180 0.000 0.000 1.000 ! JAM nC4H3 2 357.000 5.180 0.000 0.000 1.000 ! JAM C4H4 2 357.000 5.180 0.000 0.000 1.000 ! JAM iC4H5 2 357.000 5.180 0.000 0.000 1.000 ! JAM nC4H5 2 357.000 5.180 0.000 0.000 1.000 ! JAM C4H5-2 2 357.000 5.180 0.000 0.000 1.000 ! C4H6 2 357.000 5.180 0.000 0.000 1.000 C4H6-2 2 357.000 5.180 0.000 0.000 1.000 C4H612 2 357.000 5.180 0.000 0.000 1.000 CH3CHOCH2 2 357.000 5.180 0.000 0.000 1.000 C5H2 1 357.000 5.180 0.000 0.000 1.000 C5H3 1 357.000 5.180 0.000 0.000 1.000 C5H5 1 357.000 5.180 0.000 0.000 1.000 C5H6 1 357.000 5.180 0.000 0.000 1.000 lC5H7 1 357.000 5.180 0.000 0.000 1.000 C4H6O25 1 357.000 5.180 0.000 0.000 1.000 C4H6O23 1 357.000 5.180 0.000 0.000 1.000 C4H4O 1 357.000 5.180 0.000 0.000 1.000 CH2CHCO 1 357.000 5.180 0.000 0.000 1.000 !CH3CHOCH2 1 357.000 5.180 0.000 0.000 1.000 !CH2CHCHCHO 1 357.000 5.180 0.000 0.000 1.000 CH2CHCHCHO 2 357.000 5.180 0.000 0.000 1.000 CH3CHCHCO 1 357.000 5.180 0.000 0.000 1.000 C2H3CHOCH2 1 357.000 5.180 0.000 0.000 1.000 CH3CHCHCHO 1 357.000 5.180 0.000 0.000 1.000 C6H 1 357.000 5.180 0.000 0.000 1.000 C6H2 1 357.000 5.180 0.000 0.000 1.000 C6H3 2 357.000 5.180 0.000 0.000 1.000 ! l-C6H4 2 412.300 5.349 0.000 0.000 1.000 !(JAM) nC6H5 2 412.300 5.349 0.000 0.000 1.000 !(JAM) i-C6H5 2 412.300 5.349 0.000 0.000 1.000 !(JAM) l-C6H6 2 412.300 5.349 0.000 0.000 1.000 !(SVE) n-C6H7 2 412.300 5.349 0.000 0.000 1.000 !(JAM) i-C6H7 2 412.300 5.349 0.000 0.000 1.000 !(JAM) C6H8 2 412.300 5.349 0.000 0.000 1.000 !(JAM) HE 0 10.200 2.576 0.000 0.000 0.000 ! * H 0 145.000 2.050 0.000 0.000 0.000 H2 1 38.000 2.920 0.000 0.790 280.000 H2O 2 572.400 2.605 1.844 0.000 4.000 H2O2 2 107.400 3.458 0.000 0.000 3.800 HO2 2 107.400 3.458 0.000 0.000 1.000 ! * N2 1 97.530 3.621 0.000 1.760 4.000 O 0 80.000 2.750 0.000 0.000 0.000 O2 1 107.400 3.458 0.000 1.600 3.800 OH 1 80.000 2.750 0.000 0.000 0.000 OH* 1 80.000 2.750 0.000 0.000 0.000 !The Lennard-Jones parameters of polycyclic aromatic hydrocarbons were estimated !based on the critical temperature and pressure. See H. Wang and M. Frenklach, !"Transport Properties of Polycyclic Aromatic Hydrocarbons for Flame Modeling." !Combustion and Flame, 96:163-170 (1994) c-C6H4 2 464.8 5.29 0.00 10.32 0.000 ! benze C6H6 2 464.8 5.29 0.00 10.32 0.000 ! benze C6H5 2 464.8 5.29 0.00 10.32 0.000 ! benze C6H5CH3 2 495.3 5.68 0.43 12.30 1.000 ! C6H5C2H3 2 546.2 6.00 0.13 15.00 1.000 ! C6H5CH2 2 495.3 5.68 0.43 12.30 1.000 ! C6H5C2H 2 535.6 5.72 0.77 12.00 1.000 ! A2 2 630.4 6.18 0.00 16.50 1.000 ! c-C6H7 2 464.8 5.29 0.00 10.32 0.000 ! benze C5H4O 2 464.8 5.29 0.00 10.32 0.000 ! benze C5H5O 2 464.8 5.29 0.00 10.32 0.000 ! benze C5H4OH 2 464.8 5.29 0.00 10.32 0.000 ! benze C6H5O 2 464.8 5.29 0.00 10.32 0.000 ! benze C6H5OH 2 464.8 5.29 0.00 10.32 0.000 ! benze aC3H5 2 266.800 4.982 0.000 0.000 1.000 CH3CCH2 2 266.800 4.982 0.000 0.000 1.000 CH3CHCH 2 266.800 4.982 0.000 0.000 1.000 C3H6 2 266.800 4.982 0.000 0.000 1.000 C3H7 2 266.800 4.982 0.000 0.000 1.000 !C4H6 2 357.000 5.180 0.000 0.000 1.000 iC3H7 2 266.800 4.982 0.000 0.000 1.000 nC3H7 2 266.800 4.982 0.000 0.000 1.000 C3H8 2 266.800 4.982 0.000 0.000 1.000 C4H 1 357.000 5.180 0.000 0.000 1.000 !C4H2 1 357.000 5.180 0.000 0.000 1.000 C4H2OH 2 224.700 4.162 0.000 0.000 1.000 ! * !iC4H5 2 357.000 5.176 0.000 0.000 1.000 !C4H6 2 357.000 5.176 0.000 0.000 1.000 C4H7 2 357.000 5.176 0.000 0.000 1.000 iC4H7 2 357.000 5.176 0.000 0.000 1.000 iC4H7-1 2 357.000 5.176 0.000 0.000 1.000 C4H81 2 357.000 5.176 0.000 0.000 1.000 C4H82 2 357.000 5.176 0.000 0.000 1.000 iC4H8 2 357.000 5.176 0.000 0.000 1.000 tC4H9 2 357.000 5.176 0.000 0.000 1.000 iC4H9 2 357.000 5.176 0.000 0.000 1.000 pC4H9 2 162.002 5.410 0.000 0.000 1.000 sC4H9 2 162.002 5.410 0.000 0.000 1.000 C4H10 2 162.002 5.410 0.000 0.000 1.000 ! n-butane;sigma and epsilon derived from C4H10-N2 iC4H10 2 357.000 5.176 0.000 0.000 1.000 CH3COCH3 2 357.000 5.176 0.000 0.000 1.000 C2H3CHO 2 357.000 5.176 0.000 0.000 1.000 iC4H7O 2 450.000 5.500 0.000 0.000 1.000 ! JAM CH3CHO 2 436.000 3.970 0.000 0.000 2.000 CH3CO 2 436.000 3.970 0.000 0.000 2.000 C5H5O(2,4) 2 494 5.2 1.6 0.0 1.0 C5H5O(1,2) 2 494 5.2 1.6 0.0 1.0 C5H5O(1,3) 2 494 5.2 1.6 0.0 1.0 C4H5 2 329 5.1 0.0 0.0 1.0 c-C4H5 2 329 5.1 0.0 0.0 1.0 C6H5CO 2 593 5.5 2.8 0.0 1.0 C6H5CHO 2 593 5.47 2.8 0.0 1.0 C6H5C2H5 2 485 5.425 0.4 0.0 1.0 C6H4O2 2 485 5.425 0.4 0.0 1.0 HOC6H4CH3 2 567 5.60 1.6 0.0 1.0 C6H5CH2OH 2 572 5.82 1.7 0.0 1.0 bi-C6H5CH2 2 620 7.24 0.0 0.0 1.0 C5H5OH 2 464.800 5.290 0.000 10.320 0.000 ! as C5H4OH, ZD99 !C5H4OH 2 464.800 5.290 0.000 10.320 0.000 ! benze o-C6H4 2 464.8 5.29 0.00 10.32 0.000 ! benze C6H5C6H5 2 676.5 6.31 0.00 20.00 1.000 ! biphe OC6H4CH3 2 567 5.6 1.6 0.0 1.000 C10H8 2 630.4 6.18 0.00 16.50 1.000 ! naphthalene C6H4CH3 2 495.3 5.68 0.43 12.30 1.000 ! POSF10264 2 177.645 9.605 0.000 0.000 1.000 ! C11H22; sigma and epsilon derived from NC11H24-N2 POSF10325 2 177.645 9.605 0.000 0.000 1.000 ! C11H22; sigma and epsilon derived from NC11H24-N2 POSF10289 2 178.548 10.115 0.000 0.000 1.000 ! C12H23; sigma and epsilon derived from NC12H26-N2 POSF11498 2 179.321 10.607 0.000 0.000 1.000 ! C13H28; sigma and epsilon derived from NC13H28-N2 POSF12345 2 176.521 9.078 0.000 0.000 1.000 ! C10H19; sigma and epsilon derived from NC10H22-N2 POSF7688 2 178.548 10.115 0.000 0.000 1.000 ! C12H24; sigma and epsilon derived from NC12H26-N2 POSF5433 2 179.321 10.607 0.000 0.000 1.000 ! C13H27; sigma and epsilon derived from NC13H28-N2 C10H16 2 578.716 6.508 0.000 0.000 1.000 ! JP10; Y. Tao Estimated, Aug. 2016 SAC8H16 2 171.167 7.966 0.000 0.000 1.000 ! C8H16; sigma and epsilon derived from NC8H18-N2 SDC8H14 2 171.167 7.966 0.000 0.000 1.000 ! C8H14; sigma and epsilon derived from NC8H18-N2 A1C11H21 2 177.645 9.605 0.000 0.000 1.000 ! POSF10264 A1C11H21O2 2 177.645 9.605 0.000 0.000 1.000 ! POSF10264 A1C11H20OOH 2 177.645 9.605 0.000 0.000 1.000 ! POSF10264 A1C11H20 2 177.645 9.605 0.000 0.000 1.000 ! POSF10264 A1C11H21O4 2 177.645 9.605 0.000 0.000 1.000 ! POSF10264 A1C11H20O3 2 177.645 9.605 0.000 0.000 1.000 ! POSF10264 A2C11H21 2 177.645 9.605 0.000 0.000 1.000 ! POSF10325 A2C11H21O2 2 177.645 9.605 0.000 0.000 1.000 ! POSF10325 A2C11H20OOH 2 177.645 9.605 0.000 0.000 1.000 ! POSF10325 A2C11H20 2 177.645 9.605 0.000 0.000 1.000 ! POSF10325 A2C11H21O4 2 177.645 9.605 0.000 0.000 1.000 ! POSF10325 A2C11H20O3 2 177.645 9.605 0.000 0.000 1.000 ! POSF10325 A3C12H22 2 178.548 10.115 0.000 0.000 1.000 ! POSF10289 A3C12H22O2 2 178.548 10.115 0.000 0.000 1.000 ! POSF10289 A3C12H21OOH 2 178.548 10.115 0.000 0.000 1.000 ! POSF10289 A3C12H21 2 178.548 10.115 0.000 0.000 1.000 ! POSF10289 A3C12H22O4 2 178.548 10.115 0.000 0.000 1.000 ! POSF10289 A3C12H21O3 2 178.548 10.115 0.000 0.000 1.000 ! POSF10289 SAC8H15 2 171.167 7.966 0.000 0.000 1.000 ! SAC8H16 SAC8H15O2 2 171.167 7.966 0.000 0.000 1.000 ! SAC8H16 SAC8H14OOH 2 171.167 7.966 0.000 0.000 1.000 ! SAC8H16 SAC8H14 2 171.167 7.966 0.000 0.000 1.000 ! SAC8H16 SAC8H15O4 2 171.167 7.966 0.000 0.000 1.000 ! SAC8H16 SAC8H14O3 2 171.167 7.966 0.000 0.000 1.000 ! SAC8H16 SDC8H13 2 171.167 7.966 0.000 0.000 1.000 ! SDC8H14 SDC8H13O2 2 171.167 7.966 0.000 0.000 1.000 ! SDC8H14 SDC8H12OOH 2 171.167 7.966 0.000 0.000 1.000 ! SDC8H14 SDC8H12 2 171.167 7.966 0.000 0.000 1.000 ! SDC8H14 SDC8H13O4 2 171.167 7.966 0.000 0.000 1.000 ! SDC8H14 SDC8H12O3 2 171.167 7.966 0.000 0.000 1.000 ! SDC8H14 NC13H28 2 179.321 10.607 0.000 0.000 1.000 ! n-tridecane;sigma and epsilon derived from NC13H28-N2 NC12H26 2 178.548 10.115 0.000 0.000 1.000 ! n-dodecane;sigma and epsilon derived from NC12H26-N2 PXC12H25 2 178.548 10.115 0.000 0.000 1.000 ! SXC12H25 2 178.548 10.115 0.000 0.000 1.000 ! S2XC12H25 2 178.548 10.115 0.000 0.000 1.000 ! S3XC12H25 2 178.548 10.115 0.000 0.000 1.000 ! S4XC12H25 2 178.548 10.115 0.000 0.000 1.000 ! S5XC12H25 2 178.548 10.115 0.000 0.000 1.000 ! C12H24 2 178.548 10.115 0.000 0.000 1.000 ! 