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0.0, 0.0, 0.0, 0.0, -68066.817, -39.912774], "composition": "{Cs: 1, F: 1}", "model": "NASA7"}, "CsOH(a)": {"Cp": [298.15, 410.0, 5.88946051, 0.00613189982, 8.60763952e-06, -1.20614689e-08, 0.0, -52201.0341, -23.7840127], "composition": "{Cs: 1, O: 1, H: 1}", "model": "NASA7"}, "CsOH(b)": {"Cp": [410.0, 493.0, 4.92104624, 0.0100655116, 0.0, 0.0, 0.0, -51866.0681, -18.7438113], "composition": "{Cs: 1, O: 1, H: 1}", "model": "NASA7"}, "CsOH(c)": {"Cp": [493.0, 588.0, 10.0644544, 0.0, 0.0, 0.0, 0.0, -52448.865, -44.1931478], "composition": "{Cs: 1, O: 1, H: 1}", "model": "NASA7"}, "CsOH(L)": {"Cp": [588.0, 6000.0, 9.812843, 0.0, 0.0, 0.0, 0.0, -51752.4722, -41.6559605], "composition": "{Cs: 1, O: 1, H: 1}", "model": "NASA7"}, "Cs2SO4(II)": {"Cp": [300.0, 940.0, -2.9789307, 0.12650884, -0.00029553206, 3.3207308e-07, -1.3104991e-10, -176233.52, 15.185747], "composition": "{Cs: 2, S: 1, O: 4}", "model": "NASA7"}, "Cs2SO4(I)": {"Cp": [940.0, 1000.0, 1278.0, 4.7349836, 0.0186196, 0.0, 0.0, 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"composition": "{Li: 1, H: 1}", "model": "NASA7"}, "LiOH(s)": {"Cp": [300.0, 744.3, 0.63227797, 0.025340538, -2.789795e-05, 8.6925893e-09, 4.1499894e-12, -59412.68, -4.8382697], "composition": "{Li: 1, O: 1, H: 1}", "model": "NASA7"}, "LiOH(L)": {"Cp": [744.3, 5000.0, 10.474218, 0.0, 0.0, 0.0, 0.0, -60185.671, -53.89714], "composition": "{Li: 1, O: 1, H: 1}", "model": "NASA7"}, "Li2O(s)": {"Cp": [300.0, 1000.0, 1843.0, -0.31727239, 0.036149356, -5.5455921e-05, 4.1796437e-08, -1.1804048e-11, -73106.196, -2.288833, 4.2774776, 0.0078521672, -5.222509e-07, -1.7864426e-09, 5.3961035e-13, -73396.278, -21.765497], "composition": "{Li: 2, O: 1}", "model": "NASA7"}, "Li2O(L)": {"Cp": [1843.0, 5000.0, 12.076931, 0.0, 0.0, 0.0, 0.0, -71337.921, -65.174974], "composition": "{Li: 2, O: 1}", "model": "NASA7"}, "Li2SO4(a)": {"Cp": [200.0, 848.0, -4.13873597, 0.106940568, -0.000209346052, 2.12892822e-07, -8.01625106e-11, -174806.776, 12.9835773], "composition": "{Li: 2, S: 1, O: 4}", "model": "NASA7"}, "Li2SO4(b)": {"Cp": [848.0, 1000.0, 1132.0, 25.7954812, -0.000284625052, 1.53301129e-07, 0.0, 0.0, -180308.445, -136.312168, 26.1026513, -0.000829304728, 3.90810735e-07, 0.0, 0.0, -180422.445, -138.008099], "composition": "{Li: 2, S: 1, O: 4}", "model": "NASA7"}, "Li2SO4(L)": {"Cp": [1132.0, 6000.0, 24.6579132, 0.0, 0.0, 0.0, 0.0, -178097.798, -127.626158], "composition": "{Li: 2, S: 1, O: 4}", "model": "NASA7"}, "Li3N(s)": {"Cp": [300.0, 1000.0, 1300.0, 2.9225558, 0.028598702, -3.5336947e-05, 3.1861985e-08, -1.1093501e-11, -21678.029, -16.331057, 5.4422503, 0.013477737, -1.9422322e-06, -2.4960109e-11, 0.0, -22015.776, -27.457275], "composition": "{Li: 3, N: 1}", "model": "NASA7"}, "Mg(cr)": {"Cp": [298.15, 923.0, 1.47884944, 0.00927430526, -1.95050788e-05, 1.98215527e-08, -7.04927374e-12, -716.649299, -6.57222695], "composition": "{Mg: 1}", "model": "NASA7"}, "Mg(L)": {"Cp": [923.0, 6000.0, 4.12531827, 0.0, 0.0, 0.0, 0.0, -658.934341, -19.3786894], "composition": "{Mg: 1}", "model": "NASA7"}, "MgAL2O4(s)": {"Cp": [300.0, 1000.0, 2408.0, -6.3912625, 0.1171886, -0.00021325178, 1.8277405e-07, -5.8831991e-11, -278271.41, 20.132701, 14.697679, 0.0093304797, -3.5522598e-06, 1.155053e-09, -1.4334531e-13, -281664.11, -76.668685], "composition": "{Mg: 1, Al: 2, O: 4}", "model": "NASA7"}, "MgAL2O4(L)": {"Cp": [2408.0, 5000.0, 26.419188, 0.0, 0.0, 0.0, 0.0, -268835.36, -141.98581], "composition": "{Mg: 1, Al: 2, O: 4}", "model": "NASA7"}, "MgBr2(s)": {"Cp": [300.0, 984.0, 5.1966422, 0.020670253, -3.7253939e-05, 3.1937564e-08, -9.9507016e-12, -65252.616, -20.28891], "composition": "{Mg: 1, Br: 2}", "model": "NASA7"}, "MgBr2(L)": {"Cp": [984.0, 5000.0, 12.580737, 0.0, 0.0, 0.0, 0.0, -63962.982, -56.25546], "composition": "{Mg: 1, Br: 2}", "model": "NASA7"}, "MgCO3(s)": {"Cp": [300.0, 1000.0, 1.3491924, 0.036934112, -4.4492952e-05, 3.1815906e-08, -9.75453e-12, -135416.85, -9.0618732], "composition": "{Mg: 1, C: 1, O: 3}", "model": "NASA7"}, "MgCL2(s)": {"Cp": [300.0, 987.0, 5.4491296, 0.016745224, -2.5956907e-05, 1.9111573e-08, -5.1059014e-12, -79343.894, -24.261084], "composition": "{Mg: 1, Cl: 2}", "model": "NASA7"}, "MgCL2(L)": {"Cp": [987.0, 5000.0, 11.071048, 0.0, 0.0, 0.0, 0.0, -76294.618, -48.972588], "composition": "{Mg: 1, Cl: 2}", "model": "NASA7"}, "MgF2(s)": {"Cp": [300.0, 1000.0, 1536.0, 1.603611, 0.031794486, -5.2685798e-05, 4.1587706e-08, -1.2619495e-11, -136720.34, -9.7323171, -2.1022427, 0.035024228, -3.9749893e-05, 2.0461859e-08, -3.953441e-12, -135393.08, 11.044555], "composition": "{Mg: 1, F: 2}", "model": "NASA7"}, "MgF2(L)": {"Cp": [1536.0, 5000.0, 11.416767, 0.0, 0.0, 0.0, 0.0, -134084.1, -57.425069], "composition": "{Mg: 1, F: 2}", "model": "NASA7"}, "MgI2(s)": {"Cp": [300.0, 907.0, 6.7017159, 0.011697022, -1.6836308e-05, 1.3143809e-08, -4.0099957e-12, -46527.761, -25.432043], "composition": "{Mg: 1, I: 2}", "model": "NASA7"}, "MgI2(L)": {"Cp": [907.0, 5000.0, 12.077507, 0.0, 0.0, 0.0, 0.0, -45525.66, -51.883526], "composition": "{Mg: 1, I: 2}", "model": "NASA7"}, "MgO(s)": {"Cp": [300.0, 1000.0, 3105.0, -0.45403953, 0.027873269, -4.9062247e-05, 4.0474151e-08, -1.2670344e-11, -73057.948, -0.6355202, 5.0448681, 0.0016898201, -7.5617695e-07, 2.0286893e-10, -2.0591271e-14, -74029.285, -26.328892], "composition": "{Mg: 1, O: 1}", "model": "NASA7"}, "MgO(L)": {"Cp": [3105.0, 5000.0, 8.0516715, 0.0, 0.0, 0.0, 0.0, -69879.451, -44.343825], "composition": "{Mg: 1, O: 1}", "model": "NASA7"}, "MgO2H2(s)": {"Cp": [300.0, 1000.0, -4.1664248, 0.076844987, -0.00013720767, 1.1426859e-07, -3.5925837e-11, -112384.34, 13.592637], "composition": "{Mg: 1, O: 2, H: 2}", "model": "NASA7"}, "MgS(s)": {"Cp": [300.0, 1000.0, 3000.0, 4.0972877, 0.0069297858, -9.2029286e-06, 5.6329335e-09, -1.217033e-12, -43040.759, -18.996001, 5.3501229, 0.0013433655, -6.2905e-07, 1.9819858e-10, -2.2591648e-14, -43238.548, -24.837831], "composition": "{Mg: 1, S: 1}", "model": "NASA7"}, "MgSO4(s)": {"Cp": [300.0, 1000.0, 1400.0, 2.1534059, 0.048756532, -7.366503e-05, 5.9427787e-08, -1.8433708e-11, -156809.62, -13.028444, -64.47692, 0.26375317, -0.00032491884, 1.8257234e-07, -3.8690767e-11, -140661.07, 321.88389], "composition": "{Mg: 1, S: 1, O: 4}", "model": "NASA7"}, "MgSO4(L)": {"Cp": [1400.0, 5000.0, 19.12272, 0.0, 0.0, 0.0, 0.0, -160928.76, -101.80465], "composition": "{Mg: 1, S: 1, O: 4}", "model": "NASA7"}, "MgSiO3(I)": {"Cp": [300.0, 903.0, 1.3377779, 0.044453222, -6.5973753e-05, 4.7414257e-08, -1.2331098e-11, -188172.26, -10.178936], "composition": "{Mg: 1, Si: 1, O: 3}", "model": "NASA7"}, "MgSiO3(II)": {"Cp": [903.0, 1258.0, 14.473886, 0.0, 0.0, 0.0, 0.0, -191621.72, -76.659464], "composition": "{Mg: 1, Si: 1, O: 3}", "model": "NASA7"}, "MgSiO3(III)": {"Cp": [1258.0, 1850.0, 14.725501, 0.0, 0.0, 0.0, 0.0, -191741.99, -78.299298], "composition": "{Mg: 1, Si: 1, O: 3}", "model": "NASA7"}, "MgSiO3(L)": {"Cp": [1850.0, 5000.0, 17.613031, 0.0, 0.0, 0.0, 0.0, -188025.79, -95.125731], "composition": "{Mg: 1, Si: 1, O: 3}", "model": "NASA7"}, "MgTiO3(s)": {"Cp": [300.0, 1000.0, 1953.0, -0.15777743, 0.062018397, -0.00010480596, 8.4940925e-08, -2.6367295e-11, -191077.38, -4.6616535, 10.288224, 0.01034373, -7.4012179e-06, 2.7928824e-09, -3.9532448e-13, -192811.68, -52.958088], "composition": "{Mg: 1, Ti: 1, O: 3}", "model": "NASA7"}, "MgTiO3(L)": {"Cp": [1953.0, 5000.0, 19.625949, 0.0, 0.0, 0.0, 0.0, -190918.12, -106.56204], "composition": "{Mg: 1, Ti: 1, O: 3}", "model": "NASA7"}, "MgTi2O5(s)": {"Cp": [300.0, 1000.0, 1963.0, 1.2716311, 0.092663794, -0.00016369502, 1.3903373e-07, -4.4513232e-11, -305116.13, -12.422102, 16.776608, 0.012237791, -6.301316e-06, 2.4019488e-09, -3.541293e-13, -307546.55, -83.29339], "composition": "{Mg: 1, Ti: 2, O: 5}", "model": "NASA7"}, "MgTi2O5(L)": {"Cp": [1963.0, 5000.0, 31.401519, 0.0, 0.0, 0.0, 0.0, -304100.01, -168.58649], "composition": "{Mg: 1, Ti: 2, O: 5}", "model": "NASA7"}, "Mg2SiO4(s)": {"Cp": [300.0, 1000.0, 2171.0, 1.3428982, 0.066866588, 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6.01482526e-06, -2.32962338e-09, 3.52007808e-13, -1626.5722, -26.2488891], "composition": "{Mo: 1}", "model": "NASA7"}, "Mo(L)": {"Cp": [2896.0, 6000.0, 4.52894999, 0.0, 0.0, 0.0, 0.0, 2021.40667, -22.8074752], "composition": "{Mo: 1}", "model": "NASA7"}, "NH4CL(a)": {"Cp": [298.15, 458.0, 4.6749383, 0.019273425, 0.0, 0.0, 0.0, -40082.751, -20.959133], "composition": "{N: 1, H: 4, Cl: 1}", "model": "NASA7"}, "NH4CL(b)": {"Cp": [458.0, 793.2, 4.166685, 0.013436049, 0.0, 0.0, 0.0, -38762.693, -14.134402], "composition": "{N: 1, H: 4, Cl: 1}", "model": "NASA7"}, "Na(cr)": {"Cp": [200.0, 371.01, 1.23954242, 0.0200562189, -7.36418252e-05, 1.02712149e-07, 