#!/usr/bin/env python
# encoding: utf-8

name = "GRI-Mech 3.0"
shortDesc = u"An optimized detailed reaction mechanism for natural gas combustion in flames and ignition."
longDesc = u"""
The thermodynamic and kinetic parameters in the GRI-Mech 3.0 mechanism have 
been collectively estimated from literature search and then optimized to a set 
of representative experimental targets. For this reason you should generally
use GRI-Mech in its entirety, and generally should not tweak any of its
parameter values.

GRI-Mech is the result of collaborative research of the Gas Research Institute
and carried out at The University of California at Berkeley, Stanford 
University, The University of Texas at Austin, and SRI International.
"""
entry(
    index = 0,
    label = "O",
    molecule = 
"""
multiplicity 3
1 O u2 p2 c0
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.16827,-0.00327932,6.64306e-06,-6.12807e-09,2.11266e-12,29122.3,2.05193], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.56942,-8.59741e-05,4.19485e-08,-1.00178e-11,1.22834e-15,29217.6,4.78434], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 1,
    label = "O2",
    molecule = 
"""
multiplicity 3
1 O u1 p2 c0 {2,S}
2 O u1 p2 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.78246,-0.00299673,9.8473e-06,-9.6813e-09,3.24373e-12,-1063.94,3.65768], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.28254,0.00148309,-7.57967e-07,2.09471e-10,-2.16718e-14,-1088.46,5.45323], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 2,
    label = "H",
    molecule = 
"""
multiplicity 2
1 H u1 p0 c0
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.5,7.05333e-13,-1.99592e-15,2.30082e-18,-9.27732e-22,25473.7,-0.446683], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.5,-2.30843e-11,1.61562e-14,-4.73515e-18,4.98197e-22,25473.7,-0.446683], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 3,
    label = "H2",
    molecule = 
"""
1 H u0 p0 c0 {2,S}
2 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.34433,0.00798052,-1.94782e-05,2.01572e-08,-7.37612e-12,-917.935,0.68301], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.33728,-4.94025e-05,4.99457e-07,-1.79566e-10,2.00255e-14,-950.159,-3.20502], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 4,
    label = "OH",
    molecule = 
"""
multiplicity 2
1 O u1 p2 c0 {2,S}
2 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.99202,-0.00240132,4.61794e-06,-3.88113e-09,1.36411e-12,3615.08,-0.103925], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.09289,0.00054843,1.26505e-07,-8.79462e-11,1.17412e-14,3858.66,4.4767], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 5,
    label = "H2O",
    molecule = 
"""
1 O u0 p2 c0 {2,S} {3,S}
2 H u0 p0 c0 {1,S}
3 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.19864,-0.00203643,6.5204e-06,-5.48797e-09,1.77198e-12,-30293.7,-0.849032], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.03399,0.00217692,-1.64073e-07,-9.7042e-11,1.68201e-14,-30004.3,4.96677], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 6,
    label = "HO2",
    molecule = 
"""
multiplicity 2
1 O u0 p2 c0 {2,S} {3,S}
2 O u1 p2 c0 {1,S}
3 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.3018,-0.00474912,2.11583e-05,-2.42764e-08,9.29225e-12,294.808,3.71666], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[4.01721,0.00223982,-6.33658e-07,1.14246e-10,-1.07909e-14,111.857,3.7851], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 7,
    label = "H2O2",
    molecule = 
"""
1 O u0 p2 c0 {2,S} {3,S}
2 O u0 p2 c0 {1,S} {4,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.27611,-0.000542822,1.67336e-05,-2.15771e-08,8.62454e-12,-17702.6,3.43505], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[4.165,0.00490832,-1.90139e-06,3.71186e-10,-2.87908e-14,-17861.8,2.91616], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 8,
    label = "C(T)",
    molecule = 
"""
multiplicity 3
1 C u2 p1 c0
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.55424,-0.000321538,7.33792e-07,-7.32235e-10,2.66521e-13,85443.9,4.53131], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.49267,4.79889e-05,-7.24335e-08,3.74291e-11,-4.87278e-15,85451.3,4.8015], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 9,