1-dodecene PXC12H23 2 178.548 10.115 0.000 0.000 1.000 ! NC11H24 2 177.645 9.605 0.000 0.000 1.000 ! n-undecane;sigma and epsilon derived from NC11H24-N2 PXC11H23 2 177.645 9.605 0.000 0.000 1.000 ! SXC11H23 2 177.645 9.605 0.000 0.000 1.000 ! S2XC11H23 2 177.645 9.605 0.000 0.000 1.000 ! S3XC11H23 2 177.645 9.605 0.000 0.000 1.000 ! S4XC11H23 2 177.645 9.605 0.000 0.000 1.000 ! S5XC11H23 2 177.645 9.605 0.000 0.000 1.000 ! C11H22 2 177.645 9.605 0.000 0.000 1.000 ! 1-undecene PXC11H21 2 177.645 9.605 0.000 0.000 1.000 ! NC10H22 2 176.521 9.078 0.000 0.000 1.000 ! n-decane;sigma and epsilon derived from NC10H22-N2 PXC10H21 2 176.521 9.078 0.000 0.000 1.000 ! SXC10H21 2 176.521 9.078 0.000 0.000 1.000 ! S2XC10H21 2 176.521 9.078 0.000 0.000 1.000 ! S3XC10H21 2 176.521 9.078 0.000 0.000 1.000 ! S4XC10H21 2 176.521 9.078 0.000 0.000 1.000 ! C10H20 2 176.521 9.078 0.000 0.000 1.000 ! 1-decene PXC10H19 2 176.521 9.078 0.000 0.000 1.000 ! NC9H20 2 173.947 8.533 0.000 0.000 1.000 ! n-nonane;sigma and epsilon derived from NC9H20-N2 PXC9H19 2 173.947 8.533 0.000 0.000 1.000 ! SXC9H19 2 173.947 8.533 0.000 0.000 1.000 ! S2XC9H19 2 173.947 8.533 0.000 0.000 1.000 ! S3XC9H19 2 173.947 8.533 0.000 0.000 1.000 ! S4XC9H19 2 173.947 8.533 0.000 0.000 1.000 ! C9H18 2 173.947 8.533 0.000 0.000 1.000 ! 1-nonene PXC9H17 2 173.947 8.533 0.000 0.000 1.000 ! NC8H18 2 171.167 7.966 0.000 0.000 1.000 ! n-octane;sigma and epsilon derived from NC8H18-N2 PXC8H17 2 171.167 7.966 0.000 0.000 1.000 ! SXC8H17 2 171.167 7.966 0.000 0.000 1.000 ! S2XC8H17 2 171.167 7.966 0.000 0.000 1.000 ! S3XC8H17 2 171.167 7.966 0.000 0.000 1.000 ! C8H16 2 171.167 7.966 0.000 0.000 1.000 ! 1-octene C8H14 2 171.167 7.966 0.000 0.000 1.000 ! PXC8H15 2 171.167 7.966 0.000 0.000 1.000 ! NC7H16 2 169.363 7.369 0.000 0.000 1.000 ! n-heptane;sigma and epsilon derived from NC7H16-N2 PXC7H15 2 169.363 7.369 0.000 0.000 1.000 ! SXC7H15 2 169.363 7.369 0.000 0.000 1.000 ! S2XC7H15 2 169.363 7.369 0.000 0.000 1.000 ! S3XC7H15 2 169.363 7.369 0.000 0.000 1.000 ! C7H14 2 169.363 7.369 0.000 0.000 1.000 ! 1-heptene PXC7H13 2 169.363 7.369 0.000 0.000 1.000 ! NC6H14 2 167.437 6.743 0.000 0.000 1.000 ! n-hexane;sigma and epsilon derived from NC6H14-N2 PXC6H13 2 167.437 6.743 0.000 0.000 1.000 ! SXC6H13 2 167.437 6.743 0.000 0.000 1.000 ! S2XC6H13 2 167.437 6.743 0.000 0.000 1.000 ! C6H12 2 167.437 6.743 0.000 0.000 1.000 ! 1-hexene PXC6H11 2 167.437 6.743 0.000 0.000 1.000 ! NC5H12 2 165.098 6.089 0.000 0.000 1.000 ! n-pentane;sigma and epsilon derived from NC5H12-N2 PXC5H11 2 165.098 6.089 0.000 0.000 1.000 ! SXC5H11 2 165.098 6.089 0.000 0.000 1.000 ! S2XC5H11 2 165.098 6.089 0.000 0.000 1.000 ! C5H10 2 165.098 6.089 0.000 0.000 1.000 ! 1-pentene C2C*CC 2 165.098 6.089 0.000 0.000 1.000 ! C*C2CC 2 165.098 6.089 0.000 0.000 1.000 ! PXC5H9 2 165.098 6.089 0.000 0.000 1.000 ! PC12H25O2 2 805.031 7.102 0.000 0.000 1.000 P12OOHX2 2 805.031 7.102 0.000 0.000 1.000 SOO12OOH 2 877.052 7.457 0.000 0.000 1.000 OC12OOH 2 839.348 7.273 0.000 0.000 1.000 C6H11 2 167.437 6.743 0.000 0.000 1.000 ! SXC6H11 2 167.437 6.743 0.000 0.000 1.000 ! S2XC6H11 2 167.437 6.743 0.000 0.000 1.000 ! SAXC6H11 2 167.437 6.743 0.000 0.000 1.000 ! cC6H11 2 464.8 5.29 0.00 0.000 1.000 ! benze cC6H10 2 464.8 5.29 0.00 0.000 1.000 ! benze cC5H9CH2 2 464.8 5.29 0.00 0.000 1.000 ! benze CH2C5H8 2 464.8 5.29 0.00 0.000 1.000 ! benze C6H10-13 2 504.629 5.628 0.000 0.000 1.000 ! SAXC6H11-3 2 504.629 5.628 0.000 0.000 1.000 ! m1C5H81 2 504.629 5.628 0.000 0.000 1.000 ! CH3cC5H83 2 464.8 5.29 0.00 0.000 1.000 ! benze cC5H9 2 357.000 5.180 0.000 0.000 1.000 ! C5H6 cC5H8 2 357.000 5.180 0.000 0.000 1.000 ! C5H6 SXC5H9 2 357.000 5.180 0.000 0.000 1.000 C5H8-13 2 357.000 5.180 0.000 0.000 1.000 C5H8-14 2 357.000 5.180 0.000 0.000 1.000 CH2C4H7 2 357.000 5.180 0.000 0.000 1.000 SAXC5H9 2 357.000 5.180 0.000 0.000 1.000 C2H5OH 2 470.600 4.410 0.000 0.000 1.500 ! C2H5O 2 470.600 4.410 0.000 0.000 1.500 ! PC2H4OH 2 470.600 4.410 0.000 0.000 1.500 ! SC2H4OH 2 470.600 4.410 0.000 0.000 1.500 ! O2C2H4OH 2 523.200 5.664 1.700 0.000 1.000 ! ! ! !**************************************************************************** ! ! The following transport data are for NOx submodel species. ! ! Data were directly adopted from Glarborg et al. ! without modifications. ! ! P. Glarborg, J.A. Miller, B. Ruscic, S.J. Klippenstein, Modeling nitrogen ! chemistry in combustion, Progress in Energy and Combustion Science, ! 67 (2018) 31-68. ! !**************************************************************************** ! NCNOH 2 232.400 3.828 0.000 0.000 1.000 ! est as NCNO CNOH 2 232.400 3.828 0.000 0.000 1.000 ! JAM HON 2 116.700 3.492 0.000 0.000 1.000 ! = HNO HNO2 2 350.000 3.950 1.639 0.000 1.000 ! = HONO HONO2 2 400.000 4.200 0.200 0.000 1.000 ! = NO3 H2NN 2 71.400 3.798 0.000 0.000 1.000 ! = N2H2 NH2OH 2 116.700 3.492 0.000 0.000 1.000 ! = NHOH HNC 1 569.000 3.630 0.000 0.000 1.000 ! = HCN HCNH 1 569.000 3.630 0.000 0.000 1.000 ! = H2CN CH3NO 2 436.000 3.970 0.000 0.000 2.000 ! = CH3CO CH3NH2 2 481.800 3.626 0.000 0.000 1.000 ! = CH3OH CH3NH 2 481.800 3.626 0.000 0.000 1.000 ! = CH3OH CH2NH2 2 481.800 3.626 0.000 0.000 1.000 ! = CH3OH CH2NH 2 417.000 3.690 1.700 0.000 2.000 ! = CH2OH ! HONO 2 350.000 3.950 1.639 0.000 1.000 ! CJP NO 1 139.320 3.339 0.200 1.760 4.000 ! CJP HNO 2 170.000 3.430 1.620 0.000 1.000 ! CJP NO2 2 333.590 3.852 0.400 0.000 1.000 ! CJP NO3 2 400.000 4.200 0.200 0.000 1.000 ! CJP N2O 1 232.400 3.828 0.000 0.000 1.000 ! * H2NO 2 116.700 3.492 0.000 0.000 1.000 ! JAM HNOH 2 116.700 3.492 0.000 0.000 1.000 ! JAM ! CH2CN 2 422.220 5.329 3.500 0.000 1.000 ! CJP CH3CN 2 422.220 5.329 3.500 0.000 1.000 ! CJP HONO 2 350.000 3.950 1.639 0.000 1.000 ! CJP NO3 2 400.000 4.200 0.200 0.000 1.000 ! CJP NCN 1 422.220 5.329 2.000 0.000 1.000 ! CJP HNCN 1 422.220 5.329 2.000 0.000 1.000 ! NCN HNCNH 1 422.220 5.329 2.000 0.000 1.000 ! NCN NO 1 139.320 3.339 0.200 1.760 4.000 ! CJP HNO 2 170.000 3.430 1.620 0.000 1.000 ! CJP NO2 2 333.590 3.852 0.400 0.000 1.000 ! CJP ! CN2 1 232.400 3.828 0.000 0.000 1.000 ! OIS C2N 1 232.400 3.828 0.000 0.000 1.000 ! OIS C2N2 1 349.000 4.361 0.000 0.000 1.000 ! OIS CN 1 75.000 3.856 0.000 0.000 1.000 ! OIS CNC 1 232.400 3.828 0.000 0.000 1.000 ! OIS CNN 1 232.400 3.828 0.000 0.000 1.000 ! OIS H2CN 1 569.000 3.630 0.000 0.000 1.000 ! os/jm H2NO 2 116.700 3.492 0.000 0.000 1.000 ! JAM HC2N2 1 349.000 4.361 0.000 0.000 1.000 ! OIS HCNN 2 150.000 2.500 0.000 0.000 1.000 ! * HCN 1 569.000 3.630 0.000 0.000 1.000 ! OIS HCNO 2 232.400 3.828 0.000 0.000 1.000 ! JAM HOCN 2 232.400 3.828 0.000 0.000 1.000 ! JAM HNCO 2 232.400 3.828 0.000 0.000 1.000 ! OIS HNNO 2 232.400 3.828 0.000 0.000 1.000 ! * HNO 2 116.700 3.492 0.000 0.000 1.000 ! * HNOH 2 116.700 3.492 0.000 0.000 1.000 ! JAM N 0 71.400 3.298 0.000 0.000 0.000 ! * N2H2 2 71.400 3.798 0.000 0.000 1.000 ! * N2H3 2 200.000 3.900 0.000 0.000 1.000 ! * N2H4 2 205.000 4.230 0.000 4.260 1.500 N2O 1 232.400 3.828 0.000 0.000 1.000 ! * NCO 1 232.400 3.828 0.000 0.000 1.000 ! OIS NH 1 80.000 2.650 0.000 0.000 4.000 NH2 2 80.000 2.650 0.000 2.260 4.000 NH3 2 481.000 2.920 1.470 0.000 10.000 NNH 2 71.400 3.798 0.000 0.000 1.000 ! * NCNO 2 232.400 3.828 0.000 0.000 1.000 ! OIS CN2 1 232.400 3.828 0.000 0.000 1.000 ! OIS C2N 1 232.400 3.828 0.000 0.000 1.000 ! OIS NCCN 1 349.000 4.361 0.000 0.000 1.000 !