0.0, -813.320916, -4.50651391], "composition": "{Na: 1}", "model": "NASA7"}, "Na(L)": {"Cp": [371.01, 1000.0, 2300.0, 4.32382419, -0.00141145451, -1.31068846e-07, 9.17457679e-10, -2.3506507e-13, -936.522263, -17.2722638, 4.59858543, -0.00242459406, 1.32453794e-06, -4.12375317e-11, 6.40167081e-15, -998.535534, -18.6257127], "composition": 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{"Altname": null, "Form": 2.0, "well_depth": 436.0, "diam": 3.97, "dipole": 0.0, "polar": 0.0, "rot_relax": 2.0}, "CH3CO2": {"Altname": null, "Form": 2.0, "well_depth": 436.0, "diam": 3.97, "dipole": 0.0, "polar": 0.0, "rot_relax": 2.0}, "CH3OCH3": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "CH3OCH2": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "CH3OCH2O2H": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "CH3OCH2O2": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "CH2OCH2O2H": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "O2CH2OCH2O2H": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "HO2CH2OCHO": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "OCH2OCHO": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "HOCH2OCO": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "CH3OCH2OH": {"Altname": "\\AUTHOR:", "Form": 2.0, "well_depth": 405.54, "diam": 5.69, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH3OCH2O": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "CH3OCHO": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "CH3OCO": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "CH2OCHO": {"Altname": null, "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "C3H8": {"Altname": null, "Form": 2.0, "well_depth": 303.4, "diam": 4.81, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H7": {"Altname": null, "Form": 2.0, "well_depth": 303.4, "diam": 4.81, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "NC3H7": {"Altname": null, "Form": 2.0, "well_depth": 303.4, "diam": 4.81, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "NC3H7O2H": {"Altname": null, "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "NC3H7O2": {"Altname": null, "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "IC3H7O2H": {"Altname": null, "Form": 2.0, "well_depth": 459.5, "diam": 5.036, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "IC3H7O2": {"Altname": null, "Form": 2.0, "well_depth": 459.5, "diam": 5.036, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C3H6OOH1-2": {"Altname": null, "Form": 2.0, "well_depth": 435.2, "diam": 4.662, "dipole": 2.7, "polar": 0.0, "rot_relax": 1.0}, "C3H6OOH1-3": {"Altname": null, "Form": 2.0, "well_depth": 435.2, "diam": 4.662, "dipole": 2.7, "polar": 0.0, "rot_relax": 1.0}, "C3H6OOH2-1": {"Altname": null, "Form": 2.0, "well_depth": 435.2, "diam": 4.662, "dipole": 2.7, "polar": 0.0, "rot_relax": 1.0}, "C3H6OOH1-2O2": {"Altname": null, "Form": 2.0, "well_depth": 435.2, "diam": 4.662, "dipole": 2.7, "polar": 0.0, "rot_relax": 1.0}, "C3H6OOH1-3O2": {"Altname": null, "Form": 2.0, "well_depth": 435.2, "diam": 4.662, "dipole": 2.7, "polar": 0.0, "rot_relax": 1.0}, "C3H6OOH2-1O2": {"Altname": null, "Form": 2.0, "well_depth": 435.2, "diam": 4.662, "dipole": 2.7, "polar": 0.0, "rot_relax": 1.0}, "C3H5-1E-2OOH": {"Altname": null, "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C3KET12": {"Altname": null, "Form": 2.0, "well_depth": 464.2, "diam": 5.009, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C3KET13": {"Altname": null, "Form": 2.0, "well_depth": 464.2, "diam": 5.009, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C3H51-2,3OOH": {"Altname": null, "Form": 2.0, "well_depth": 549.655, "diam": 5.716, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C3H52-1,3OOH": {"Altname": null, "Form": 2.0, "well_depth": 549.655, "diam": 5.716, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C3H5O1-2OOH-3": {"Altname": "C3KET12", "Form": 2.0, "well_depth": 464.2, "diam": 5.009, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C3H5O1-3OOH-2": {"Altname": "C3KET12", "Form": 2.0, "well_depth": 464.2, "diam": 5.009, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C3H6O1-2": {"Altname": null, "Form": 2.0, "well_depth": 403.6, "diam": 4.968, "dipole": 2.0, "polar": 0.0, "rot_relax": 1.0}, "C3H6O1-3": {"Altname": null, "Form": 2.0, "well_depth": 403.6, "diam": 4.968, "dipole": 2.0, "polar": 0.0, "rot_relax": 1.0}, "C3H5-SOOH": {"Altname": null, "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C3H6": {"Altname": null, "Form": 2.0, "well_depth": 307.8, "diam": 4.14, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H5-A": {"Altname": null, "Form": 2.0, "well_depth": 316.0, "diam": 4.22, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H5-S": {"Altname": null, "Form": 2.0, "well_depth": 316.0, "diam": 4.22, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H5-T": {"Altname": null, "Form": 2.0, "well_depth": 316.0, "diam": 4.22, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CC3H6": {"Altname": "C3H6", "Form": 2.0, "well_depth": 307.8, "diam": 4.14, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH3CHCHO": {"Altname": null, "Form": 2.0, "well_depth": 387.86, "diam": 4.687, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "CH3CHCO": {"Altname": null, "Form": 2.0, "well_depth": 443.2, "diam": 4.12, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H5O": {"Altname": null, "Form": 2.0, "well_depth": 411.0, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH2CHOCH2": {"Altname": "C3H5O", "Form": 2.0, "well_depth": 411.0, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "AC4H7OOH": {"Altname": null, "Form": 2.0, "well_depth": 330.435, "diam": 5.741, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "AC3H5OOH": {"Altname": null, "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C3H4-P": {"Altname": null, "Form": 1.0, "well_depth": 324.8, "diam": 4.29, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H4-A": {"Altname": null, "Form": 1.0, "well_depth": 324.8, "diam": 4.29, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H3": {"Altname": null, "Form": 1.0, "well_depth": 324.8, "diam": 4.29, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CC3H4": {"Altname": null, "Form": 1.0, "well_depth": 252.0, "diam": 4.76, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H2": {"Altname": null, "Form": 2.0, "well_depth": 209.0, "diam": 4.1, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "H2CCC(S)": {"Altname": null, "Form": 2.0, "well_depth": 265.3, "diam": 3.721, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H2(S)": {"Altname": null, "Form": 2.0, "well_depth": 209.0, "diam": 4.1, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H2C": {"Altname": null, "Form": 1.0, "well_depth": 290.616, "diam": 4.368, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC3H4OH-1": {"Altname": "C3H5O", "Form": 2.0, "well_depth": 411.0, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC3H4OH-2": {"Altname": null, "Form": 2.0, "well_depth": 300.783, "diam": 5.377, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC3H4OH-3": {"Altname": "C3H5O", "Form": 2.0, "well_depth": 411.0, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC3H4OH": {"Altname": null, "Form": 2.0, "well_depth": 298.893, "diam": 5.345, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H3O": {"Altname": null, "Form": 2.0, "well_depth": 301.263, "diam": 5.055, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H3O2H": {"Altname": null, "Form": 2.0, "well_depth": 301.658, "diam": 5.31, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C2HCHO": {"Altname": null, "Form": 2.0, "well_depth": 343.033, "diam": 4.884, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "NC3H7OH": {"Altname": "NC3H7O", "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C3H6OH1-1": {"Altname": "NC3H7O", "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C3H6OH1-2": {"Altname": null, "Form": 2.0, "well_depth": 487.9, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H6OH1-3": {"Altname": null, "Form": 2.0, "well_depth": 487.9, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "NC3H7O": {"Altname": null, "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C3H5OH": {"Altname": null, "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "SC3H5OH": {"Altname": null, "Form": 2.0, "well_depth": 304.276, "diam": 5.45, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH2CCH2OH": {"Altname": null, "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "HOC3H6O2": {"Altname": "1109", "Form": 2.0, "well_depth": 487.9, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H7OH": {"Altname": "NC3H7O", "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C3H6OH2-1": {"Altname": null, "Form": 2.0, "well_depth": 487.9, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "TC3H6OH": {"Altname": null, "Form": 