    label = "CH",
    molecule = 
"""
multiplicity 2
1 C u1 p1 c0 {2,S}
2 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.48982,0.000323836,-1.68899e-06,3.16217e-09,-1.40609e-12,70797.3,2.08401], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.87846,0.000970914,1.44446e-07,-1.30688e-10,1.76079e-14,71012.4,5.48498], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 10,
    label = "CH2",
    molecule = 
"""
multiplicity 3
1 C u2 p0 c0 {2,S} {3,S}
2 H u0 p0 c0 {1,S}
3 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.76268,0.000968872,2.7949e-06,-3.85091e-09,1.68742e-12,46004,1.56253], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.8741,0.00365639,-1.40895e-06,2.6018e-10,-1.87728e-14,46263.6,6.17119], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 11,
    label = "CH2(S)",
    molecule = 
"""
1 C u0 p1 c0 {2,S} {3,S}
2 H u0 p0 c0 {1,S}
3 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.1986,-0.00236661,8.23296e-06,-6.68816e-09,1.94315e-12,50496.8,-0.769119], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.29204,0.00465589,-2.01192e-06,4.17906e-10,-3.39716e-14,50926,8.6265], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 12,
    label = "CH3",
    molecule = 
"""
multiplicity 2
1 C u1 p0 c0 {2,S} {3,S} {4,S}
2 H u0 p0 c0 {1,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.67359,0.00201095,5.73022e-06,-6.87117e-09,2.54386e-12,16445,1.60456], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.28572,0.0072399,-2.98714e-06,5.95685e-10,-4.67154e-14,16775.6,8.48007], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 13,
    label = "CH4",
    molecule = 
"""
1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
2 H u0 p0 c0 {1,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[5.14988,-0.013671,4.91801e-05,-4.84743e-08,1.66694e-11,-10246.6,-4.6413], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[0.0748515,0.0133909,-5.73286e-06,1.22293e-09,-1.01815e-13,-9468.34,18.4373], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 14,
    label = "CO",
    molecule = 
"""
1 C u0 p1 c-1 {2,T}
2 O u0 p1 c+1 {1,T}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.57953,-0.000610354,1.01681e-06,9.07006e-10,-9.04424e-13,-14344.1,3.50841], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.71519,0.00206253,-9.98826e-07,2.30053e-10,-2.03648e-14,-14151.9,7.81869], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 15,
    label = "CO2",
    molecule = 
"""
1 O u0 p2 c0 {2,D}
2 C u0 p0 c0 {1,D} {3,D}
3 O u0 p2 c0 {2,D}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.35677,0.0089846,-7.12356e-06,2.45919e-09,-1.437e-13,-48372,9.90105], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.85746,0.00441437,-2.21481e-06,5.2349e-10,-4.72084e-14,-48759.2,2.27164], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 16,
    label = "HCO",
    molecule = 
"""
multiplicity 2
1 C u1 p0 c0 {2,D} {3,S}
2 O u0 p2 c0 {1,D}
3 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.22119,-0.00324393,1.37799e-05,-1.33144e-08,4.33769e-12,3839.56,3.39437], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.77217,0.00495696,-2.48446e-06,5.89162e-10,-5.33509e-14,4011.92,9.79834], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 17,
    label = "CH2O",
    molecule = 
"""
1 C u0 p0 c0 {2,D} {3,S} {4,S}
2 O u0 p2 c0 {1,D}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.79372,-0.00990833,3.7322e-05,-3.79285e-08,1.31773e-11,-14309,0.602813], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[1.76069,0.0092,-4.42259e-06,1.00641e-09,-8.83856e-14,-13995.8,13.6563], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 18,
    label = "CH2OH",
    molecule = 
"""
multiplicity 2
1 C u1 p0 c0 {2,S} {3,S} {4,S}
2 O u0 p2 c0 {1,S} {5,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.86389,0.00559672,5.93272e-06,-1.04532e-08,4.36967e-12,-3193.91,5.47302], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.69267,0.00864577,-3.75101e-06,7.87235e-10,-6.48554e-14,-3242.51,5.81043], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 19,
    label = "CH3O",
    molecule = 
"""
multiplicity 2
1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