(OIS) CN 1 75.000 3.856 0.000 0.000 1.000 !(OIS) CNC 1 232.400 3.828 0.000 0.000 1.000 ! OIS CNN 1 232.400 3.828 0.000 0.000 1.000 ! OIS H2CN 1 569.000 3.630 0.000 0.000 1.000 ! os/jm H2NO 2 116.700 3.492 0.000 0.000 1.000 ! JAM HC2N2 1 349.000 4.361 0.000 0.000 1.000 ! OIS HCN 1 569.000 3.630 0.000 0.000 1.000 !(OIS) HCNO 2 232.400 3.828 0.000 0.000 1.000 ! JAM HOCN 2 232.400 3.828 0.000 0.000 1.000 !(JAM) HNCO 2 232.400 3.828 0.000 0.000 1.000 !(OIS) HNNO 2 232.400 3.828 0.000 0.000 1.000 !(*) HNO 2 116.700 3.492 0.000 0.000 1.000 !(*) HNOH 2 116.700 3.492 0.000 0.000 1.000 ! JAM ! N 0 71.400 3.298 0.000 0.000 0.000 !(*) N2H2 2 71.400 3.798 0.000 0.000 1.000 !(*) N2H3 2 200.000 3.900 0.000 0.000 1.000 !(*) N2H4 2 205.000 4.230 0.000 4.260 1.500 N2O 1 232.400 3.828 0.000 0.000 1.000 !(*) NCN 1 232.400 3.828 0.000 0.000 1.000 ! OIS NCO 1 232.400 3.828 0.000 0.000 1.000 !(OIS) NH 1 80.000 2.650 0.000 0.000 4.000 NH2 2 80.000 2.650 0.000 2.260 4.000 NH3 2 481.000 2.920 1.470 0.000 10.000 NNH 2 71.400 3.798 0.000 0.000 1.000 !(*) NCNO 2 232.400 3.828 0.000 0.000 1.000 ! OIS ! CH3NO 2 436.000 3.970 0.000 0.000 2.000 ! = CH3CO CH2NO 2 232.400 3.828 0.000 0.000 1.000 !=HCNO C2H5NO 1 252.000 4.760 0.000 0.000 1.000 !CH3CH2CHO CH3CHNO 1 252.000 4.760 0.000 0.000 1.000 !CH3CH2CHO C2H3NO 2 357.000 5.176 0.000 0.000 1.000 !C2H3CHO CHCHNO 1 357.000 5.180 0.000 0.000 1.000 !CH2CHCO CH3CNO 2 357.000 5.176 0.000 0.000 1.000 !C2H3CHO CH2CHNO 2 357.000 5.176 0.000 0.000 1.000 !C2H3CHO ! CH3NO2 2 232.400 3.828 0.000 0.000 1.000 !refered to NCNO CH3ONO 2 232.400 3.828 0.000 0.000 1.000 !refered to NCNO CH2NO2 2 232.400 3.828 0.000 0.000 1.000 !refered to NCNO C2H5NO2 2 503.0722 5.340 1.67 8.88 1.000 ! refered to C4H9OH CH2CH2NO2 2 503.0722 5.340 1.67 8.88 1.000 ! refered to C4H9OH CH3CHNO2 2 503.0722 5.340 1.67 8.88 1.000 ! refered to C4H9OH CH3ONO 2 232.400 3.828 0.000 0.000 1.000 !refered to NCNO CH3ONO2 2 459.5 5.036 1.7 0.0 1.0 !wjp CH3CH2ONO 2 503.0722 5.340 1.67 8.88 1.000 ! refered to C4H9OH CH2CH2NO2 2 503.0722 5.340 1.67 8.88 1.000 ! refered to C4H9OH CH3CHNO2 2 503.0722 5.340 1.67 8.88 1.000 ! refered to C4H9OH CH3CH2ONO2 2 496.000 5.200 0.000 0.000 1.000 ! wjp sc4h9o2h CH3NH2 2 481.800 3.626 0.000 0.000 1.000 ! = CH3OH CH3NH 2 481.800 3.626 0.000 0.000 1.000 ! = CH3OH CH2NH2 2 481.800 3.626 0.000 0.000 1.000 ! = CH3OH CH2NH 2 417.000 3.690 1.700 0.000 2.000 ! = CH2OH H2CN 1 569.000 3.630 0.000 0.000 1.000 ! os/jm ! HNC 1 569.000 3.630 0.000 0.000 1.000 ! = HCN HCNH 1 569.000 3.630 0.000 0.000 1.000 ! = H2CN CH3NO 2 436.000 3.970 0.000 0.000 2.000 ! = CH3CO CH3NH2 2 481.800 3.626 0.000 0.000 1.000 ! = CH3OH CH3NH 2 481.800 3.626 0.000 0.000 1.000 ! = CH3OH CH2NH2 2 481.800 3.626 0.000 0.000 1.000 ! = CH3OH CH2NH 2 417.000 3.690 1.700 0.000 2.000 ! = CH2OH CH3CH2NH2 2 436.000 3.970 0.000 0.000 2.000 ! = CH3CHO CH3NHCH3 2 436.000 3.970 0.000 0.000 2.000 ! = CH3CHO CH2CH2NH2 2 436.000 3.970 0.000 0.000 2.000 ! = CH3CHO CH3NCH3 2 436.000 3.970 0.000 0.000 2.000 ! = CH3CHO CH3NHCH2 2 436.000 3.970 0.000 0.000 2.000 ! = CH3CHO CH3CHNH2 2 436.000 3.970 0.000 0.000 2.000 ! = CH3CHO CH3CH2NH 2 436.000 3.970 0.000 0.000 2.000 ! = CH3CHO CH2CHNH2 2 303.400 4.810 0.000 0.000 1.000 ! = c3h7 CH3CHNH 2 303.400 4.810 0.000 0.000 1.000 ! = c3h7 CH3NCH2 2 303.400 4.810 0.000 0.000 1.000 ! = c3h7 CH2CHNH 2 307.800 4.140 0.000 0.000 1.000 ! = c3h6 CHCHNH2 2 307.800 4.140 0.000 0.000 1.000 ! = c3h6 CH2NCH2 2 307.800 4.140 0.000 0.000 1.000 ! = c3h6 CH3CHN 2 307.800 4.140 0.000 0.000 1.000 ! = c3h6 CH3NCH 2 307.800 4.140 0.000 0.000 1.000 ! = c3h6 CH3CNH 2 307.800 4.140 0.000 0.000 1.000 ! = c3h6 CH2CNH2 2 307.800 4.140 0.000 0.000 1.000 ! = c3h6 CH2CNH 2 260.000 4.850 0.000 0.000 1.000 ! = c3h5 CH2CHN 2 260.000 4.850 0.000 0.000 1.000 ! = c3h5 CH2CHN(S) 2 260.000 4.850 0.000 0.000 1.000 ! = c3h5 c-C2H3N 2 260.000 4.850 0.000 0.000 1.000 ! = c3h5 CHCNH2 2 260.000 4.850 0.000 0.000 1.000 ! = c3h5 CHCNH 1 252.000 4.760 0.000 0.000 1.000 ! = c3h4 H2NCHO 2 307.800 4.140 0.000 0.000 1.000 ! = c3h6 H2NCO 2 307.800 4.140 0.000 0.000 1.000 ! = c3h6 CH3NC 2 422.220 5.329 3.500 0.000 1.000 ! = ch3cn ! CH3CN 2 422.220 5.329 3.500 0.000 1.000 ! CJP CH2CN 2 422.220 5.329 3.500 0.000 1.000 ! CJP ! 1-15: Species name ! 16-80: Molecular parameters ! molecule index: 0 = atom, 1= linear molec. ! 2 = nonlinear molec. ! L-J potential well depth, e/kb (K) ! L-J collision diameter, s, ! Dipole moment, f, Debye ! Polarizability, `, ! Rotational relaxation number, Zrot at 298K ! Comments ! ! Delete the block below if you do not use the revised tranfit program (see http://ae-www.usc.edu/research/combustion/CombustionKinetics/Mechanisms/USC-Mech%20II/USC_Mech%20II.htm) ! END H HE -9.66994265100 2.10026266000 -0.07705964500 0.00546112600 ! Middha et al, Proc. Comb. Inst., Vol. 29 0.93003284006 0.08015000695 -0.00947327267 0.00063458775 0.87637862374 0.10238278295 -0.01480299828 0.00098803605 1.06001553391 -0.05992751365 0.01026504945 -0.00073450868 H H2 -11.74984983000 3.15068443400 -0.25747189600 0.01589155500 ! Middha et al, Proc. Comb. Inst., Vol. 29 0.68564849197 0.15339038119 -0.01367350360 0.00032210353 0.67794933764 0.13747070299 -0.01105868963 0.00016576525 0.65119387990 0.08215979427 -0.00438944167 -0.00027358319 H2 HE -12.75127347000 3.42444798700 -0.28472577300 0.01593170100 ! Middha et al, Proc. Comb. Inst., Vol. 29 0.59534394712 0.20780905298 -0.02484767627 0.00100127755 0.67714740207 0.13579177260 -0.01142533631 0.00018885880 0.65191818266 0.08365135783 -0.00445010155 -0.00025986744 H AR -9.05107284400 1.61614185700 -0.00287779500 0.00130541500 ! AIChE 2002 0.68819287418 0.15342306998 -0.01769949486 0.00088795976 0.69683113086 0.17157988788 -0.02435683182 0.00136547873 0.67026727852 0.11433417790 -0.01504070012 0.00051875848 N H2 -11.06296595000 2.35003553100 -0.10371499000 0.00580309100 ! Stallcop et al, Phys. Rev. A, 64, Art. 042722 1.31576376016 -0.13458345098 0.02492533153 -0.00119098283 6.99070003974 -2.59649971924 0.37720200602 -0.01788555212 1.28549476326 -0.20526851249 0.03796449261 -0.00230740895 N N2 -14.50976666000 3.27038987700 -0.22411274000 0.01070436600 ! Stallcop et al, Phys. Rev. A, 64, Art. 042722 1.28549476326 -0.20526851249 0.03796449261 -0.00230740895 1.31470940230 -0.12581573177 0.02093874922 -0.00091239288 1.18530004024 -0.00109904512 -0.00679031552 0.00082436382 H O2 -11.04103178000 2.40427694900 -0.10279690200 0.00532644300 ! Stallcop et al, Phys. Rev. A, 64, Art. 042722 1.29254489763 -0.18498887975 0.04271031056 -0.00260823132 1.99269990199 -0.27220069165 0.02059506743 0.00016444098 1.27566027457 -0.22786150854 0.04449949355 -0.00274619496 O O2 -14.60250025000 3.29049804400 -0.22351565500 0.01068641100 ! Stallcop et al, Phys. Rev. A, 64, Art. 042722 1.29827044958 -0.17304622424 0.03635310801 -0.00206726443 9.96160341198 -3.95288550918 0.58275322682 -0.02828930035 1.26594984746 -0.24767207966 0.04946972829 -0.00300929402 H N2 -13.27028844000 3.51865269300 -0.29664901800 0.01643138100 ! Stallcop et al, J. Chem. Phys., 97, 3431 (1992) 1.33864596568 -0.08545398502 0.00922905086 0.00004406488 -2.20299987672 1.59160087079 -0.25339378410 0.01364477086 1.27615648812 -0.22593374251 0.04641828877 -0.00310151225 H2 N2 -10.99943193000 2.20257995900 -0.08115516500 0.00440608700 ! Stallcop et al, Phys. Rev. A, 62, Art. 062709 1.31648435027 -0.13202102692 0.02416204045 -0.00120258929 1.94229781522 -0.41910587564 0.06711915359 -0.00336850295 1.29072759648 -0.19301215992 0.03398993578 -0.00196835629 N2 N2 -16.51750614000 4.05271572500 -0.34593622800 0.01671006600 ! Stallcop et al, Phys. Rev. A, 62, Art. 062709 1.35301607939 -0.05405097875 -0.00113356164 0.00059799157 3.61489786826 -1.08630677454 0.15481851859 -0.00723438967 1.25620046061 -0.26881554497 0.05577645068 -0.00340833729 H2 H2 -9.96095484000 2.05602189500 -0.06497689600 0.00413678100 ! Stallcop et al, J. Thermophys. Heat Tra., 12, 514 (1998) 1.32208755845 -0.12074925804 0.02204710917 -0.00105955055 3.63140155962 -1.13979323643 0.16942078618 -0.00812678015 1.29811062932 -0.17814060954 0.02956707397 -0.00170200851 HE N2 -10.54773424863 1.94407437345 -0.03608932142 0.00152709839 ! Y. Tao 9/2/2017 0.52679932266 0.24909126787 -0.03438465166 0.00159279296 ! PES from Beneventi et al, (1986). J Chem. Phys., 85(12), 7011-7029. 