2.0, "well_depth": 459.5, "diam": 5.036, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "IC3H7O": {"Altname": null, "Form": 2.0, "well_depth": 459.5, "diam": 5.036, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "IC3H5OH": {"Altname": null, "Form": 2.0, "well_depth": 459.5, "diam": 5.036, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "CH3COCH3": {"Altname": null, "Form": 2.0, "well_depth": 435.5, "diam": 4.86, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH3COCH2": {"Altname": null, "Form": 2.0, "well_depth": 435.5, "diam": 4.86, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH3COCH2O2": {"Altname": null, "Form": 2.0, "well_depth": 502.115, "diam": 5.429, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "CH3COCH2O": {"Altname": null, "Form": 2.0, "well_depth": 447.639, "diam": 5.086, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C3KET21": {"Altname": null, "Form": 2.0, "well_depth": 464.2, "diam": 5.009, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C2H3CHO": {"Altname": null, "Form": 2.0, "well_depth": 428.8, "diam": 4.958, "dipole": 2.9, "polar": 0.0, "rot_relax": 1.0}, "C2H3CO": {"Altname": null, "Form": 2.0, "well_depth": 443.2, "diam": 4.12, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C2H5CHO": {"Altname": null, "Form": 2.0, "well_depth": 435.2, "diam": 4.662, "dipole": 2.7, "polar": 0.0, "rot_relax": 1.0}, "C2H5CO": {"Altname": null, "Form": 2.0, "well_depth": 424.6, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH2CH2CHO": {"Altname": null, "Form": 2.0, "well_depth": 424.6, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H10": {"Altname": null, "Form": 2.0, "well_depth": 350.9, "diam": 5.206, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC4H9": {"Altname": null, "Form": 2.0, "well_depth": 352.0, "diam": 5.24, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC4H9": {"Altname": null, "Form": 2.0, "well_depth": 352.0, "diam": 5.24, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC4H9O": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC4H9O": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC4H9O2": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC4H9O2": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC4H9O2H": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC4H9O2H": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH1-2": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH1-3": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH1-4": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH2-1": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH2-3": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH2-4": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8O1-2": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8O1-3": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8O1-4": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8O2-3": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH1-2O2": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH1-3O2": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH1-4O2": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH2-1O2": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH2-3O2": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H8OOH2-4O2": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-2,4OOH": {"Altname": "C4H8OOH1-2O2", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H72-1,3OOH": {"Altname": "C4H8OOH1-2O2", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H72-1,4OOH": {"Altname": "C4H8OOH1-2O2", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-2,3OOH": {"Altname": "C4H8OOH1-2O2", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H7O1-3OOH-4": {"Altname": "NC4KET12", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C4H7O1-3OOH-2": {"Altname": "NC4KET12", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C4H7O1-2OOH-4": {"Altname": "NC4KET12", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C4H7O1-4OOH-2": {"Altname": "NC4KET12", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C4H7O1-2OOH-3": {"Altname": "NC4KET12", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C4H7O2-3OOH-1": {"Altname": "NC4KET12", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C4H72-1OOH": {"Altname": "C4H8O2-3", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "NC4KET12": {"Altname": null, "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "NC4KET13": {"Altname": null, "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "NC4KET14": {"Altname": null, "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "NC4KET21": {"Altname": null, "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "NC4KET23": {"Altname": null, "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "NC4KET24": {"Altname": null, "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C4H71-3OOH": {"Altname": "C4H8O2-3", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-4OOH": {"Altname": "C4H8O2-3", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-3,4OOH": {"Altname": "C4H8OOH1-2O2", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H72-3,4OOH": {"Altname": "C4H8OOH1-2O2", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "HO2CH2CHO": {"Altname": "O2CH2CHO", "Form": 2.0, "well_depth": 275.049, "diam": 5.428, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-O": {"Altname": "IC3H7CO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H10": {"Altname": null, "Form": 2.0, "well_depth": 335.7, "diam": 5.208, "dipole": 0.1, "polar": 0.0, "rot_relax": 1.0}, "IC4H9": {"Altname": null, "Form": 2.0, "well_depth": 352.0, "diam": 5.24, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "TC4H9": {"Altname": null, "Form": 2.0, "well_depth": 352.0, "diam": 5.24, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "TC4H9O": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H9O": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H7CHO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC4H7OH-I": {"Altname": "IC4H8O", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H6OH": {"Altname": null, "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "IC3H7CO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H6CHO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "TC3H6CHO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H5CHO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H6CO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H5CO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H4CHO-A": {"Altname": "IC3H5CO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H8O": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "TC3H6O2CHO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H5O2HCHO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "TC3H6O2HCO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "TC3H6OCHO": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H9O2": {"Altname": null, "Form": 2.0, "well_depth": 502.252, "diam": 5.43, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "TC4H9O2": {"Altname": null, "Form": 2.0, "well_depth": 502.252, "diam": 5.43, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IC4H8O2H-I": {"Altname": null, "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "IC4H8O2H-T": {"Altname": null, "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "TC4H8O2H-I": {"Altname": null, "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "CC4H8O": {"Altname": null, "Form": 2.0, "well_depth": 444.197, "diam": 5.063, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IC4H8OOH-IO2": {"Altname": null, "Form": 2.0, "well_depth": 600.078, "diam": 6.009, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IC4H8OOH-TO2": {"Altname": null, "Form": 2.0, "well_depth": 600.078, "diam": 6.009, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "TC4H8OOH-IO2": {"Altname": null, "Form": 2.0, "well_depth": 600.078, "diam": 6.009, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IC4KETII": {"Altname": null, "Form": 2.0, "well_depth": 549.655, "diam": 5.716, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IC4KETIT": {"Altname": null, "Form": 2.0, "well_depth": 549.655, "diam": 5.716, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "TIC4H7Q2-I": {"Altname": null, "Form": 2.0, "well_depth": 600.078, "diam": 6.009, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IIC4H7Q2-I": {"Altname": null, "Form": 2.0, "well_depth": 600.078, "diam": 6.009, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IIC4H7Q2-T": {"Altname": null, "Form": 2.0, "well_depth": 600.078, "diam": 6.009, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IC4H7OOH": {"Altname": null, "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H9O2H": {"Altname": null, "Form": 2.0, "well_depth": 505.54, "diam": 