2 O u1 p2 c0 {1,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.1062,0.0072166,5.33847e-06,-7.37764e-09,2.07561e-12,978.601,13.1522], Tmin=(298,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.7708,0.0078715,-2.65638e-06,3.94443e-10,-2.11262e-14,127.833,2.92957], Tmin=(1000,'K'), Tmax=(3000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (3000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 20,
    label = "CH3OH",
    molecule = 
"""
1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
2 O u0 p2 c0 {1,S} {6,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {1,S}
6 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[5.7154,-0.0152309,6.52441e-05,-7.10807e-08,2.61353e-11,-25642.8,-1.5041], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[1.78971,0.0140938,-6.36501e-06,1.38171e-09,-1.1706e-13,-25374.9,14.5024], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 21,
    label = "C2H",
    molecule = 
"""
multiplicity 2
1 C u1 p0 c0 {2,T}
2 C u0 p0 c0 {1,T} {3,S}
3 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.88966,0.01341,-2.8477e-05,2.94791e-08,-1.09332e-11,66839.4,6.22296], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.16781,0.00475222,-1.83787e-06,3.0419e-10,-1.77233e-14,67121.1,6.63589], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 22,
    label = "C2H2",
    molecule = 
"""
1 C u0 p0 c0 {2,T} {3,S}
2 C u0 p0 c0 {1,T} {4,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[0.808681,0.0233616,-3.55172e-05,2.80152e-08,-8.50073e-12,26429,13.9397], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[4.14757,0.00596167,-2.37295e-06,4.67412e-10,-3.61235e-14,25936,-1.23028], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 23,
    label = "C2H3",
    molecule = 
"""
multiplicity 2
1 C u1 p0 c0 {2,D} {3,S}
2 C u0 p0 c0 {1,D} {4,S} {5,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {2,S}
5 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.21247,0.00151479,2.59209e-05,-3.57658e-08,1.47151e-11,34859.8,8.51054], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.01672,0.0103302,-4.68082e-06,1.01763e-09,-8.62607e-14,34612.9,7.78732], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 24,
    label = "C2H4",
    molecule = 
"""
1 C u0 p0 c0 {2,D} {3,S} {4,S}
2 C u0 p0 c0 {1,D} {5,S} {6,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {2,S}
6 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.9592,-0.00757052,5.7099e-05,-6.91589e-08,2.69884e-11,5089.78,4.09733], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.03611,0.0146454,-6.71078e-06,1.47223e-09,-1.25706e-13,4939.89,10.3054], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 25,
    label = "C2H5",
    molecule = 
"""
multiplicity 2
1 C u1 p0 c0 {2,S} {3,S} {4,S}
2 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {2,S}
6 H u0 p0 c0 {2,S}
7 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.30647,-0.00418659,4.97143e-05,-5.99127e-08,2.30509e-11,12841.6,4.70721], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[1.95466,0.0173973,-7.98207e-06,1.75218e-09,-1.49642e-13,12857.5,13.4624], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 26,
    label = "C2H6",
    molecule = 
"""
1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {1,S}
6 H u0 p0 c0 {2,S}
7 H u0 p0 c0 {2,S}
8 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.29142,-0.00550154,5.99438e-05,-7.08466e-08,2.68686e-11,-11522.2,2.66682], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[1.07188,0.0216853,-1.00256e-05,2.21412e-09,-1.90003e-13,-11426.4,15.1156], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 27,
    label = "CH2CO",
    molecule = 
"""
1 C u0 p0 c0 {2,D} {3,S} {4,S}
2 C u0 p0 c0 {1,D} {5,D}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
5 O u0 p2 c0 {2,D}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.13584,0.0181189,-1.73947e-05,9.34398e-09,-2.01458e-12,-7042.92,12.2156], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[4.5113,0.0090036,-4.1694e-06,9.23346e-10,-7.94838e-14,-7551.05,0.632247], Tmin=(1000,'K'), Tmax=(3500,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (3500,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 28,
    label = "HCCO",
    molecule = 
"""
multiplicity 2
1 C u1 p0 c0 {2,D} {4,S}
2 C u0 p0 c0 {1,D} {3,D}
3 O u0 p2 c0 {2,D}