1.03704309679 0.04190920885 -0.00802259902 0.00046703164 0.78519920209 0.05313848732 -0.00573013557 0.00020165418 NC13H28 AR -15.77171157090 2.65846483835 -0.10540878439 0.00343016123 1.31650397614 -0.11343569438 0.01354362420 -0.00058218692 2.08116011364 -0.11369839109 -0.02165852563 0.00246832139 0.66940002606 0.03771841015 0.00232569421 -0.00031422687 NC13H28 N2 -15.57486895316 2.64437966185 -0.10580112867 0.00352748506 1.33992370196 -0.12616945568 0.01569384582 -0.00069838572 2.28081885478 -0.21004622609 -0.00718472590 0.00177473413 0.68112039084 0.03394173585 0.00287002410 -0.00034438025 NC13H28 O2 -15.62796312968 2.63976299761 -0.10376850325 0.00339755566 1.31245451125 -0.11134154923 0.01320195086 -0.00056416146 2.05500704954 -0.10106156397 -0.02355190127 0.00255863666 0.66767300842 0.03828362376 0.00224443298 -0.00030978412 NC13H28 CO -15.57485248539 2.64439224166 -0.10580303536 0.00352758034 1.33992370196 -0.12616945568 0.01569384582 -0.00069838572 2.28081885478 -0.21004622609 -0.00718472590 0.00177473413 0.68112039084 0.03394173585 0.00287002410 -0.00034438025 NC13H28 CO2 -16.05034695198 2.62459662035 -0.09287755461 0.00265448937 1.13323383732 -0.02365926044 -0.00041987062 0.00012792352 1.31742208376 0.26199985805 -0.07722094246 0.00504188271 0.61652362579 0.05254229288 0.00022918285 -0.00019336780 NC13H28 H2 -13.86894778985 2.64423297213 -0.11859142089 0.00447850715 1.12031132568 -0.03818934864 0.00339836810 -0.00011901807 3.11104061015 -0.69036123077 0.07235844055 -0.00226695615 0.64003713136 0.06908330440 -0.00286429889 -0.00008057616 NC13H28 HE -13.97251221042 2.77654650907 -0.16373968607 0.00791356238 0.98375573413 0.02084602285 -0.00555804674 0.00034079199 3.17291852890 -0.80774210636 0.09887889325 -0.00383822370 0.60697542087 0.09850990039 -0.00810456361 0.00018669087 NC13H28 H2O -16.03026295960 2.72695626259 -0.09886200414 0.00269852222 0.97847765728 0.04825340956 -0.01107673269 0.00063889257 2.09492511270 -0.07607949722 -0.02493197544 0.00227352042 0.77721230818 -0.02539983352 0.01185600043 -0.00075459930 NC12H26 AR -15.75873322731 2.68777926099 -0.10969623213 0.00363806269 1.33934733658 -0.12362910733 0.01506741509 -0.00065660832 2.04522498126 -0.09756955119 -0.02408911419 0.00259111251 0.66040424700 0.04156633689 0.00178400864 -0.00028914032 NC12H26 N2 -15.55623102376 2.67074428677 -0.10978162710 0.00372584193 1.36433374009 -0.13721183072 0.01736659862 -0.00078122357 2.25767879507 -0.19953524755 -0.00879942749 0.00185835475 0.67403876056 0.03698116259 0.00244279623 -0.00032472685 NC12H26 O2 -15.61029933500 2.66694535294 -0.10784254293 0.00359902205 1.33500998053 -0.12138775164 0.01470107237 -0.00063723542 2.01744349968 -0.08422334525 -0.02608480644 0.00268631044 0.65840234633 0.04224776200 0.00168630990 -0.00028391920 NC12H26 CO -15.55622277068 2.67076001483 -0.10978400028 0.00372596015 1.36433374009 -0.13721183072 0.01736659862 -0.00078122357 2.25767879507 -0.19953524755 -0.00879942749 0.00185835475 0.67403876056 0.03698116259 0.00244279623 -0.00032472685 NC12H26 CO2 -16.04427976455 2.65583489721 -0.09726381506 0.00285810394 1.14267420562 -0.02735780607 0.00006653567 0.00010806243 1.24498198422 0.29330657674 -0.08174750507 0.00526058463 0.59780581293 0.06042345259 -0.00086982690 -0.00014257185 NC12H26 H2 -13.84508031673 2.66512419541 -0.12189646759 0.00465295701 1.12206324349 -0.03944801250 0.00368375112 -0.00013722304 3.12945420286 -0.69876920265 0.07360818391 -0.00232709838 0.63784072308 0.07008513572 -0.00301091942 -0.00007378391 NC12H26 HE -13.96987338103 2.81483324122 -0.17092516112 0.00835658041 0.97198376102 0.02599295051 -0.00626535929 0.00037305366 3.19703242153 -0.81943692222 0.10073890445 -0.00393478966 0.60542926980 0.09927735792 -0.00822615819 0.00019271963 NC12H26 H2O -16.05657829305 2.76654120023 -0.10400056340 0.00292052154 0.97586144334 0.05007957999 -0.01142350484 0.00066010321 2.10792556792 -0.08409530608 -0.02346541061 0.00218961984 0.76940878182 -0.02280948491 0.01158950971 -0.00074662524 NC11H24 AR -15.75087921300 2.72225082660 -0.11473795695 0.00388253985 1.36643830045 -0.13571763275 0.01687447363 -0.00074486243 2.00258275760 -0.07843044906 -0.02697333079 0.00273681990 0.64972853583 0.04613288392 0.00114115504 -0.00025936818 NC11H24 N2 -15.54124336572 2.70157874028 -0.11443697580 0.00395782825 1.39327587613 -0.15030405811 0.01934984064 -0.00087943549 2.23022678355 -0.18706577775 -0.01071497110 0.00195755394 0.66563740238 0.04058705285 0.00193593852 -0.00030140994 NC11H24 O2 -15.59663435941 2.69880564694 -0.11261772889 0.00383516225 1.36176050329 -0.13330214557 0.01647894369 -0.00072389502 1.97286731860 -0.06424172829 -0.02909054900 0.00283781756 0.64740095964 0.04695196614 0.00102398944 -0.00025322544 NC11H24 CO -15.54124016340 2.70159617076 -0.11443960660 0.00395795935 1.39327587613 -0.15030405811 0.01934984064 -0.00087943549 2.23022678355 -0.18706577775 -0.01071497110 0.00195755394 0.66563740238 0.04058705285 0.00193593852 -0.00030140994 NC11H24 CO2 -16.04457177596 2.69256114480 -0.10242060150 0.00309748396 1.15383457888 -0.03172841890 0.00064109768 0.00008461904 1.15909181368 0.33042560106 -0.08711440161 0.00551988550 0.57560713401 0.06977019444 -0.00217320210 -0.00008233053 NC11H24 H2 -13.82295547937 2.68918641147 -0.12570316119 0.00485388411 1.12413823644 -0.04093970246 0.00402210747 -0.00015880964 3.15131233722 -0.70874979546 0.07509163019 -0.00239848382 0.63523419995 0.07127398380 -0.00318489828 -0.00006572524 NC11H24 HE -13.97452867152 2.86005833161 -0.17938339779 0.00887664317 0.95799514383 0.03210968790 -0.00710609321 0.00041141023 3.22567980048 -0.83333000039 0.10294847358 -0.00404949979 0.60359513946 0.10018774073 -0.00837038531 0.00019986914 NC11H24 H2O -16.09329892443 2.81250459328 -0.10996359302 0.00317797225 0.97269374131 0.05227425033 -0.01183900874 0.00068546694 2.12345748298 -0.09365549959 -0.02171780021 0.00208969312 0.76017710806 -0.01974898285 0.01127534069 -0.00073726797 NC10H22 AR -15.75032169345 2.76333646679 -0.12074702509 0.00417392351 1.39908336201 -0.15028407731 0.01905190392 -0.00085120212 1.95116112292 -0.05535100687 -0.03045132918 0.00291252362 0.63685445868 0.05163980278 0.00036591782 -0.00022346485 NC10H22 N2 -15.53153739388 2.73810189320 -0.11995121168 0.00423261561 1.42814138009 -0.16607528716 0.02173885711 -0.00099773892 2.19713279376 -0.17203376802 -0.01302413492 0.00207713555 0.65550965524 0.04493395466 0.00132491454 -0.00027330068 NC10H22 O2 -15.58875465758 2.73664281007 -0.11828873131 0.00411560270 1.39399550596 -0.14765882857 0.01862121216 -0.00082831363 1.91911328702 -0.04014619756 -0.03271511089 0.00302051603 0.63413292507 0.05262542929 0.00022519736 -0.00021620684 NC10H22 CO -15.53153516075 2.73811905369 -0.11995380047 0.00423274453 