5.45, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "TC4H9O2H": {"Altname": null, "Form": 2.0, "well_depth": 505.54, "diam": 5.45, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IC4H8": {"Altname": null, "Form": 2.0, "well_depth": 344.5, "diam": 5.089, "dipole": 0.5, "polar": 0.0, "rot_relax": 1.0}, "IC4H7": {"Altname": null, "Form": 2.0, "well_depth": 355.0, "diam": 4.65, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H7-I1": {"Altname": null, "Form": 2.0, "well_depth": 380.022, "diam": 4.633, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IC4H7O2": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H6OOH-I": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CCYCCOOC-T1": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C2CYCOOC-I1": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CCYCCOOC-I2": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H5OOCH2": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CHOIC3H6O": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CVCYCCOC": {"Altname": "IC3H6CO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CCYC2OCO": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CCYCCO-T1": {"Altname": "C3H5O", "Form": 2.0, "well_depth": 411.0, "diam": 4.82, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H7O": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H5OCH2": {"Altname": "C4H7O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H7OOCH3": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "IC4H7OOIC4H7": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C4H8-1": {"Altname": null, "Form": 2.0, "well_depth": 355.0, "diam": 4.65, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-1": {"Altname": null, "Form": 2.0, "well_depth": 357.1, "diam": 4.72, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-2": {"Altname": null, "Form": 2.0, "well_depth": 357.1, "diam": 4.72, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-3": {"Altname": null, "Form": 2.0, "well_depth": 357.1, "diam": 4.72, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-4": {"Altname": null, "Form": 2.0, "well_depth": 357.1, "diam": 4.72, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H6-1": {"Altname": "C4H6", "Form": 2.0, "well_depth": 357.0, "diam": 4.72, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC3H5CHO": {"Altname": null, "Form": 2.0, "well_depth": 464.2, "diam": 5.009, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "SC3H5CO": {"Altname": null, "Form": 2.0, "well_depth": 464.2, "diam": 5.009, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "AC3H5OCH2": {"Altname": "SC3H5OCH2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C4H7O1-4": {"Altname": "IC3H7CO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H7O2-1": {"Altname": "IC3H7CO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC3H5OCH2-1": {"Altname": "C4H7O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-1O2": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-2O2": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-4O2": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H61-3OOH4": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H6O1-3OOH4": {"Altname": "TC3H6O2CHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H6O2-1OOH4": {"Altname": "TC3H6O2CHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-3OOCH3": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C4H72-1OOCH3": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C4H8-2": {"Altname": null, "Form": 2.0, "well_depth": 355.0, "diam": 4.65, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H72-2": {"Altname": null, "Form": 2.0, "well_depth": 357.1, "diam": 4.72, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H72-2O2": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC4H8OH-1": {"Altname": "PC4H9O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC4H8OH-2": {"Altname": "PC4H9O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC4H8OH-3": {"Altname": "PC4H9O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SC4H8OH-1O2": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "SC4H8OH-3O2": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "PQC4H8OS": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "PQC4H7OHS-3": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "SQC4H7OHS-4": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "SQC4H8OS": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "NC4KET12OH": {"Altname": "IC4H7OOH", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "NC4KET23OH": {"Altname": "IC4H7OOH", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH3COCOHCH3": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH3COHCO": {"Altname": "C3H3O2H", "Form": 2.0, "well_depth": 301.658, "diam": 5.31, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH2COHCHO": {"Altname": "C3H3O2H", "Form": 2.0, "well_depth": 301.658, "diam": 5.31, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-3OH": {"Altname": "IC4H8O", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H72-2OH": {"Altname": "IC4H8O", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H63,1-3OH": {"Altname": "C4H7O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CCY(COCC)OH": {"Altname": "IC4H7OOH", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SQC4H7OHS-4O2": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C4H7O2-1,3OOH": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "NC4KET13OH-2": {"Altname": "IC4H6Q2-II", "Form": 2.0, "well_depth": 597.176, "diam": 5.992, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C4H6OHOOH1-2-3": {"Altname": "NC4KET12", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "SC2H2OH": {"Altname": "CH3CO", "Form": 2.0, "well_depth": 436.0, "diam": 3.97, "dipole": 0.0, "polar": 0.0, "rot_relax": 2.0}, "CH2COHCO": {"Altname": "HOC*CCJ*O", "Form": 2.0, "well_depth": 435.2, "diam": 4.662, "dipole": 2.7, "polar": 0.0, "rot_relax": 1.0}, "PC4H8OH-1": {"Altname": "PC4H9O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC4H8OH-2": {"Altname": "PC4H9O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC4H8OH-3": {"Altname": "PC4H9O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC4H8OH-4": {"Altname": "PC4H9O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "PC4H8OH-2O2": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "SQC4H8OP": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "SQC4H7OHP-4": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "CY(CCCO)COH": {"Altname": "IC4H7OOH", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "NC4KET21OH": {"Altname": "IC4H7OOH", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C2H5CHOHCO": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C2H4COCH2OH": {"Altname": "TC3H6OCHO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH3COCHO": {"Altname": "C3H3O2H", "Form": 2.0, "well_depth": 301.658, "diam": 5.31, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-1OH": {"Altname": "IC4H8O", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-4OH": {"Altname": "IC4H8O", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H72-1OH": {"Altname": "IC4H8O", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H71-2OH": {"Altname": "IC4H8O", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H63,1-2OH": {"Altname": "C4H7O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H64,2-1OH": {"Altname": "IC3H7CO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H63,1-1OH": {"Altname": "C4H7O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H5OH-13": {"Altname": "IC3H6CO", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "SQC4H7OHP-4O2": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "PQC4H7OHS-3O2": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "NC4KET24OH-1": {"Altname": "IC4H6Q2-II", "Form": 2.0, "well_depth": 597.176, "diam": 5.992, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "NC4KET24OH-3": {"Altname": "IC4H6Q2-II", "Form": 2.0, "well_depth": 597.176, "diam": 5.992, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C4H6OHOOH1-4-3": {"Altname": "NC4KET12C4H7O1-3OOH-4", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C4H6OHOOH2-2-1": {"Altname": "NC4KET12", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "C4H6OHOOH1-3-4": {"Altname": "NC4KET12", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "HOCH2COCH2": {"Altname": "CH3COCH2O", "Form": 2.0, "well_depth": 447.639, "diam": 5.086, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "HOCH2CHO": {"Altname": "CH3OCHO", "Form": 2.0, "well_depth": 395.0, "diam": 4.037, "dipole": 1.3, "polar": 0.0, "rot_relax": 1.0}, "HOCH2CO": {"Altname": "CH3CO2", "Form": 2.0, "well_depth": 436.0, "diam": 3.97, "dipole": 0.0, "polar": 0.0, "rot_relax": 2.0}, "HOCHCHO": {"Altname": "CH3CO2", "Form": 2.0, "well_depth": 436.0, "diam": 3.97, "dipole": 0.0, "polar": 0.0, "rot_relax": 