4 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.25172,0.017655,-2.37291e-05,1.72758e-08,-5.06648e-12,20059.4,12.4904], Tmin=(298,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[5.62821,0.00408534,-1.59345e-06,2.86261e-10,-1.94078e-14,19327.2,-3.93026], Tmin=(1000,'K'), Tmax=(4000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (4000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 29,
    label = "HCCOH",
    molecule = 
"""
1 C u0 p0 c0 {2,T} {3,S}
2 C u0 p0 c0 {1,T} {4,S}
3 O u0 p2 c0 {1,S} {5,S}
4 H u0 p0 c0 {2,S}
5 H u0 p0 c0 {3,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[1.24237,0.0310722,-5.08669e-05,4.31371e-08,-1.40146e-11,8031.61,13.8743], Tmin=(298,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[5.92383,0.00679236,-2.56586e-06,4.49878e-10,-2.99401e-14,7264.63,-7.60177], Tmin=(1000,'K'), Tmax=(5000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (5000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 30,
    label = "H2CN",
    molecule = 
"""
multiplicity 2
1 C u0 p0 c0 {2,D} {3,S} {4,S}
2 N u1 p1 c0 {1,D}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.85166,0.00569523,1.07114e-06,-1.62261e-09,-2.35111e-13,28637.8,8.99275], Tmin=(298,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[5.2097,0.00296929,-2.85559e-07,-1.63555e-10,3.04326e-14,27677.1,-4.44448], Tmin=(1000,'K'), Tmax=(4000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (4000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 31,
    label = "HCN",
    molecule = 
"""
1 C u0 p0 c0 {2,T} {3,S}
2 N u0 p1 c0 {1,T}
3 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.25899,0.0100512,-1.33518e-05,1.00923e-08,-3.0089e-12,14712.6,8.91644], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.80224,0.00314642,-1.06322e-06,1.66198e-10,-9.79976e-15,14407.3,1.57546], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 32,
    label = "HNO",
    molecule = 
"""
1 N u0 p1 c0 {2,D} {3,S}
2 O u0 p2 c0 {1,D}
3 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.53349,-0.00566962,1.84732e-05,-1.71371e-08,5.54546e-12,11548.3,1.74984], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.97925,0.00349441,-7.85498e-07,5.74796e-11,-1.93359e-16,11750.6,8.60637], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 33,
    label = "N",
    molecule = 
"""
multiplicity 4
1 N u3 p1 c0
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.5,0,0,0,0,56104.6,4.19391], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.41594,0.000174891,-1.19024e-07,3.02262e-11,-2.0361e-15,56133.8,4.64961], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 34,
    label = "NNH",
    molecule = 
"""
multiplicity 2
1 N u1 p1 c0 {2,D}
2 N u0 p1 c0 {1,D} {3,S}
3 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.34469,-0.00484971,2.00595e-05,-2.17265e-08,7.94695e-12,28792,2.97794], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.76675,0.00289151,-1.04166e-06,1.68426e-10,-1.00919e-14,28650.7,4.47051], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 35,
    label = "N2O",
    molecule = 
"""
1 O u0 p2 c0 {2,D}
2 N u0 p0 c+1 {1,D} {3,D}
3 N u0 p2 c-1 {2,D}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.25715,0.0113047,-1.36713e-05,9.68198e-09,-2.93072e-12,8741.77,10.758], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[4.82307,0.00262703,-9.58509e-07,1.60007e-10,-9.77523e-15,8073.4,-2.20172], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 36,
    label = "NH",
    molecule = 
"""
1 N u2 p1 c0 {2,S}
2 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.49291,0.000311792,-1.48905e-06,2.48164e-09,-1.0357e-12,41880.6,1.84833], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.78369,0.00132984,-4.2478e-07,7.83485e-11,-5.50445e-15,42120.8,5.74078], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 37,
    label = "NH2",
    molecule = 
"""
multiplicity 2
1 N u1 p1 c0 {2,S} {3,S}
2 H u0 p0 c0 {1,S}
3 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.204,-0.00210614,7.10683e-06,-5.61152e-09,1.64407e-12,21885.9,-0.141842], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.83474,0.00320731,-9.33908e-07,1.3703e-10,-7.92061e-15,22172,6.52042], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 38,
    label = "NH3",
    molecule = 
"""
1 N u0 p1 c0 {2,S} {3,S} {4,S}
2 H u0 p0 c0 {1,S}