1.42814138009 -0.16607528716 0.02173885711 -0.00099773892 2.19713279376 -0.17203376802 -0.01302413492 0.00207713555 0.65550965524 0.04493395466 0.00132491454 -0.00027330068 NC10H22 CO2 -16.05373572107 2.73631859201 -0.10856457280 0.00338268528 1.16723171361 -0.03697240329 0.00133014304 0.00005652942 1.05562034470 0.37514208382 -0.09357971412 0.00583225356 0.54885728895 0.08103312146 -0.00374377076 -0.00000974032 NC10H22 H2 -13.80344696834 2.71720129968 -0.13013514689 0.00508781359 1.12663326962 -0.04273506773 0.00442959635 -0.00018481163 3.17768109961 -0.72078966870 0.07688108503 -0.00248458989 0.63209155753 0.07270728331 -0.00339463040 -0.00005601216 NC10H22 HE -13.98938480299 2.91425257842 -0.18947975917 0.00949551144 0.94109732228 0.03949947996 -0.00812202477 0.00045777364 3.26027085052 -0.85010504826 0.10561630491 -0.00418799547 0.60138439835 0.10128503736 -0.00854420729 0.00020848371 NC10H22 H2O -16.14367824670 2.86650054640 -0.11696379554 0.00347996742 0.96878117917 0.05496133234 -0.01234593867 0.00071633757 2.14233876060 -0.10525361710 -0.01959983637 0.00196866514 0.74908598957 -0.01607769549 0.01089947273 -0.00072613616 NC9H20 AR -15.76026646732 2.81310819788 -0.12802650897 0.00452691097 1.43918603606 -0.16817750886 0.02172659818 -0.00098182252 1.88793903210 -0.02697538865 -0.03472741715 0.00312854446 0.62102432841 0.05841123398 -0.00058734035 -0.00017931637 NC9H20 N2 -15.52951337073 2.78202858524 -0.12658324844 0.00456310672 1.47095537639 -0.18544124786 0.02467233096 -0.00114299950 2.15645987317 -0.15355954735 -0.01586203047 0.00222409542 0.64306250574 0.05027642185 0.00057393797 -0.00023875250 NC9H20 O2 -15.58928169045 2.78228689612 -0.12512986807 0.00445391032 1.43359527334 -0.16529495723 0.02125276988 -0.00095657692 1.85302047287 -0.01051991951 -0.03717160845 0.00324514761 0.61781732521 0.05960210580 -0.00075709052 -0.00017068386 NC9H20 CO -15.52951535665 2.78204684559 -0.12658600306 0.00456324390 1.47095537639 -0.18544124786 0.02467233096 -0.00114299950 2.15645987317 -0.15355954735 -0.01586203047 0.00222409542 0.64306250574 0.05027642185 0.00057393797 -0.00023875250 NC9H20 CO2 -16.07546129075 2.78930185724 -0.11600383903 0.00372800835 1.18361299909 -0.04338059864 0.00217166892 0.00002226105 0.92855569240 0.43005368570 -0.10151897247 0.00621583041 0.51599615684 0.09486909502 -0.00567312579 0.00007943190 NC9H20 H2 -13.78781323178 2.75022814828 -0.13536000759 0.00536359060 1.12969174228 -0.04493801417 0.00492991415 -0.00021674278 3.21011685022 -0.73559924675 0.07908209047 -0.00259049174 0.62822748763 0.07446949424 -0.00365246229 -0.00004407378 NC9H20 HE -14.01876634188 2.98031986509 -0.20173390888 0.01024399582 0.92027924126 0.04860511487 -0.00937416652 0.00051493722 3.30286956720 -0.87076261900 0.10890145723 -0.00435853024 0.59866760978 0.10263346476 -0.00875778334 0.00021906542 NC9H20 H2O -16.21232702681 2.93082446761 -0.12529598850 0.00383909386 0.96383287332 0.05832539483 -0.01297794624 0.00075471619 2.16578127365 -0.11961825117 -0.01697992882 0.00181906678 0.73551111899 -0.01159278654 0.01044181434 -0.00071267746 NC8H18 AR -15.78552879972 2.87444867428 -0.13699798618 0.00496194326 1.48962986370 -0.19068404207 0.02509075671 -0.00114610657 1.80832720971 0.00875604517 -0.04011195357 0.00340056028 0.60108767646 0.06693933777 -0.00178791098 -0.00012371324 NC8H18 N2 -15.53878519236 2.83573767212 -0.13469226270 0.00496720109 1.52478651471 -0.20978943301 0.02836038090 -0.00132561881 2.10526603250 -0.13030704862 -0.01943385763 0.00240905774 0.62739569981 0.05700091719 -0.00037132624 -0.00019526513 NC8H18 O2 -15.60218567629 2.83828870017 -0.13352346387 0.00486899261 1.48340752346 -0.18747829356 0.02456273767 -0.00111789937 1.76979020971 0.02678798439 -0.04278356600 0.00352801880 0.59726946147 0.06838858239 -0.00199419974 -0.00011335098 NC8H18 CO -15.53879314167 2.83575766851 -0.13469527801 0.00496735122 1.52478651471 -0.20978943301 0.02836038090 -0.00132561881 2.10526603250 -0.13030704862 -0.01943385763 0.00240905774 0.62739569981 0.05700091719 -0.00037132624 -0.00019526513 NC8H18 CO2 -16.11521327556 2.85454569212 -0.12516441423 0.00415322344 1.20409897106 -0.05138840084 0.00322247457 -0.00002047054 0.76878967856 0.49909581980 -0.11150108501 0.00669809914 0.47465915226 0.11227364343 -0.00810007798 0.00019160124 NC8H18 H2 -13.77792252904 2.78973800569 -0.14161044326 0.00569349588 1.13352751953 -0.04770454284 0.00555877690 -0.00025688808 3.25098634008 -0.75425878937 0.08185511632 -0.00272390479 0.62336280598 0.07668787044 -0.00397699066 -0.00002905095 NC8H18 HE -14.06927137525 3.06251224199 -0.21690245495 0.01116673537 0.89399585095 0.06010348757 -0.01095585296 0.00058717792 3.35662112625 -0.89682729480 0.11304627858 -0.00457367852 0.59524905197 0.10433016092 -0.00902648123 0.00023237338 NC8H18 H2O -16.30580202216 3.00862872570 -0.13536398948 0.00427254046 0.95738362120 0.06265703060 -0.01378763482 0.00080371461 2.19565920739 -0.13787137332 -0.01365589357 0.00162943785 0.71851356110 -0.00599049484 0.00987251093 -0.00069608645 NC7H16 AR -15.83369650086 2.95183269966 -0.14831595248 0.00551075838 1.55500850326 -0.21985235887 0.02945052206 -0.00135899860 1.70500354321 0.05512934168 -0.04710008996 0.00375358334 0.57520944330 0.07800913430 -0.00334631712 -0.00005153618 NC7H16 N2 -15.56498984248 2.90285875478 -0.14482625951 0.00547220795 1.59451489490 -0.24132615530 0.03313710373 -0.00156213442 2.03886397484 -0.10014769836 -0.02406652041 0.00264894738 0.60707474567 0.06572323386 -0.00159745440 -0.00013885476 NC7H16 O2 -15.63367144832 2.90855983407 -0.14405582789 0.00538984593 1.54796972565 -0.21622867714 0.02885241094 -0.00132695978 1.66176461160 0.07520989247 -0.05006725465 0.00389515063 0.57059531890 0.07979485265 -0.00360019072 -0.00003892129 NC7H16 CO -15.56499821030 2.90287781380 -0.14482913864 0.00547235148 1.59451489490 -0.24132615530 0.03313710373 -0.00156213442 2.03886397484 -0.10014769836 -0.02406652041 0.00264894738 0.60707474567 0.06572323386 -0.00159745440 -0.00013885476 NC7H16 CO2 -16.18154038454 2.93674755905 -0.13670572693 0.00468893331 1.23045020320 -0.06167863053 0.00457147290 -0.00007522901 0.56183294970 0.58852872823 -0.12443101392 0.00732277620 0.42108193450 0.13483158022 -0.01124559909 0.00033697957 NC7H16 H2 -13.77660897649 2.83784685203 -0.14922117528 0.00609519427 1.13847959948 -0.05128244321 0.00637299548 -0.00030888324 3.30407011940 -0.77849372158 0.08545643784 -0.00289714844 0.61705002957 0.07956630247 -0.00439800108 -0.00000956813 NC7H16 HE -14.15140081026 3.16737074904 -0.23614218440 0.01233161487 0.85977001114 0.07508030556 -0.01301688541 0.00068136644 3.42656437908 -0.93074133874 0.11843894857 -0.00485357877 0.59081551399 0.10653048467 -0.00937486353 0.00024961985 NC7H16 H2O -16.43398036280 3.10459824912 -0.14776664179 0.00480573517 0.94865035519 0.06843772270 -0.01486151397 0.00086842253 2.23503463036 -0.16183610681 -0.00930014024 0.00138124288 0.69661542730 0.00120434565 0.00914539665 -0.00067515288 NC6H14 AR -15.91697560155 3.05206720296 -0.16297595050 0.00622162961 1.64310506009 -0.25915309839 0.03532447930 -0.00164581006 1.56552017157 0.11773079344 -0.05653356957 0.00423013298 0.54026731407 0.09295639557 -0.00545063526 0.00004592699 NC6H14 N2 -15.61716312455 2.98886536212 -0.15781169152 0.00611931452 1.68840209495 -0.28378602868 0.03956797675 -0.00188053429 1.94929495944 -0.05946749752 -0.03031502129 0.00297249692 0.57966434036 0.07748883841 -0.00325144050 -0.00006275699 NC6H14 O2 -15.69374527490 2.99903586422 -0.15761665229 0.00606047126 1.63496945261 -0.25496775474 0.03463214816 -0.00160861922 1.51592316315 