2.0}, "CH3COCHOH": {"Altname": "CH3COCH2O", "Form": 2.0, "well_depth": 447.639, "diam": 5.086, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IC4H8OH-IT": {"Altname": "PC4H9O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC4H8OH-TI": {"Altname": "PC4H9O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "TQJC4H8OH": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "TQC4H7OHI": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "IQJC4H8OH": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "TQC4H8OI": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "QC4H7OHP": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "IQC4H8OT": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "IQC4H7OHT": {"Altname": "C4H8OH-1O2", "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "IC4H7OH": {"Altname": null, "Form": 2.0, "well_depth": 502.2, "diam": 5.356, "dipole": 1.8, "polar": 0.0, "rot_relax": 1.0}, "IC4H8OH": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CCY(CCOC)OH": {"Altname": "IC4H7OOH", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CCY(CCO)COH": {"Altname": "IC4H7OOH", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C2CY(COC)OH": {"Altname": "IC4H7OOH", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H6OHCHO": {"Altname": "IC4H7OOH", "Form": 2.0, "well_depth": 436.4, "diam": 5.352, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CH2COHCH2OOH": {"Altname": "C3KET12", "Form": 2.0, "well_depth": 464.2, "diam": 5.009, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "TQC4H7OHIO2": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "TQC4H7OHTO2": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "TQC4H7OHIQ-I": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "TQC4H7OHIQ-P": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "IQC4H7OHTO2": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "IQC4H8OTQ-I": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "IQC4H7OHTQ-P": {"Altname": "C5H10OOH1-2O2", "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "CH2CQCOHQ": {"Altname": "C4H8OOH1-2O2", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "IC3H5COHQ": {"Altname": "NC4KET12", "Form": 2.0, "well_depth": 476.0, "diam": 5.778, "dipole": 2.6, "polar": 0.0, "rot_relax": 1.0}, "IC3H5Q": {"Altname": "AC3H5OOH", "Form": 2.0, "well_depth": 481.5, "diam": 4.997, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "COHQCYC(COC)": {"Altname": "IC4H6Q2-II", "Form": 2.0, "well_depth": 597.176, "diam": 5.992, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "QCYC(CCOC)OH": {"Altname": "IC4H6Q2-II", "Form": 2.0, "well_depth": 597.176, "diam": 5.992, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "HOCOCQ(CH3)2": {"Altname": "IC4H6Q2-II", "Form": 2.0, "well_depth": 597.176, "diam": 5.992, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "CHOC(CH3)OHCH2Q": {"Altname": "IC4H6Q2-II", "Form": 2.0, "well_depth": 597.176, "diam": 5.992, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "CO(CH2OOH)2": {"Altname": "C4H8OOH1-2O2", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H6": {"Altname": null, "Form": 2.0, "well_depth": 357.0, "diam": 4.72, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H5-I": {"Altname": null, "Form": 2.0, "well_depth": 357.0, "diam": 5.18, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H5-N": {"Altname": null, "Form": 2.0, "well_depth": 357.0, "diam": 5.18, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H5-2": {"Altname": null, "Form": 2.0, "well_depth": 357.0, "diam": 5.18, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H4": {"Altname": null, "Form": 2.0, "well_depth": 357.0, "diam": 5.18, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H3-I": {"Altname": null, "Form": 2.0, "well_depth": 357.0, "diam": 5.18, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H3-N": {"Altname": null, "Form": 2.0, "well_depth": 357.0, "diam": 5.18, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H2": {"Altname": null, "Form": 1.0, "well_depth": 357.0, "diam": 4.72, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CHCC(CH2)CHCH2": {"Altname": "C6H6", "Form": 2.0, "well_depth": 468.5, "diam": 5.23, "dipole": 0.0, "polar": 10.3, "rot_relax": 1.0}, "CH2CHCHCHCCH": {"Altname": "C6H6", "Form": 2.0, "well_depth": 468.5, "diam": 5.23, "dipole": 0.0, "polar": 10.3, "rot_relax": 1.0}, "CH2CHCHCHO": {"Altname": null, "Form": 1.0, "well_depth": 357.0, "diam": 5.18, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "NC4H5O2": {"Altname": "OC4H5O", "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 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"rot_relax": 0.0}, "C6H5OOH": {"Altname": null, "Form": 2.0, "well_depth": 464.8, "diam": 5.29, "dipole": 0.0, "polar": 10.32, "rot_relax": 0.0}, "C6H5OH": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H5O": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H4OH": {"Altname": null, "Form": 2.0, "well_depth": 464.8, "diam": 5.29, "dipole": 0.0, "polar": 10.32, "rot_relax": 0.0}, "OC6H4OH": {"Altname": null, "Form": 2.0, "well_depth": 621.1, "diam": 5.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "O-C6H4O2": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "P-C6H4O2": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "O-OC6H5OJ": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "P-OC6H5OJ": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "P-C6H3O2": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C5H6": {"Altname": null, "Form": 1.0, "well_depth": 408.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C5H5": {"Altname": null, "Form": 1.0, "well_depth": 408.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C5H6-L": {"Altname": null, "Form": 2.0, "well_depth": 408.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C#CCVCCJ": {"Altname": null, "Form": 2.0, "well_depth": 408.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C5H7": {"Altname": null, "Form": 2.0, "well_depth": 408.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CVCCJCVC": {"Altname": null, "Form": 2.0, "well_depth": 408.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CVCCVCCJ": {"Altname": null, "Form": 2.0, "well_depth": 408.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CVCCJCVCOH": {"Altname": null, "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "CVCCVCCOH": {"Altname": null, "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C5H5OH": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C5H5O": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C5H4OH": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C5H4O": {"Altname": null, "Form": 2.0, "well_depth": 450.0, "diam": 5.5, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C5H3O": {"Altname": null, "Form": 2.0, "well_depth": 511.398, "diam": 5.357, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "CJVCCVCCVO": {"Altname": null, "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "CVCCVCCJVO": {"Altname": null, "Form": 2.0, "well_depth": 523.2, "diam": 5.664, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "CJVCCVO": {"Altname": "C2H3CO", "Form": 2.0, "well_depth": 443.2, "diam": 4.12, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "HOCVCCVO": {"Altname": null, "Form": 2.0, "well_depth": 435.2, "diam": 4.662, "dipole": 2.7, "polar": 0.0, "rot_relax": 1.0}, "HOCVCCJVO": {"Altname": null, "Form": 2.0, "well_depth": 435.2, "diam": 4.662, "dipole": 2.7, "polar": 0.0, "rot_relax": 1.0}, "OC5H7O": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "OC4H6O": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "OC4H5O": {"Altname": null, "Form": 2.0, "well_depth": 496.0, "diam": 5.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "O2CCHOOJ": {"Altname": null, "Form": 2.0, "well_depth": 470.6, "diam": 4.41, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.5}, "C6H5CH3": {"Altname": null, "Form": 2.0, "well_depth": 495.3, "diam": 5.68, "dipole": 0.43, "polar": 12.3, "rot_relax": 1.0}, "C6H5CH2": {"Altname": null, "Form": 2.0, "well_depth": 495.3, "diam": 5.68, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H4CH3": {"Altname": null, "Form": 2.0, "well_depth": 495.3, "diam": 5.68, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C7H6": {"Altname": null, "Form": 2.0, "well_depth": 444.642, "diam": 5.89, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C7H5": {"Altname": null, "Form": 2.0, "well_depth": 458.333, "diam": 6.04, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "BZCOOH": {"Altname": null, "Form": 2.0, "well_depth": 572.0, "diam": 5.82, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "O-O2C6H4CH3": {"Altname": null, "Form": 2.0, "well_depth": 543.492, "diam": 7.05, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "OC6H4CH2": {"Altname": null, "Form": 2.0, "well_depth": 510.841, "diam": 6.26, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C6H5CH2OO": {"Altname": null, "Form": 2.0, "well_depth": 572.0, "diam": 5.82, "dipole": 1.7, "polar": 0.0, "rot_relax": 1.0}, "C6H5CHO": {"Altname": null, "Form": 2.0, "well_depth": 622.4, "diam": 5.53, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H5CO": {"Altname": null, "Form": 2.0, "well_depth": 622.4, "diam": 5.53, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "HOC6H4CH3": {"Altname": null, "Form": 2.0, "well_depth": 621.1, "diam": 5.