3 H u0 p0 c0 {1,S}
4 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.28603,-0.00466052,2.17185e-05,-2.28089e-08,8.2638e-12,-6741.73,-0.625373], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.63445,0.00566626,-1.72787e-06,2.38672e-10,-1.25788e-14,-6544.7,6.56629], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 39,
    label = "NO",
    molecule = 
"""
multiplicity 2
1 N u1 p1 c0 {2,D}
2 O u0 p2 c0 {1,D}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.21848,-0.00463898,1.1041e-05,-9.33614e-09,2.80358e-12,9844.62,2.28085], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.26061,0.0011911,-4.2917e-07,6.94577e-11,-4.03361e-15,9920.97,6.3693], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 40,
    label = "NO2",
    molecule = 
"""
multiplicity 2
1 N u0 p1 c0 {2,D} {3,S}
2 O u0 p2 c0 {1,D}
3 O u1 p2 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.94403,-0.00158543,1.66578e-05,-2.04754e-08,7.83506e-12,2896.62,6.31199], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[4.88475,0.0021724,-8.28069e-07,1.57475e-10,-1.05109e-14,2316.5,-0.117417], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 41,
    label = "HCNO",
    molecule = 
"""
multiplicity 3
1 C u1 p0 c0 {2,D} {4,S}
2 N u0 p1 c0 {1,D} {3,S}
3 O u1 p2 c0 {2,S}
4 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.64728,0.0127505,-1.04794e-05,4.41433e-09,-7.57521e-13,19299,10.7333], Tmin=(298,'K'), Tmax=(1382,'K')),
            NASAPolynomial(coeffs=[6.5986,0.00302779,-1.07704e-06,1.71667e-10,-1.01439e-14,17966.1,-10.3307], Tmin=(1382,'K'), Tmax=(5000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (5000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 42,
    label = "HOCN",
    molecule = 
"""
1 O u0 p2 c0 {2,S} {4,S}
2 C u0 p0 c0 {1,S} {3,T}
3 N u0 p1 c0 {2,T}
4 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.78605,0.00688668,-3.21488e-06,5.17196e-10,1.19361e-14,-2826.98,5.63292], Tmin=(298,'K'), Tmax=(1368,'K')),
            NASAPolynomial(coeffs=[5.89785,0.00316789,-1.11801e-06,1.77243e-10,-1.04339e-14,-3706.53,-6.18168], Tmin=(1368,'K'), Tmax=(5000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (5000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 43,
    label = "HNCO",
    molecule = 
"""
1 N u0 p1 c0 {2,D} {4,S}
2 C u0 p0 c0 {1,D} {3,D}
3 O u0 p2 c0 {2,D}
4 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.63096,0.00730282,-2.2805e-06,-6.61271e-10,3.62236e-13,-15587.4,6.19458], Tmin=(298,'K'), Tmax=(1478,'K')),
            NASAPolynomial(coeffs=[6.22395,0.00317864,-1.09379e-06,1.70735e-10,-9.95022e-15,-16659.9,-8.38225], Tmin=(1478,'K'), Tmax=(5000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (5000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 44,
    label = "NCO",
    molecule = 
"""
multiplicity 2
1 N u1 p1 c0 {2,D}
2 C u0 p0 c0 {1,D} {3,D}
3 O u0 p2 c0 {2,D}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.82693,0.00880517,-8.38661e-06,4.8017e-09,-1.33136e-12,14682.5,9.55046], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[5.15218,0.00230518,-8.80332e-07,1.47891e-10,-9.0978e-15,14004.1,-2.54427], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 45,
    label = "CN",
    molecule = 
"""
multiplicity 2
1 N u0 p1 c0 {2,T}
2 C u1 p0 c0 {1,T}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.61294,-0.000955513,2.1443e-06,-3.15163e-10,-4.64304e-13,51708.3,3.9805], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[3.74598,4.34508e-05,2.9706e-07,-6.86518e-11,4.41342e-15,51536.2,2.78676], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 46,
    label = "HCNN",
    molecule = 
"""
multiplicity 2
1 C u0 p1 c0 {2,S} {4,S}
2 N u0 p1 c0 {1,S} {3,D}
3 N u1 p1 c0 {2,D}
4 H u0 p0 c0 {1,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.52432,0.0159606,-1.88164e-05,1.21255e-08,-3.23574e-12,54262,11.6759], Tmin=(298,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[5.89464,0.0039896,-1.59824e-06,2.92494e-10,-2.00947e-14,53452.9,-5.10305], Tmin=(1000,'K'), Tmax=(5000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (5000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 47,
    label = "N2",
    molecule = 
"""
1 N u0 p1 c0 {2,T}