0.14058171481 -0.05990045394 0.00439078422 0.53457609097 0.09519744550 -0.00576889723 0.00006158956 NC6H14 CO -15.61717820838 2.98888605439 -0.15781481703 0.00611947035 1.68840209495 -0.28378602868 0.03956797675 -0.00188053429 1.94929495944 -0.05946749752 -0.03031502129 0.00297249692 0.57966434036 0.07748883841 -0.00325144050 -0.00006275699 NC6H14 CO2 -16.28806060640 3.04301934274 -0.15162609349 0.00538146516 1.26560374068 -0.07538786275 0.00636633790 -0.00014790842 0.28315627218 0.70894973695 -0.14184059217 0.00816385728 0.34888378930 0.16522914269 -0.01548421950 0.00053287449 NC6H14 H2 -13.78832190089 2.89769291492 -0.15868862417 0.00659488366 1.14511843094 -0.05609010034 0.00746870409 -0.00037888413 3.37580511770 -0.81124152176 0.09032228557 -0.00313118765 0.60853014451 0.08345057990 -0.00496598986 0.00001670491 NC6H14 HE -14.28260972235 3.30537285134 -0.26129286778 0.01384592078 0.81336079315 0.09539528369 -0.01581407756 0.00080929548 3.52131218556 -0.97667874070 0.12574279880 -0.00523263870 0.58483752785 0.10949713327 -0.00984445353 0.00027285205 NC6H14 H2O -16.61195366363 3.22568029666 -0.16338876607 0.00547609410 0.93620728279 0.07652736044 -0.01635264350 0.00095778269 2.28926733791 -0.19468262623 -0.00334503020 0.00104243432 0.66734488614 0.01078047623 0.00818493095 -0.00064796923 NC5H12 AR -16.05593250748 3.18615656871 -0.18258743880 0.00717259967 1.76825105303 -0.31497592700 0.04366727774 -0.00205312935 1.36687032044 0.20688494563 -0.06996805069 0.00490878876 0.49048988400 0.11425022745 -0.00844851771 0.00018478060 NC5H12 N2 -15.71042733814 3.10249771820 -0.17496823887 0.00697428837 1.82163343206 -0.34403232137 0.04869208745 -0.00233224050 1.82187202460 -0.00159771063 -0.03920339759 0.00343271670 0.54067029537 0.09422719262 -0.00560459058 0.00004551438 NC5H12 O2 -15.79922131887 3.11924729878 -0.17563451672 0.00695152301 1.75856350998 -0.30999546372 0.04284151544 -0.00200863941 1.30819624170 0.23369132218 -0.07390571987 0.00509669613 0.48325707377 0.11714300268 -0.00885893829 0.00020480486 NC5H12 CO -15.71044792725 3.10251912857 -0.17497146962 0.00697444932 1.82163343206 -0.34403232137 0.04869208745 -0.00233224050 1.82187202460 -0.00159771063 -0.03920339759 0.00343271670 0.54067029537 0.09422719262 -0.00560459058 0.00004551438 NC5H12 CO2 -16.45738222562 3.18474543245 -0.17152343600 0.00630496353 1.31483895367 -0.09455199242 0.00887066912 -0.00024895938 -0.11233529244 0.87983963147 -0.16654557670 0.00935735222 0.24631393677 0.20841325156 -0.02150565390 0.00081115807 NC5H12 H2 -13.82033284989 2.97414385149 -0.17078276761 0.00723319733 1.15447845039 -0.06289122909 0.00902210486 -0.00047818764 3.47811587043 -0.85794309535 0.09726047906 -0.00346483274 0.59640058640 0.08897948568 -0.00577418930 0.00005406648 NC5H12 HE -14.49365012426 3.49435129797 -0.29546089195 0.01588951053 0.74685036261 0.12452316023 -0.01982786537 0.00099306371 3.65690341831 -1.04241086310 0.13619261317 -0.00577489381 0.57633863352 0.11371446923 -0.01051175925 0.00030583644 NC5H12 H2O -16.86383658977 3.38269642593 -0.18360246272 0.00634133991 0.91718253060 0.08861872619 -0.01855890600 0.00108904927 2.36865659468 -0.24245075395 0.00528592479 0.00055241150 0.62624069739 0.02414532966 0.00685927528 -0.00061140634 C4H10 AR -16.28667124822 3.37262679953 -0.20985995700 0.00849505399 1.96003631761 -0.40051008058 0.05644913851 -0.00267708442 1.06127245054 0.34403335237 -0.09063411841 0.00595272782 0.41388154675 0.14702286889 -0.01306264157 0.00039850420 C4H10 N2 -15.87115197950 3.25829284276 -0.19849088162 0.00814652084 2.02549405576 -0.43620131859 0.06264929636 -0.00302312912 1.62616921043 0.08727534144 -0.05285261132 0.00413938825 0.48078228110 0.11993574576 -0.00921904833 0.00021183379 C4H10 O2 -15.97960277892 3.28516249534 -0.20050306159 0.00818138885 1.94798526054 -0.39431775077 0.05541989862 -0.00262145677 0.98858697002 0.37694616081 -0.09545313564 0.00618273243 0.40426299031 0.15092425557 -0.01361567306 0.00042527657 C4H10 CO -15.87117603404 3.25831360387 -0.19849401423 0.00814667688 2.02549405576 -0.43620131859 0.06264929636 -0.00302312912 1.62616921043 0.08727534144 -0.05285261132 0.00413938825 0.48078228110 0.11993574576 -0.00921904833 0.00021183379 C4H10 CO2 -16.72852341878 3.38084670443 -0.19905329623 0.00758263577 1.38869077316 -0.12321282373 0.01260508301 -0.00039881533 -0.71756498218 1.14133613964 -0.20434695294 0.01118344707 0.08910366124 0.27460018225 -0.03073420196 0.00123764355 C4H10 H2 -13.88515039236 3.07516134341 -0.18676296145 0.00807659089 1.16865578413 -0.07324659415 0.01139519984 -0.00063003761 3.63584230263 -0.92992998288 0.10795289211 -0.00397884764 0.57775100842 0.09747788121 -0.00701580620 0.00011141115 C4H10 HE -14.84280512521 3.76698469693 -0.34428681236 0.01878625536 0.64356121889 0.16979062199 -0.02607303604 0.00127945874 3.86700016091 -1.14424388401 0.15237854560 -0.00661462660 0.56330028561 0.12018355456 -0.01153475547 0.00035633290 C4H10 H2O -17.22971766371 3.59314228662 -0.21061119304 0.00749344454 0.88490055004 0.10853820838 -0.02214393373 0.00130023266 2.49577112953 -0.31822541960 0.01891036117 -0.00021878293 0.56435768149 0.04407190801 0.00491777091 -0.00056014386 POSF10264 AR -15.75087921300 2.72225082660 -0.11473795695 0.00388253985 1.36643830045 -0.13571763275 0.01687447363 -0.00074486243 2.00258275760 -0.07843044906 -0.02697333079 0.00273681990 0.64972853583 0.04613288392 0.00114115504 -0.00025936818 POSF10264 N2 -15.54124336572 2.70157874028 -0.11443697580 0.00395782825 1.39327587613 -0.15030405811 0.01934984064 -0.00087943549 2.23022678355 -0.18706577775 -0.01071497110 0.00195755394 0.66563740238 0.04058705285 0.00193593852 -0.00030140994 POSF10264 O2 -15.59663435941 2.69880564694 -0.11261772889 0.00383516225 1.36176050329 -0.13330214557 0.01647894369 -0.00072389502 1.97286731860 -0.06424172829 -0.02909054900 0.00283781756 0.64740095964 0.04695196614 0.00102398944 -0.00025322544 POSF10264 CO -15.54124016340 2.70159617076 -0.11443960660 0.00395795935 1.39327587613 -0.15030405811 0.01934984064 -0.00087943549 2.23022678355 -0.18706577775 -0.01071497110 0.00195755394 0.66563740238 0.04058705285 0.00193593852 -0.00030140994 POSF10264 CO2 -16.04457177596 2.69256114480 -0.10242060150 0.00309748396 1.15383457888 -0.03172841890 0.00064109768 0.00008461904 1.15909181368 0.33042560106 -0.08711440161 0.00551988550 0.57560713401 0.06977019444 -0.00217320210 -0.00008233053 POSF10264 H2 -13.82295547937 2.68918641147 -0.12570316119 0.00485388411 1.12413823644 -0.04093970246 0.00402210747 -0.00015880964 3.15131233722 -0.70874979546 0.07509163019 -0.00239848382 0.63523419995 0.07127398380 -0.00318489828 -0.00006572524 POSF10264 HE -13.97452867152 2.86005833161 -0.17938339779 0.00887664317 0.95799514383 0.03210968790 -0.00710609321 0.00041141023 3.22567980048 -0.83333000039 0.10294847358 -0.00404949979 0.60359513946 0.10018774073 -0.00837038531 0.00019986914 POSF10264 H2O -16.09329892443 2.81250459328 -0.10996359302 0.00317797225 0.97269374131 0.05227425033 -0.01183900874 0.00068546694 2.12345748298 -0.09365549959 -0.02171780021 0.00208969312 0.76017710806 -0.01974898285 0.01127534069 -0.00073726797 POSF10325 AR -15.75087921300 2.72225082660 -0.11473795695 0.00388253985 1.36643830045 -0.13571763275 0.01687447363 -0.00074486243 2.00258275760 -0.07843044906 -0.02697333079 0.00273681990 0.64972853583 0.04613288392 0.00114115504 -0.00025936818 POSF10325 N2 -15.54124336572 2.70157874028 -0.11443697580 0.00395782825 1.39327587613 -0.15030405811 0.01934984064 -0.00087943549 2.23022678355 -0.18706577775 -0.01071497110 0.00195755394 0.66563740238 0.04058705285 0.00193593852 -0.00030140994 POSF10325 O2 -15.59663435941 2.69880564694 -0.11261772889 0.00383516225 1.36176050329 -0.13330214557 0.01647894369 -0.00072389502 1.97286731860 -0.06424172829 -0.02909054900 0.00283781756 0.64740095964 0.04695196614 0.00102398944 -0.00025322544 POSF10325 CO -15.54124016340 2.70159617076 -0.11443960660 0.00395795935 1.39327587613 -0.15030405811 0.01934984064 -0.00087943549 2.23022678355 -0.18706577775 -0.01071497110 0.00195755394 0.66563740238 0.04058705285 0.00193593852 -0.00030140994 POSF10325 CO2 -16.04457177596 2.69256114480 -0.10242060150 0.00309748396 1.15383457888 -0.03172841890 0.00064109768 0.00008461904 1.15909181368 0.33042560106 -0.08711440161 0.00551988550 0.57560713401 0.06977019444 -0.00217320210 -0.00008233053 POSF10325 H2 -13.82295547937 2.68918641147 -0.12570316119 0.00485388411 1.12413823644 -0.04093970246 0.00402210747 -0.00015880964 3.15131233722 -0.70874979546 0.07509163019 -0.00239848382 0.63523419995 0.07127398380 -0.00318489828 -0.00006572524 POSF10325 HE -13.97452867152 2.86005833161 -0.17938339779 0.00887664317 0.95799514383 0.03210968790 -0.00710609321 0.00041141023 3.22567980048 -0.83333000039 0.10294847358 -0.00404949979 0.60359513946 0.10018774073 -0.00837038531 0.00019986914 POSF10325 H2O -16.09329892443 2.81250459328 -0.10996359302 0.00317797225 0.97269374131 0.05227425033 -0.01183900874 0.00068546694 2.12345748298 -0.09365549959 -0.02171780021 0.00208969312 0.76017710806 -0.01974898285 0.01127534069 -0.00073726797 POSF10289 AR -15.75873322731 2.68777926099 -0.10969623213 0.00363806269 1.33934733658 -0.12362910733 0.01506741509 -0.00065660832 2.04522498126 -0.09756955119 -0.02408911419 0.00259111251 0.66040424700 0.04156633689 0.00178400864 -0.00028914032 POSF10289 N2 -15.55623102376 2.67074428677 -0.10978162710 0.00372584193 1.36433374009 -0.13721183072 0.01736659862 -0.00078122357 2.25767879507 -0.19953524755 -0.00879942749 0.00185835475 0.67403876056 0.03698116259 0.00244279623 -0.00032472685 POSF10289 O2 -15.61029933500 2.66694535294 -0.10784254293 0.00359902205 1.33500998053 -0.12138775164 0.01470107237 -0.00063723542 2.01744349968 -0.08422334525 -0.02608480644 0.00268631044 0.65840234633 0.04224776200 0.00168630990 -0.00028391920 POSF10289 CO -15.55622277068 2.67076001483 -0.10978400028 0.00372596015 1.36433374009 -0.13721183072 0.01736659862 -0.00078122357 2.25767879507 -0.19953524755 -0.00879942749 0.00185835475 0.67403876056 0.03698116259 0.00244279623 -0.00032472685 POSF10289 CO2 -16.04427976455 2.65583489721 -0.09726381506 0.00285810394 1.14267420562 -0.02735780607 0.00006653567 0.00010806243 1.24498198422 0.29330657674 -0.08174750507 0.00526058463 0.59780581293 0.06042345259 -0.00086982690 -0.00014257185 POSF10289 H2 -13.84508031673 2.66512419541 -0.12189646759 0.00465295701 1.12206324349 -0.03944801250 0.00368375112 -0.00013722304 3.12945420286 -0.69876920265 0.07360818391 -0.00232709838 0.63784072308 0.07008513572 -0.00301091942 -0.00007378391 POSF10289 HE -13.96987338103 2.81483324122 -0.17092516112 0.00835658041 0.97198376102 0.02599295051 -0.00626535929 0.00037305366 3.19703242153 -0.81943692222 0.10073890445 -0.00393478966 0.60542926980 0.09927735792 -0.00822615819 0.00019271963 POSF10289 H2O -16.05657829305 2.76654120023 -0.10400056340 0.00292052154 0.97586144334 0.05007957999 -0.01142350484 0.00066010321 2.10792556792 -0.08409530608 -0.02346541061 0.00218961984 0.76940878182 -0.02280948491 0.01158950971 -0.00074662524 POSF11498 AR -15.77171157090 2.65846483835 -0.10540878439 0.00343016123 1.31650397614 -0.11343569438 0.01354362420 -0.00058218692 2.08116011364 -0.11369839109 -0.02165852563 0.00246832139 0.66940002606 0.03771841015 0.00232569421 -0.00031422687 POSF11498 N2 -15.57486895316 2.64437966185 -0.10580112867 0.00352748506 1.33992370196 -0.12616945568 0.01569384582 -0.00069838572 2.28081885478 -0.21004622609 -0.00718472590 0.00177473413 0.68112039084 0.03394173585 0.00287002410 -0.00034438025 POSF11498 O2 -15.62796312968 2.63976299761 -0.10376850325 0.00339755566 1.31245451125 -0.11134154923 0.01320195086 -0.00056416146 2.05500704954 -0.10106156397 -0.02355190127 0.00255863666 0.66767300842 0.03828362376 0.00224443298 -0.00030978412 POSF11498 CO -15.57485248539 2.64439224166 -0.10580303536 0.00352758034 1.33992370196 -0.12616945568 0.01569384582 -0.00069838572 2.28081885478 -0.21004622609 -0.00718472590 0.00177473413 0.68112039084 0.03394173585 0.00287002410 -0.00034438025 POSF11498 CO2 -16.05034695198 2.62459662035 -0.09287755461 0.00265448937 1.13323383732 -0.02365926044 -0.00041987062 0.00012792352 1.31742208376 0.26199985805 -0.07722094246 0.00504188271 0.61652362579 0.05254229288 0.00022918285 -0.00019336780 POSF11498 H2 -13.86894778985 2.64423297213 -0.11859142089 0.00447850715 1.12031132568 -0.03818934864 0.00339836810 -0.00011901807 3.11104061015 -0.69036123077 0.07235844055 -0.00226695615 0.64003713136 0.06908330440 -0.00286429889 -0.00008057616 POSF11498 HE -13.97251221042 2.77654650907 -0.16373968607 0.00791356238 0.98375573413 0.02084602285 -0.00555804674 0.00034079199 3.17291852890 -0.80774210636 0.09887889325 -0.00383822370 0.60697542087 0.09850990039 -0.00810456361 0.00018669087 POSF11498 H2O -16.03026295960 2.72695626259 -0.09886200414 0.00269852222 0.97847765728 0.04825340956 -0.01107673269 0.00063889257 2.09492511270 -0.07607949722 -0.02493197544 0.00227352042 0.77721230818 -0.02539983352 0.01185600043 -0.00075459930 POSF12345 AR -15.75032169345 2.76333646679 -0.12074702509 0.00417392351 1.39908336201 -0.15028407731 0.01905190392 -0.00085120212 1.95116112292 -0.05535100687 -0.03045132918 0.00291252362 0.63685445868 0.05163980278 0.00036591782 -0.00022346485 POSF12345 N2 -15.53153739388 2.73810189320 -0.11995121168 0.00423261561 1.42814138009 -0.16607528716 0.02173885711 -0.00099773892 2.19713279376 -0.17203376802 -0.01302413492 0.00207713555 0.65550965524 0.04493395466 0.00132491454 -0.00027330068 POSF12345 O2 -15.58875465758 2.73664281007 -0.11828873131 0.00411560270 1.39399550596 -0.14765882857 0.01862121216 -0.00082831363 1.91911328702 -0.04014619756 -0.03271511089 0.00302051603 0.63413292507 0.05262542929 0.00022519736 -0.00021620684 POSF12345 CO -15.53153516075 2.73811905369 -0.11995380047 0.00423274453 1.42814138009 -0.16607528716 0.02173885711 -0.00099773892 2.19713279376 -0.17203376802 -0.01302413492 0.00207713555 0.65550965524 0.04493395466 0.00132491454 -0.00027330068 POSF12345 CO2 -16.05373572107 2.73631859201 -0.10856457280 0.00338268528 1.16723171361 -0.03697240329 0.00133014304 0.00005652942 1.05562034470 0.37514208382 -0.09357971412 0.00583225356 0.54885728895 0.08103312146 -0.00374377076 -0.00000974032 POSF12345 H2 -13.80344696834 2.71720129968 -0.13013514689 0.00508781359 1.12663326962 -0.04273506773 0.00442959635 -0.00018481163 3.17768109961 -0.72078966870 0.07688108503 -0.00248458989 0.63209155753 0.07270728331 -0.00339463040 -0.00005601216 POSF12345 HE -13.98938480299 2.91425257842 -0.18947975917 0.00949551144 0.94109732228 0.03949947996 -0.00812202477 0.00045777364 3.26027085052 -0.85010504826 0.10561630491 -0.00418799547 0.60138439835 0.10128503736 -0.00854420729 0.00020848371 POSF12345 H2O -16.14367824670 2.86650054640 -0.11696379554 0.00347996742 0.96878117917 0.05496133234 -0.01234593867 0.00071633757 2.14233876060 -0.10525361710 -0.01959983637 0.00196866514 0.74908598957 -0.01607769549 0.01089947273 -0.00072613616 POSF7688 AR -15.75873322731 2.68777926099 -0.10969623213 0.00363806269 1.33934733658 -0.12362910733 0.01506741509 -0.00065660832 2.04522498126 -0.09756955119 -0.02408911419 0.00259111251 0.66040424700 0.04156633689 