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "HOC6H4CH2": {"Altname": null, "Form": 2.0, "well_depth": 621.1, "diam": 5.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "OC6H4CH3": {"Altname": null, "Form": 2.0, "well_depth": 621.1, "diam": 5.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "OCH3C6H4O": {"Altname": "HOC6H4CH2O", "Form": 2.0, "well_depth": 621.1, "diam": 5.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "HOC6H4CH2O": {"Altname": null, "Form": 2.0, "well_depth": 621.1, "diam": 5.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "HOC6H4CHO": {"Altname": null, "Form": 2.0, "well_depth": 621.1, "diam": 5.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "HOC6H4CO": {"Altname": null, "Form": 2.0, "well_depth": 621.1, "diam": 5.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "HOC6H4CH2OOH": {"Altname": null, "Form": 2.0, "well_depth": 621.1, "diam": 5.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "HOC6H4CH2OO": {"Altname": null, "Form": 2.0, "well_depth": 621.1, "diam": 5.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H5CH2OH": {"Altname": null, "Form": 2.0, "well_depth": 622.4, "diam": 5.53, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H5CHOH": {"Altname": null, "Form": 2.0, "well_depth": 622.4, "diam": 5.53, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H5CH2O": {"Altname": null, "Form": 2.0, "well_depth": 622.4, "diam": 5.53, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H5C2H5": {"Altname": null, "Form": 2.0, "well_depth": 523.6, "diam": 5.96, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H5CHCH3": {"Altname": null, "Form": 2.0, "well_depth": 523.6, "diam": 5.96, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H5CH2CH2": {"Altname": null, "Form": 2.0, "well_depth": 485.0, "diam": 5.425, "dipole": 0.4, "polar": 0.0, "rot_relax": 1.0}, "C6H5CHOOCH3": {"Altname": null, "Form": 2.0, "well_depth": 557.267, "diam": 7.41, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C6H5CH2CH2OO": {"Altname": null, "Form": 2.0, "well_depth": 554.354, "diam": 7.38, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C6H5C2H3": {"Altname": null, "Form": 2.0, "well_depth": 546.2, "diam": 6.0, "dipole": 0.13, "polar": 15.0, "rot_relax": 1.0}, "C6H5CCH2": {"Altname": null, "Form": 2.0, "well_depth": 546.2, "diam": 6.0, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C6H5CHCH": {"Altname": null, "Form": 2.0, "well_depth": 546.2, "diam": 6.0, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H14": {"Altname": null, "Form": 2.0, "well_depth": 783.8, "diam": 6.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H13": {"Altname": null, "Form": 2.0, "well_depth": 783.8, "diam": 6.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H12": {"Altname": null, "Form": 2.0, "well_depth": 772.0, "diam": 6.96, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H11": {"Altname": null, "Form": 2.0, "well_depth": 772.0, "diam": 6.96, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H13OOH": {"Altname": null, "Form": 2.0, "well_depth": 783.8, "diam": 6.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H13OO": {"Altname": null, "Form": 2.0, "well_depth": 783.8, "diam": 6.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H12OOH": {"Altname": null, "Form": 2.0, "well_depth": 783.8, "diam": 6.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H12O2H-1O2": {"Altname": null, "Form": 2.0, "well_depth": 783.8, "diam": 6.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H11O-1O2H": {"Altname": null, "Form": 2.0, "well_depth": 783.8, "diam": 6.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H13O": {"Altname": null, "Form": 2.0, "well_depth": 783.8, "diam": 6.64, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C14H12O": {"Altname": null, "Form": 2.0, "well_depth": 672.946, "diam": 8.37, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "IND": {"Altname": null, "Form": 2.0, "well_depth": 521.551, "diam": 6.78, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C10H9": {"Altname": null, "Form": 2.0, "well_depth": 546.732, "diam": 7.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C10H10": {"Altname": null, "Form": 2.0, "well_depth": 546.732, "diam": 7.2, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C5H5CH3": {"Altname": null, "Form": 2.0, "well_depth": 424.384, "diam": 5.89, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C9H7": {"Altname": null, "Form": 2.0, "well_depth": 521.551, "diam": 6.78, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C9H6O": {"Altname": null, "Form": 2.0, "well_depth": 587.935, "diam": 6.98, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "NAPH": {"Altname": null, "Form": 2.0, "well_depth": 548.044, "diam": 6.97, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "NAPH-": {"Altname": null, "Form": 2.0, "well_depth": 548.044, "diam": 6.97, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "NAPHV": {"Altname": null, "Form": 2.0, "well_depth": 609.28, "diam": 7.59, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "NAPHO": {"Altname": null, "Form": 2.0, "well_depth": 609.28, "diam": 7.59, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "FLUORENE": {"Altname": null, "Form": 2.0, "well_depth": 624.428, "diam": 6.26, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C14H10": {"Altname": null, "Form": 2.0, "well_depth": 451.403, "diam": 7.99, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C16H10": {"Altname": null, "Form": 2.0, "well_depth": 485.773, "diam": 8.4, "dipole": 0.0, "polar": 0.0, "rot_relax": 0.0}, "C3H3CH2OOH": {"Altname": "1,3-butadiene", "Form": 2.0, "well_depth": 472.749, "diam": 5.501, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H3CH2O": {"Altname": null, "Form": 2.0, "well_depth": 536.125, "diam": 5.088, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C3H3CHO": {"Altname": null, "Form": 2.0, "well_depth": 536.125, "diam": 5.088, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C2H3CHOHCH2O": {"Altname": null, "Form": 2.0, "well_depth": 545.78, "diam": 5.311, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H51,3OH2": {"Altname": null, "Form": 2.0, "well_depth": 457.513, "diam": 5.165, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C2H3CHOHCHO": {"Altname": null, "Form": 2.0, "well_depth": 442.403, "diam": 5.963, "dipole": 0.0, "polar": 0.0, "rot_relax": 1.0}, "C4H5OH1-4OOH": {"Altname": null, "Form": 2.0, "well_depth": 604.71, "diam": 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7.47606975e-10, -4.2960836e-14, -14683.2088, -33.6825807], "model": "NASA7"}, "C3H6OH1-2": {"Cp": [298.0, 1000.0, 3000.0, 15.7941557, -0.0610763187, 0.000199166967, -1.99047331e-07, 6.64970235e-11, -10567.9468, -38.3995345, 20.0388719, -0.00818078581, 1.5012071e-05, -6.40300256e-09, 8.67342181e-13, -14910.6099, -76.3464356], "model": "NASA7"}, "C3H6OH1-3": {"Cp": [300.0, 1398.0, 5000.0, 2.53522975, 0.0342021055, -2.11910432e-05, 6.89184707e-09, -9.29272171e-13, -7899.69902, 15.5562988, 11.2537269, 0.0148842686, -5.00124819e-06, 7.67003856e-10, -4.41140957e-14, -11052.2005, -31.6714219], "model": "NASA7"}, "NC3H7O": {"Cp": [298.0, 1000.0, 3000.0, 1.28341389, 0.0357266194, -1.7696995e-05, 1.14202428e-09, 1.40747781e-12, -5882.59252, 20.9279823, 3.71165592, 0.0298888018, -1.50650214e-05, 3.68054175e-09, -3.53437601e-13, -6551.69654, 8.27016784], "model": "NASA7"}, "C3H5OH": {"Cp": [200.0, 1000.0, 6000.0, 3.15011905, 0.0128538274, 4.28438434e-05, -6.67818707e-08, 2.80408237e-11, 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0.0356240446, -2.51973981e-05, 9.75845743e-09, -1.50573587e-12, -9874.0265, 13.9971825, 6.11414519, 0.024212332, -1.12344701e-05, 2.55293277e-09, -2.30128197e-13, -10654.9215, -2.82887333], "model": "NASA7"}, "TC3H6OH": {"Cp": [298.0, 1000.0, 3000.0, 2.99938588, 0.029735307, -9.35910881e-06, -5.36183826e-09, 3.4781024e-12, -13656.8896, 12.0700186, 4.81183516, 0.0271078205, -1.33205888e-05, 3.1957075e-09, -3.02926183e-13, -14218.2831, 2.25103088], "model": "NASA7"}, "IC3H7O": {"Cp": [298.0, 1000.0, 3000.0, 0.986554785, 0.0380805183, -2.31947108e-05, 5.9982404e-09, -9.14298018e-14, -7164.3567, 20.5454298, 3.97830632, 0.0291186145, -1.44865221e-05, 3.50229508e-09, -3.33520915e-13, -7905.48136, 5.3794563], "model": "NASA7"}, "IC3H5OH": {"Cp": [300.0, 