2 N u0 p1 c0 {1,T}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.29868,0.00140824,-3.96322e-06,5.64152e-09,-2.44485e-12,-1020.9,3.95037], Tmin=(298,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.92664,0.00148798,-5.68476e-07,1.0097e-10,-6.75335e-15,-922.798,5.98053], Tmin=(1000,'K'), Tmax=(5000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (5000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 48,
    label = "Ar",
    molecule = 
"""
1 Ar u0 p4 c0
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[2.5,0,0,0,0,-745.375,4.366], Tmin=(298,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[2.5,0,0,0,0,-745.375,4.366], Tmin=(1000,'K'), Tmax=(5000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (5000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 49,
    label = "C3H8",
    molecule = 
"""
1  C u0 p0 c0 {2,S} {4,S} {5,S} {6,S}
2  C u0 p0 c0 {1,S} {3,S} {7,S} {8,S}
3  C u0 p0 c0 {2,S} {9,S} {10,S} {11,S}
4  H u0 p0 c0 {1,S}
5  H u0 p0 c0 {1,S}
6  H u0 p0 c0 {1,S}
7  H u0 p0 c0 {2,S}
8  H u0 p0 c0 {2,S}
9  H u0 p0 c0 {3,S}
10 H u0 p0 c0 {3,S}
11 H u0 p0 c0 {3,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[0.933554,0.0264246,6.10597e-06,-2.19775e-08,9.51493e-12,-13958.5,19.2017], Tmin=(298,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[7.53414,0.0188722,-6.27185e-06,9.14756e-10,-4.78381e-14,-16467.5,-17.8923], Tmin=(1000,'K'), Tmax=(5000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (5000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 50,
    label = "C3H7",
    molecule = 
"""
multiplicity 2
1  C u1 p0 c0 {2,S} {4,S} {5,S}
2  C u0 p0 c0 {1,S} {3,S} {6,S} {7,S}
3  C u0 p0 c0 {2,S} {8,S} {9,S} {10,S}
4  H u0 p0 c0 {1,S}
5  H u0 p0 c0 {1,S}
6  H u0 p0 c0 {2,S}
7  H u0 p0 c0 {2,S}
8  H u0 p0 c0 {3,S}
9  H u0 p0 c0 {3,S}
10 H u0 p0 c0 {3,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[1.05155,0.025992,2.38005e-06,-1.96096e-08,9.37325e-12,10631.9,21.1226], Tmin=(298,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[7.7027,0.0160442,-5.28332e-06,7.62986e-10,-3.93923e-14,8298.43,-15.4802], Tmin=(1000,'K'), Tmax=(5000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (5000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

entry(
    index = 51,
    label = "CH3CHO",
    molecule = 
"""
1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S}
2 C u0 p0 c0 {1,S} {3,D} {7,S}
3 O u0 p2 c0 {2,D}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {1,S}
6 H u0 p0 c0 {1,S}
7 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[4.72946,-0.00319329,4.75349e-05,-5.74586e-08,2.19311e-11,-21572.9,4.10302], Tmin=(200,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[5.40411,0.0117231,-4.22631e-06,6.83725e-10,-4.09849e-14,-22593.1,-3.48079], Tmin=(1000,'K'), Tmax=(6000,'K')),
        ],
        Tmin = (200,'K'),
        Tmax = (6000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""

""",
)

entry(
    index = 52,
    label = "CH2CHO",
    molecule = 
"""
multiplicity 2
1 C u1 p0 c0 {2,S} {4,S} {5,S}
2 C u0 p0 c0 {1,S} {3,D} {6,S}
3 O u0 p2 c0 {2,D}
4 H u0 p0 c0 {1,S}
5 H u0 p0 c0 {1,S}
6 H u0 p0 c0 {2,S}
""",
    thermo = NASA(
        polynomials = [
            NASAPolynomial(coeffs=[3.40906,0.0107386,1.89149e-06,-7.15858e-09,2.86738e-12,1521.48,9.55829], Tmin=(298,'K'), Tmax=(1000,'K')),
            NASAPolynomial(coeffs=[5.97567,0.00813059,-2.74362e-06,4.0703e-10,-2.17602e-14,490.322,-5.04525], Tmin=(1000,'K'), Tmax=(5000,'K')),
        ],
        Tmin = (298,'K'),
        Tmax = (5000,'K'),
    ),
    reference = Reference(authors=['G. P. Smith', 'D. M. Golden', 'M. Frenklach', 'N. W. Moriarty', 'B. Eiteneer', 'M. Goldenberg', 'C. T. Bowman', 'R. K. Hanson', 'S. Song', 'W. C. Gardiner, Jr.', 'V. V. Lissianski', 'Z. Qin.'], title='GRI-Mech 3.0.', year='1999', url='http://www.me.berkeley.edu/gri-mech/version30/text30.html'),
    referenceType = "review",
    shortDesc = u"""""",
    longDesc = 
u"""
The official GRI-Mech 3.0 has the minimum temperature on the NASA polynomial at 300K.
This prevents it from being used to evaluate the standard properties at 298K as required
by some parts of RMG. Extrapolating 2 degrees beyond the the recommended range probably
introduces less error than not using the thermo at all, so the range has been extended
to 298K.
""",
)