0.00178400864 -0.00028914032 POSF7688 N2 -15.55623102376 2.67074428677 -0.10978162710 0.00372584193 1.36433374009 -0.13721183072 0.01736659862 -0.00078122357 2.25767879507 -0.19953524755 -0.00879942749 0.00185835475 0.67403876056 0.03698116259 0.00244279623 -0.00032472685 POSF7688 O2 -15.61029933500 2.66694535294 -0.10784254293 0.00359902205 1.33500998053 -0.12138775164 0.01470107237 -0.00063723542 2.01744349968 -0.08422334525 -0.02608480644 0.00268631044 0.65840234633 0.04224776200 0.00168630990 -0.00028391920 POSF7688 CO -15.55622277068 2.67076001483 -0.10978400028 0.00372596015 1.36433374009 -0.13721183072 0.01736659862 -0.00078122357 2.25767879507 -0.19953524755 -0.00879942749 0.00185835475 0.67403876056 0.03698116259 0.00244279623 -0.00032472685 POSF7688 CO2 -16.04427976455 2.65583489721 -0.09726381506 0.00285810394 1.14267420562 -0.02735780607 0.00006653567 0.00010806243 1.24498198422 0.29330657674 -0.08174750507 0.00526058463 0.59780581293 0.06042345259 -0.00086982690 -0.00014257185 POSF7688 H2 -13.84508031673 2.66512419541 -0.12189646759 0.00465295701 1.12206324349 -0.03944801250 0.00368375112 -0.00013722304 3.12945420286 -0.69876920265 0.07360818391 -0.00232709838 0.63784072308 0.07008513572 -0.00301091942 -0.00007378391 POSF7688 HE -13.96987338103 2.81483324122 -0.17092516112 0.00835658041 0.97198376102 0.02599295051 -0.00626535929 0.00037305366 3.19703242153 -0.81943692222 0.10073890445 -0.00393478966 0.60542926980 0.09927735792 -0.00822615819 0.00019271963 POSF7688 H2O -16.05657829305 2.76654120023 -0.10400056340 0.00292052154 0.97586144334 0.05007957999 -0.01142350484 0.00066010321 2.10792556792 -0.08409530608 -0.02346541061 0.00218961984 0.76940878182 -0.02280948491 0.01158950971 -0.00074662524 POSF5433 AR -15.77171157090 2.65846483835 -0.10540878439 0.00343016123 1.31650397614 -0.11343569438 0.01354362420 -0.00058218692 2.08116011364 -0.11369839109 -0.02165852563 0.00246832139 0.66940002606 0.03771841015 0.00232569421 -0.00031422687 POSF5433 N2 -15.57486895316 2.64437966185 -0.10580112867 0.00352748506 1.33992370196 -0.12616945568 0.01569384582 -0.00069838572 2.28081885478 -0.21004622609 -0.00718472590 0.00177473413 0.68112039084 0.03394173585 0.00287002410 -0.00034438025 POSF5433 O2 -15.62796312968 2.63976299761 -0.10376850325 0.00339755566 1.31245451125 -0.11134154923 0.01320195086 -0.00056416146 2.05500704954 -0.10106156397 -0.02355190127 0.00255863666 0.66767300842 0.03828362376 0.00224443298 -0.00030978412 POSF5433 CO -15.57485248539 2.64439224166 -0.10580303536 0.00352758034 1.33992370196 -0.12616945568 0.01569384582 -0.00069838572 2.28081885478 -0.21004622609 -0.00718472590 0.00177473413 0.68112039084 0.03394173585 0.00287002410 -0.00034438025 POSF5433 CO2 -16.05034695198 2.62459662035 -0.09287755461 0.00265448937 1.13323383732 -0.02365926044 -0.00041987062 0.00012792352 1.31742208376 0.26199985805 -0.07722094246 0.00504188271 0.61652362579 0.05254229288 0.00022918285 -0.00019336780 POSF5433 H2 -13.86894778985 2.64423297213 -0.11859142089 0.00447850715 1.12031132568 -0.03818934864 0.00339836810 -0.00011901807 3.11104061015 -0.69036123077 0.07235844055 -0.00226695615 0.64003713136 0.06908330440 -0.00286429889 -0.00008057616 POSF5433 HE -13.97251221042 2.77654650907 -0.16373968607 0.00791356238 0.98375573413 0.02084602285 -0.00555804674 0.00034079199 3.17291852890 -0.80774210636 0.09887889325 -0.00383822370 0.60697542087 0.09850990039 -0.00810456361 0.00018669087 POSF5433 H2O -16.03026295960 2.72695626259 -0.09886200414 0.00269852222 0.97847765728 0.04825340956 -0.01107673269 0.00063889257 2.09492511270 -0.07607949722 -0.02493197544 0.00227352042 0.77721230818 -0.02539983352 0.01185600043 -0.00075459930 SAC8H16 AR -15.78552879972 2.87444867428 -0.13699798618 0.00496194326 1.48962986370 -0.19068404207 0.02509075671 -0.00114610657 1.80832720971 0.00875604517 -0.04011195357 0.00340056028 0.60108767646 0.06693933777 -0.00178791098 -0.00012371324 SAC8H16 N2 -15.53878519236 2.83573767212 -0.13469226270 0.00496720109 1.52478651471 -0.20978943301 0.02836038090 -0.00132561881 2.10526603250 -0.13030704862 -0.01943385763 0.00240905774 0.62739569981 0.05700091719 -0.00037132624 -0.00019526513 SAC8H16 O2 -15.60218567629 2.83828870017 -0.13352346387 0.00486899261 1.48340752346 -0.18747829356 0.02456273767 -0.00111789937 1.76979020971 0.02678798439 -0.04278356600 0.00352801880 0.59726946147 0.06838858239 -0.00199419974 -0.00011335098 SAC8H16 CO -15.53879314167 2.83575766851 -0.13469527801 0.00496735122 1.52478651471 -0.20978943301 0.02836038090 -0.00132561881 2.10526603250 -0.13030704862 -0.01943385763 0.00240905774 0.62739569981 0.05700091719 -0.00037132624 -0.00019526513 SAC8H16 CO2 -16.11521327556 2.85454569212 -0.12516441423 0.00415322344 1.20409897106 -0.05138840084 0.00322247457 -0.00002047054 0.76878967856 0.49909581980 -0.11150108501 0.00669809914 0.47465915226 0.11227364343 -0.00810007798 0.00019160124 SAC8H16 H2 -13.77792252904 2.78973800569 -0.14161044326 0.00569349588 1.13352751953 -0.04770454284 0.00555877690 -0.00025688808 3.25098634008 -0.75425878937 0.08185511632 -0.00272390479 0.62336280598 0.07668787044 -0.00397699066 -0.00002905095 SAC8H16 HE -14.06927137525 3.06251224199 -0.21690245495 0.01116673537 0.89399585095 0.06010348757 -0.01095585296 0.00058717792 3.35662112625 -0.89682729480 0.11304627858 -0.00457367852 0.59524905197 0.10433016092 -0.00902648123 0.00023237338 SAC8H16 H2O -16.30580202216 3.00862872570 -0.13536398948 0.00427254046 0.95738362120 0.06265703060 -0.01378763482 0.00080371461 2.19565920739 -0.13787137332 -0.01365589357 0.00162943785 0.71851356110 -0.00599049484 0.00987251093 -0.00069608645 SDC8H14 AR -15.78552879972 2.87444867428 -0.13699798618 0.00496194326 1.48962986370 -0.19068404207 0.02509075671 -0.00114610657 1.80832720971 0.00875604517 -0.04011195357 0.00340056028 0.60108767646 0.06693933777 -0.00178791098 -0.00012371324 SDC8H14 N2 -15.53878519236 2.83573767212 -0.13469226270 0.00496720109 1.52478651471 -0.20978943301 0.02836038090 -0.00132561881 2.10526603250 -0.13030704862 -0.01943385763 0.00240905774 0.62739569981 0.05700091719 -0.00037132624 -0.00019526513 SDC8H14 O2 -15.60218567629 2.83828870017 -0.13352346387 0.00486899261 1.48340752346 -0.18747829356 0.02456273767 -0.00111789937 1.76979020971 0.02678798439 -0.04278356600 0.00352801880 0.59726946147 0.06838858239 -0.00199419974 -0.00011335098 SDC8H14 CO -15.53879314167 2.83575766851 -0.13469527801 0.00496735122 1.52478651471 -0.20978943301 0.02836038090 -0.00132561881 2.10526603250 -0.13030704862 -0.01943385763 0.00240905774 0.62739569981 0.05700091719 -0.00037132624 -0.00019526513 SDC8H14 CO2 -16.11521327556 2.85454569212 -0.12516441423 0.00415322344 1.20409897106 -0.05138840084 0.00322247457 -0.00002047054 0.76878967856 0.49909581980 -0.11150108501 0.00669809914 0.47465915226 0.11227364343 -0.00810007798 0.00019160124 SDC8H14 H2 -13.77792252904 2.78973800569 -0.14161044326 0.00569349588 1.13352751953 -0.04770454284 0.00555877690 -0.00025688808 3.25098634008 -0.75425878937 0.08185511632 -0.00272390479 0.62336280598 0.07668787044 -0.00397699066 -0.00002905095 SDC8H14 HE -14.06927137525 3.06251224199 -0.21690245495 0.01116673537 0.89399585095 0.06010348757 -0.01095585296 0.00058717792 3.35662112625 -0.89682729480 0.11304627858 -0.00457367852 0.59524905197 0.10433016092 -0.00902648123 0.00023237338 SDC8H14 H2O -16.30580202216 3.00862872570 -0.13536398948 0.00427254046 0.95738362120 0.06265703060 -0.01378763482 0.00080371461 2.19565920739 -0.13787137332 -0.01365589357 0.00162943785 0.71851356110 -0.00599049484 0.00987251093 -0.00069608645 ENDDIFF