1374.0, 5000.0, 1.58376391, 0.0316215366, -1.73664942e-05, 4.18927663e-09, -2.7989962e-13, -21264.3496, 18.8313766, 10.7381025, 0.0131698194, -4.41529622e-06, 6.77009837e-10, -3.89608901e-14, -24729.8321, -31.363405], "model": "NASA7"}, 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6.40149366e-10, -3.72127562e-14, -41550.2347, -60.90971], "model": "NASA7"}, "CH3COCH3": {"Cp": [300.0, 1394.0, 5000.0, 2.20008426, 0.0274019559, -1.31342003e-05, 2.57150371e-09, -6.21509091e-14, -27993.3966, 15.5883508, 8.87619308, 0.0145700263, -4.8482328e-06, 7.38614777e-10, -4.22831194e-14, -30604.6242, -21.2730484], "model": "NASA7"}, "CH3COCH2": {"Cp": [300.0, 1387.0, 5000.0, 1.13381826, 0.0325095045, -2.10424651e-05, 6.64421151e-09, -8.12618901e-13, -6048.68361, 21.7158655, 10.9524298, 0.0111458668, -3.86262877e-06, 6.05088857e-10, -3.53293362e-14, -9608.33727, -31.5622776], "model": "NASA7"}, "C2H3CHO": {"Cp": [298.0, 1000.0, 3000.0, 1.30858881, 0.0290665687, -1.85267312e-05, 5.10575873e-09, -3.1235785e-13, -9341.39504, 17.5831373, 4.27745325, 0.0208995067, -1.10621906e-05, 2.80392911e-09, -2.76871274e-13, -10146.5486, 2.26814496], "model": "NASA7"}, "C2H3CO": {"Cp": [298.0, 1000.0, 3000.0, 1.67431562, 0.0253644779, -1.74055511e-05, 5.43382478e-09, -4.34352533e-13, 10223.7218, 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0.0192120108, -6.64681122e-06, 1.03988604e-09, -6.06552757e-14, -55729.2725, -51.9147488], "model": "NASA7"}, "CH3COCOHCH3": {"Cp": [300.0, 1395.0, 5000.0, -1.65607674, 0.0608409982, -4.8521544e-05, 1.97794382e-08, -3.26305133e-12, -30515.8227, 35.8911868, 16.5624631, 0.0159037217, -5.54554278e-06, 8.72274939e-10, -5.10735025e-14, -36588.4887, -61.083392], "model": "NASA7"}, "CH3COHCO": {"Cp": [300.0, 1410.0, 5000.0, 0.825855205, 0.0522217422, -5.66992291e-05, 2.94815948e-08, -5.81714952e-12, -35015.7127, 17.8488731, 15.0110709, 0.00726697312, -2.42872486e-06, 3.71246886e-10, -2.13068531e-14, -38735.4954, -54.100554], "model": "NASA7"}, "CH2COHCHO": {"Cp": [300.0, 1406.0, 5000.0, 0.0576639663, 0.0516589617, -5.49773816e-05, 2.83487148e-08, -5.57464421e-12, -33959.4513, 22.9757289, 14.0200417, 0.00795092924, -2.63244516e-06, 3.99896432e-10, -2.2853812e-14, -37680.8145, -48.045799], "model": "NASA7"}, "C4H71-3OH": {"Cp": [300.0, 1385.0, 5000.0, 0.0716707858, 0.0504772909, -3.50356983e-05, 1.30539199e-08, -2.07783174e-12, -21698.3717, 28.2072724, 14.2401634, 0.0183038695, -6.37213444e-06, 1.0009974e-09, -5.85511411e-14, -26818.396, -48.3949774], "model": "NASA7"}, "C4H72-2OH": {"Cp": [300.0, 1402.0, 5000.0, -0.184033728, 0.0590104774, -5.22507028e-05, 2.44135801e-08, -4.56518659e-12, -26671.796, 23.6075268, 14.9411596, 0.0166289929, -5.55627511e-06, 8.48898851e-10, -4.8694939e-14, -31249.6851, -55.173087], "model": "NASA7"}, "C4H63,1-3OH": {"Cp": [300.0, 1380.0, 5000.0, 0.596155469, 0.0435893351, -2.65985265e-05, 8.14250262e-09, -1.02316366e-12, -5056.30797, 24.3923636, 13.3633351, 0.0170222596, -5.9524519e-06, 9.37896168e-10, -5.49767305e-14, -9901.13178, -45.4753472], "model": "NASA7"}, "CCY(COCC)OH": {"Cp": [300.0, 1328.0, 5000.0, -6.13260697, 0.0775376285, -6.73066149e-05, 2.82841623e-08, -4.65470382e-12, -35782.5027, 55.3089299, 10.3816782, 0.025305269, -1.00511826e-05, 1.6820474e-09, -9.58092966e-14, -39434.8914, -27.3522595], "model": "NASA7"}, 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7.05319574e-10, -4.05174739e-14, -42634.8237, -95.1979841], "model": "NASA7"}, "CH2C(OH)CO": {"Cp": [100.0, 1003.99, 5000.0, 1.79427943, 0.040621985, -2.75020457e-05, 3.77243996e-10, 4.12301414e-12, -34539.4798, 15.0214894, 14.2808543, 0.00753017741, -2.94622038e-06, 5.95509729e-10, -4.58431383e-14, -37886.2209, -49.4493599], "model": "NASA7"}, "CH2(OH)OCH2": {"Cp": [100.0, 1612.24, 5000.0, 0.930847624, 0.051876407, -5.23342423e-05, 2.50763608e-08, -4.45101035e-12, -13477.4521, 20.1548877, 16.0621297, 0.00502425259, -8.09171812e-08, -1.12692581e-10, 1.03557069e-14, -17146.3701, -56.3189208], "model": "NASA7"}, "CH2CR(OH)CO": {"Cp": [300.0, 1412.0, 5000.0, 0.330460837, 0.049106229, -5.55140679e-05, 2.96008046e-08, -5.92267873e-12, -15520.263, 22.5785056, 13.2515931, 0.00610416382, -1.91692965e-06, 2.80383036e-10, -1.55884699e-14, -18685.9942, -42.2022043], "model": "NASA7"}, "ET12IC4-1OOH": {"Cp": [100.0, 1314.47, 5000.0, 0.023633149, 0.0771610261, -7.77517123e-05, 4.21338017e-08, -8.82239593e-12, -27933.5986, 24.499791, 15.6469444, 0.0215259318, -5.02933136e-06, 5.67225321e-10, -2.60505514e-14, -31341.7403, -52.4862284], "model": "NASA7"}, "SQC4H7OHS-3": {"Cp": [300.0, 1393.0, 5000.0, 4.26637136, 0.0600637174, -4.66958173e-05, 1.91294366e-08, -3.20884256e-12, -29322.8197, 10.7586574, 20.6467109, 0.0191720112, -6.83072275e-06, 1.15548224e-09, -7.23093312e-14, -34756.3286, -76.2958114], "model": "NASA7"}, "CCY(COC)OHC": {"Cp": [300.0, 1395.0, 5000.0, -4.92114422, 0.091544304, -9.60919177e-05, 5.05467788e-08, -1.02505979e-11, -41686.6566, 42.4555544, 18.589185, 0.0181778184, -6.2699746e-06, 9.7874828e-10, -5.69946149e-14, -48218.7066, -77.6227659], "model": "NASA7"}, "SC4H8OH-1": {"Cp": [300.0, 1405.0, 5000.0, 1.78282749, 0.0518872497, -3.89600849e-05, 1.57818686e-08, -2.64133852e-12, -12830.5019, 20.0308244, 15.0517242, 0.0184748629, -6.15327969e-06, 9.38017339e-10, -5.37214281e-14, -17197.4443, -50.3733848], "model": "NASA7"}, "SC4H8OH-2": {"Cp": [300.0, 1395.0, 5000.0, 1.96361387, 0.0477673982, -3.11652479e-05, 1.07498897e-08, -1.54834306e-12, -16500.033, 19.7286755, 14.5514712, 0.0192722299, -6.50955109e-06, 1.00200009e-09, -5.77830714e-14, -20990.9632, -48.2454428], "model": "NASA7"}, "SC4H8OH-3": {"Cp": [300.0, 1403.0, 5000.0, 1.93185505, 0.0479506224, -3.23719194e-05, 1.16232751e-08, -1.72498918e-12, -13943.137, 20.3995003, 14.245378, 0.0189491, -6.27403528e-06, 9.52692609e-10, -5.44157896e-14, -18180.3642, -45.6206494], "model": "NASA7"}, "PC4H8OH-2O2": {"Cp": [300.0, 1407.0, 5000.0, 1.977809, 0.0625692373, -4.7673021e-05, 1.90561997e-08, -3.10596799e-12, -30962.5439, 23.5880251, 19.0513685, 0.0200624257, -6.76970282e-06, 1.04136985e-09, -6.00271674e-14, -36596.6815, -67.1202048], "model": "NASA7"}, "SQC4H8OP": {"Cp": [300.0, 1421.0, 5000.0, 3.92966105, 0.0567740736, -3.88077818e-05, 1.31554059e-08, -1.72822772e-12, -21464.9445, 13.2313419, 20.2482113, 0.0190403096, -6.41818812e-06, 9.86791658e-10, -5.68666168e-14, -27068.6177, -74.3734665], "model": "NASA7"}, "SQC4H7OHP-4": {"Cp": [300.0, 1410.0, 5000.0, 1.44518283, 0.0652944119, -5.1038013e-05, 2.0523891e-08, -3.32050656e-12, -22905.989, 27.8546218, 19.9207495, 0.0189422879, -6.39488327e-06, 9.84231371e-10, -5.67606301e-14, -28925.0584, -70.1061222], "model": "NASA7"}, "SQC4H7OHP-1": {"Cp": [300.0, 1405.0, 5000.0, 2.74422361, 0.0619167385, -4.85718275e-05, 2.0066351e-08, -3.37930572e-12, -26218.8841, 19.9607477, 19.544465, 0.0192958888, -6.52157752e-06, 1.00427876e-09, -5.79320306e-14, -31698.1728, -69.0384887], "model": "NASA7"}, "SQC4H7OHP-1O2": {"Cp": [300.0, 1392.0, 5000.0, 1.73080655, 0.0858500433, -7.79151017e-05, 3.51344419e-08, -6.27429974e-12, -46110.5052, 25.1155945, 25.472637, 0.0205185026, -8.4152683e-06, 1.52273633e-09, -9.75174784e-14, -53256.7174, -98.7099937], "model": "NASA7"}, "SQC4H7OHP-3": {"Cp": [300.0, 1392.0, 5000.0, 3.3402347, 0.0544619807, -3.12715402e-05, 7.17274939e-09, -2.69672003e-13, -24498.0548, 19.399654, 20.7595185, 0.0188069226, -6.47841669e-06, 1.01104138e-09, -5.8885562e-14, -30929.5712, -75.7363142], "model": "NASA7"}, "PQC4H7OHS-2": {"Cp": [300.0, 1402.0, 5000.0, 2.02224208, 0.063950271, -5.07314681e-05, 2.1178851e-08, -3.6050872e-12, -26082.0538, 23.7357937, 19.5398919, 0.0194356555, -6.59988244e-06, 1.01963939e-09, -5.89535445e-14, -31801.6164, -69.0612879], "model": "NASA7"}, "PQC4H7OHS-2O2": {"Cp": [300.0, 1410.0, 5000.0, 3.34463336, 0.0755529091, -6.31201174e-05, 2.70474386e-08, -4.63846722e-12, -46888.6499, 16.519141, 24.7481881, 0.0196881962, -6.68961167e-06, 1.03404275e-09, -5.981224e-14, -53663.092, -96.2281495], "model": "NASA7"}, "PQC4H7OHS-4": {"Cp": [300.0, 1406.0, 5000.0, 1.05580624, 0.0663031409, -5.33304532e-05, 2.24236182e-08, -3.81872426e-12, -22823.0293, 30.0396502, 19.2506324, 0.0195222852, -6.59556833e-06, 1.01548124e-09, -5.8572797e-14, -28681.6224, -66.1047459], "model": "NASA7"}, "CY(CCCO)COH": {"Cp": [300.0, 1396.0, 5000.0, -6.97589766, 0.0798392838, -7.11131714e-05, 3.16611877e-08, -5.61324136e-12, -33577.7839, 61.209334, 13.4636332, 0.0228745777, -9.93619553e-06, 1.89605197e-09, -1.26466856e-13, -39639.6606, -45.1064489], "model": "NASA7"}, "C4H7OH1O1-2": {"Cp": [300.0, 1416.0, 5000.0, -0.992132232, 0.0610442023, -4.56735658e-05, 1.72218666e-08, -2.57793481e-12, -38866.0386, 32.5362317, 16.8298837, 0.0178156219, -6.0228931e-06, 9.27989148e-10, -5.35623359e-14, -44786.7317, -62.4291187], "model": "NASA7"}, "C4H7OH1O2-3": {"Cp": [300.0, 1061.0, 5000.0, -6.45285066, 0.088109496, -9.54773597e-05, 5.45771562e-08, -1.30053791e-11, -35080.3469, 56.9806126, 11.1336075, 0.0234669206, -7.95359478e-06, 1.02492341e-09, -3.66263811e-14, -38722.1027, -29.0094667], "model": "NASA7"}, "C4H7OH2O1-2": {"Cp": [300.0, 1417.0, 5000.0, -0.500079139, 0.0559210642, -3.80809577e-05, 1.28185406e-08, -1.66644772e-12, -38395.9339, 30.3860802, 15.6708992, 0.0186805313, -6.29482402e-06, 9.67683006e-10, -5.57621212e-14, -43964.2982, -56.4811727], "model": "NASA7"}, "C4H7OH2O1-4": {"Cp": [300.0, 1434.0, 5000.0, -6.90682854, 0.0753882795, -6.1401535e-05, 2.51602924e-08, -4.0571583e-12, -43554.7562, 60.7439403, 14.8636951, 0.0190487399, -6.18537084e-06, 9.27600884e-10, -5.2546953e-14, -50359.7396, -53.8844634], "model": "NASA7"}, "NC4KET21OH": {"Cp": [300.0, 1507.0, 5000.0, 5.46677192, 0.0301119974, -2.5954885e-06, -7.61700554e-09, 2.55573161e-12, -48990.9104, 6.33307684, 15.2252911, 0.0186615017, -6.30658772e-06, 9.72355897e-10, -5.61770184e-14, -53475.9661, -50.0397269], "model": "NASA7"}, "C2H5CHOHCO": {"Cp": [300.0, 1389.0, 5000.0, -2.44749259, 0.0646308488, -5.10457937e-05, 1.99850773e-08, -3.1221449e-12, -26667.0442, 39.5566556, 18.2917246, 0.014800741, -5.24974573e-06, 8.35220286e-10, -4.92942253e-14, -33670.3722, -71.2363783], "model": "NASA7"}, "C2H4COCH2OH": {"Cp": [300.0, 1462.0, 5000.0, 7.98874348, 0.0141152447, 1.86299924e-05, -1.99223089e-08, 5.12983835e-12, -29870.6372, -1.8719203, 14.0828195, 0.0176833414, -6.09759192e-06, 9.52794521e-10, -5.55571628e-14, -33751.8398, -40.8944306], "model": "NASA7"}, "C4H71-1OH": {"Cp": [300.0, 1402.0, 5000.0, -0.465981165, 0.0556573217, -4.50578305e-05, 1.93726056e-08, -3.38967639e-12, -23100.7894, 27.9744544, 14.2586569, 0.0171932504, -5.74956414e-06, 8.79089774e-10, -5.04586493e-14, -27805.1048, -49.6581579], "model": "NASA7"}, "C4H71-4OH": {"Cp": [300.0, 1396.0, 5000.0, -0.212276307, 0.0486358034, -3.17241965e-05, 1.04986646e-08, -1.39007078e-12, -20036.5173, 30.4092052, 13.3437331, 0.0182063693, -6.15150719e-06, 9.47318576e-10, -5.46543216e-14, -24847.9001, -42.7998774], "model": "NASA7"}, "C4H72-1OH": {"Cp": [300.0, 1367.0, 5000.0, 2.94637661, 0.0345852975, -1.10024787e-05, -1.33281467e-09, 9.54964043e-13, -21224.1816, 15.5037145, 13.2893235, 0.0193843938, -6.80733358e-06, 1.07559847e-09, -6.31698641e-14, -25862.7911, -43.4782359], "model": "NASA7"}, "C4H71-2OH": {"Cp": [300.0, 1404.0, 5000.0, -1.28560619, 0.063575802, -5.85328191e-05, 2.80452715e-08, 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1405.0, 5000.0, -1.60022758, 0.0612386329, -6.18933585e-05, 3.14927455e-08, -6.20396658e-12, -9774.35172, 30.8328186, 14.0975061, 0.0129826578, -4.36356696e-06, 6.69260196e-10, -3.84920001e-14, -14109.9189, -49.4340793], "model": "NASA7"}, "SQC4H7OHP-4O2": {"Cp": [300.0, 1402.0, 5000.0, 2.62618431, 0.0726812595, -5.64956508e-05, 2.25892409e-08, -3.65246549e-12, -40899.9596, 26.5615323, 23.5936348, 0.0208588461, -7.13602285e-06, 1.10820581e-09, -6.43133049e-14, -47845.2356, -84.9505816], "model": "NASA7"}, "PQC4H7OHS-3O2": {"Cp": [300.0, 1414.0, 5000.0, 2.90986916, 0.0776596028, -6.68513896e-05, 2.93627835e-08, -5.12008013e-12, -43155.1961, 22.9130715, 24.6607662, 0.019294777, -6.45433722e-06, 9.87246207e-10, -5.6688963e-14, -49846.7067, -91.0424907], "model": "NASA7"}, "SQC4H7OHP-3O2": {"Cp": [300.0, 1410.0, 5000.0, 2.92763565, 0.0738931629, -5.95503688e-05, 2.45920228e-08, -4.07125393e-12, -43043.6252, 23.4692007, 24.0084725, 0.0201386711, -6.80801612e-06, 1.04885463e-09, 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-59146.9605, 3.98040888, 17.6639507, 0.0238921914, -8.87612081e-06, 1.46065294e-09, -8.83476797e-14, -63656.1283, -56.0405234], "model": "NASA7"}, "NC4KET24OH-3": {"Cp": [300.0, 1392.0, 5000.0, 2.60979522, 0.0611530456, -4.50409252e-05, 1.73313054e-08, -2.75573967e-12, -60770.8447, 24.489203, 20.2237496, 0.0194540798, -6.73928381e-06, 1.05529414e-09, -6.15931037e-14, -66865.1215, -69.9676945], "model": "NASA7"}, "C4H6OHOOH1-4-3": {"Cp": [300.0, 1398.0, 5000.0, -1.90016482, 0.0772727339, -6.79667571e-05, 2.98158102e-08, -5.16343458e-12, -30164.9655, 40.6810164, 21.5163584, 0.0155811846, -5.27569793e-06, 8.1481062e-10, -4.71424652e-14, -37482.5726, -82.410115], "model": "NASA7"}, "C4H6OHOOH2-2-1": {"Cp": [300.0, 1396.0, 5000.0, 0.0472576793, 0.0785787048, -7.6800641e-05, 3.7920612e-08, -7.33203833e-12, -35114.0091, 28.0064858, 21.665646, 0.0159965487, -5.52214578e-06, 8.62740322e-10, -5.02768063e-14, -41487.5437, -83.937754], "model": "NASA7"}, "C4H6OHOOH1-3-4": {"Cp": [300.0, 1391.0, 5000.0, 0.944277749, 0.0634330602, -4.99455695e-05, 2.05720571e-08, -3.48143957e-12, -31782.7282, 29.2923796, 19.3445152, 0.0182185729, -6.3449163e-06, 9.97097673e-10, -5.83420009e-14, -37995.2136, -68.8144861], "model": "NASA7"}, "HOCH2COCH2": {"Cp": [300.0, 1363.0, 5000.0, 4.9863497, 0.0251766916, -1.10893306e-05, 1.12011467e-09, 2.89491135e-13, -24004.7973, 6.38258616, 12.7106963, 0.011551396, -3.95951917e-06, 6.16237371e-10, -3.58328248e-14, -27153.8154, -36.7129478], "model": "NASA7"}, "HOCH2CHO": {"Cp": [300.0, 1680.0, 5000.0, 4.35084369, 0.0150412895, -5.9508303e-07, -3.75736217e-09, 1.09353598e-12, -39165.4526, 8.09610238, 7.99598542, 0.0120664034, -4.43693399e-06, 7.25167046e-10, -4.3653546e-14, -40902.0567, -13.3754312], "model": "NASA7"}, "HOCH2CO": {"Cp": [300.0, 1487.0, 5000.0, 5.12916864, 0.00907172819, 6.49228146e-06, -8.56591893e-09, 2.31070825e-12, -20615.1607, 5.73007596, 9.43496508, 0.0076889734, -2.7495928e-06, 4.39772312e-10, -2.60488233e-14, -22970.0136, 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-3.21373436e-12, -27752.6909, 19.5001368, 20.8281225, 0.0181675094, -6.12943202e-06, 9.43194119e-10, -5.43937008e-14, -33738.6684, -77.482372], "model": "NASA7"}, "IQJC4H8OH": {"Cp": [300.0, 1410.0, 5000.0, 1.81448831, 0.074745275, -7.10895172e-05, 3.44973679e-08, -6.54646593e-12, -34402.3586, 17.7380434, 21.1752212, 0.0175144254, -5.73227292e-06, 8.63386596e-10, -4.90282414e-14, -39888.1576, -81.9187015], "model": "NASA7"}, "TQC4H8OI": {"Cp": [300.0, 1411.0, 5000.0, 0.0745747835, 0.0746499596, -6.42255048e-05, 2.80908988e-08, -4.87692045e-12, -24718.2737, 29.4511549, 21.3200701, 0.0180489663, -6.06124072e-06, 9.29740751e-10, -5.34977374e-14, -31296.6663, -82.0046659], "model": "NASA7"}, "QC4H7OHP": {"Cp": [300.0, 1416.0, 5000.0, -1.27864186, 0.0894492926, -8.78565423e-05, 4.22110919e-08, -7.83450876e-12, -25897.5226, 35.3963909, 24.3481084, 0.0150316366, -5.01788017e-06, 7.66774357e-10, -4.4009322e-14, -33192.232, -96.8211106], "model": "NASA7"}, "IQC4H8OT": {"Cp": [300.0, 1405.0, 5000.0, 3.72211529, 0.0642864861, -5.52809053e-05, 2.5003663e-08, -4.53471908e-12, -24311.0525, 12.1981167, 20.4823628, 0.0182966721, -6.04413378e-06, 9.16380548e-10, -5.22866551e-14, -29428.7153, -75.3563247], "model": "NASA7"}, "IQC4H7OHT": {"Cp": [300.0, 1413.0, 5000.0, 3.58900054, 0.0725591129, -7.14080484e-05, 3.55250907e-08, -6.84991795e-12, -25724.125, 12.3766657, 21.9945886, 0.0162011186, -5.23758492e-06, 7.81898296e-10, -4.41125515e-14, -30738.3725, -81.6613568], "model": "NASA7"}, "IC4H7OH": {"Cp": [300.0, 1398.0, 5000.0, 2.0412424, 0.0414387207, -2.55228632e-05, 8.28133017e-09, -1.10654457e-12, -22270.9637, 18.8699473, 12.3304221, 0.0183885172, -6.06721733e-06, 9.19054723e-10, -5.24036171e-14, -25945.2023, -36.7418286], "model": "NASA7"}, "IC4H8OH": {"Cp": [300.0, 1376.0, 5000.0, 3.29612707, 0.0347649647, -1.02505618e-05, -2.04641931e-09, 1.18879408e-12, -14562.7247, 15.860632, 12.5605997, 0.0210637488, -7.15019648e-06, 1.10439262e-09, -6.38428695e-14, -18620.3249, 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0.0185402212, -6.36973877e-06, 9.91732739e-10, -5.7647264e-14, -55019.8923, -58.3074874], "model": "NASA7"}, "CH2COHCH2O": {"Cp": [300.0, 1381.0, 5000.0, 4.12822743, 0.0361492278, -2.83466192e-05, 1.19441836e-08, -2.11109175e-12, -14406.3959, 5.5864202, 14.5684365, 0.0108981466, -3.8384736e-06, 6.07726872e-10, -3.57429471e-14, -18038.3184, -50.3354517], "model": "NASA7"}, "CH2COHCH2OOH": {"Cp": [300.0, 1417.0, 5000.0, -0.435112929, 0.063654209, -6.69140843e-05, 3.46184937e-08, -6.81745647e-12, -31604.8176, 30.8627599, 15.3914723, 0.0120773605, -3.73779252e-06, 5.40389197e-10, -2.97699504e-14, -35574.6086, -48.8426511], "model": "NASA7"}, "TQC4H7OHIO2": {"Cp": [300.0, 1402.0, 5000.0, 3.17336206, 0.07940059, -6.51165712e-05, 2.62035931e-08, -4.1340629e-12, -48494.3162, 17.7867184, 28.2564819, 0.0166969871, -5.67314614e-06, 8.78350442e-10, -5.09090253e-14, -56601.7464, -115.147927], "model": "NASA7"}, "TQC4H7OHTO2": {"Cp": [300.0, 1402.0, 5000.0, 3.17336206, 0.07940059, -6.51165712e-05, 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