diff --git a/input/thermo/libraries/NH3.py b/input/thermo/libraries/NH3.py
new file mode 100644
index 0000000000..49740756af
--- /dev/null
+++ b/input/thermo/libraries/NH3.py
@@ -0,0 +1,1312 @@
+#!/usr/bin/env python
+# encoding: utf-8
+
+name = "NH3"
+shortDesc = "Ammonia oxidation"
+longDesc = """
+J.M. Velasco, K. Kaplan, K.A. Spiekerman, A. Menon, C. Cao, W.H. Green, A. Grinberg Dana,
+"Yet another NH3 oxidation kinetic model, and a path forward", 2023, In Progress.
+
+Based on 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ computations
+with enthalpies from ATcT where available.
+"""
+
+entry(
+    index=1,
+    label="N",
+    molecule="""
+multiplicity 4
+1 N u3 p1 c0
+""",
+    thermo=ThermoData(
+        H298=(472.442, 'kJ/mol'),
+        S298=(153.171, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([20.7862, 20.7862, 20.7862, 20.7862, 20.7862, 20.7862, 20.7862, 20.7862, 20.7862], 'J/(mol*K)'),
+        Cp0=(20.7862, 'J/(mol*K)'),
+        CpInf=(20.7862, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=2,
+    label="NH(S)",
+    molecule="""
+multiplicity 1
+1 N u0 p2 c0 {2,S}
+2 H u0 p0 c0 {1,S}
+""",
+    thermo=ThermoData(
+        H298=(509.39, 'kJ/mol'),
+        S298=(171.743, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([29.0839, 29.0587, 29.1119, 29.269, 29.8957, 30.7503, 32.8289, 34.3866, 35.288], 'J/(mol*K)'),
+        Cp0=(29.1007, 'J/(mol*K)'),
+        CpInf=(37.4151, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=3,
+    label="NH(T)",
+    molecule="""
+multiplicity 3
+1 N u2 p1 c0 {2,S}
+2 H u0 p0 c0 {1,S}
+""",
+    thermo=ThermoData(
+        H298=(358.79, 'kJ/mol'),
+        S298=(180.898, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([29.0824, 29.0587, 29.1169, 29.2825, 29.9315, 30.8004, 32.8894, 34.4385, 35.3262], 'J/(mol*K)'),
+        Cp0=(29.1007, 'J/(mol*K)'),
+        CpInf=(37.4151, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=4,
+    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=ThermoData(
+        H298=(186.03, 'kJ/mol'),
+        S298=(194.473, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([33.6462, 34.3101, 35.266, 36.4685, 39.246, 41.9191, 47.4293, 51.0909, 53.1949], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(58.2013, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=5,
+    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=ThermoData(
+        H298=(-45.556, 'kJ/mol',),
+        S298=(192.286, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([35.3396, 37.6552, 40.4923, 43.6023, 49.6031, 54.8092, 64.6581, 70.8086, 74.4798], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=6,
+    label="N2",
+    molecule="""
+1 N u0 p1 c0 {2,T}
+2 N u0 p1 c0 {1,T}
+""",
+    thermo=ThermoData(
+        H298=(0.0, 'kJ/mol',),
+        S298=(191.465, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([29.0347, 29.2669, 29.6493, 30.162, 31.3996, 32.5611, 34.6758, 35.7636, 36.2178], 'J/(mol*K)'),
+        Cp0=(29.1007, 'J/(mol*K)'),
+        CpInf=(37.4151, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 is exact
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=7,
+    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=ThermoData(
+        H298=(249.23, 'kJ/mol'),
+        S298=(224.169, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([34.6139, 36.2864, 38.3125, 40.4409, 44.173, 47.1274, 51.9156, 54.2885, 55.5058], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(58.2013, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=8,
+    label="N2H2",
+    molecule="""
+1 N u0 p1 c0 {2,D} {3,S}
+2 N u0 p1 c0 {1,D} {4,S}
+3 H u0 p0 c0 {1,S}
+4 H u0 p0 c0 {2,S}
+""",
+    thermo=ThermoData(
+        H298=(199.98, 'kJ/mol'),
+        S298=(217.988, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([35.2366, 38.4647, 42.4773, 46.6858, 53.9989, 59.817, 69.3669, 74.2705, 76.9546], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=9,
+    label="H2NN(S)",
+    molecule="""
+1 N u0 p0 c+1 {2,D} {3,S} {4,S}
+2 N u0 p2 c-1 {1,D}
+3 H u0 p0 c0 {1,S}
+4 H u0 p0 c0 {1,S}
+""",
+    thermo=ThermoData(
+        H298=(300.46, 'kJ/mol'),
+        S298=(217.902, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([36.0598, 39.5746, 43.755, 47.9949, 55.2547, 60.9869, 70.283, 74.9856, 77.5189], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=10,
+    label="H2NN(T)",
+    molecule="""
+multiplicity 3
+1 N u0 p1 c0 {2,S} {3,S} {4,S}
+2 N u2 p1 c0 {1,S}
+3 H u0 p0 c0 {1,S}
+4 H u0 p0 c0 {1,S}
+""",
+    thermo=ThermoData(
+        H298=(365.612, 'kJ/mol'),
+        S298=(235.406, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([39.0515, 43.5863, 47.9629, 51.801, 57.9468, 62.6902, 70.3347, 74.5841, 77.3535], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=11,
+    label="N2H3",
+    molecule="""
+multiplicity 2
+1 N u0 p1 c0 {2,S} {3,S} {4,S}
+2 N u1 p1 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=ThermoData(
+        H298=(224.25, 'kJ/mol'),
+        S298=(248.677, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([46.9613, 52.8965, 58.252, 63.0195, 71.0197, 77.3205, 87.9087, 94.2102, 98.2139], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(103.931, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+
+Rotor scan not smooth, need to consider a strongly-coupled inversion mode
+""",
+)
+
+entry(
+    index=12,
+    label="N2H4",
+    molecule="""
+1 N u0 p1 c0 {2,S} {3,S} {4,S}
+2 N u0 p1 c0 {1,S} {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=ThermoData(
+        H298=(97.57, 'kJ/mol'),
+        S298=(237.245, 'J/(mol*K)'), # c=1
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([48.1822, 56.75, 64.4017, 71.1699, 82.4016, 91.0855, 105.125, 113.069, 118.318], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(128.874, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=13,
+    label="NH3NH",
+    molecule="""
+1 N u0 p0 c+1 {2,S} {3,S} {4,S} {5,S}
+2 N u0 p2 c-1 {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=ThermoData(
+        H298=(281.023, 'kJ/mol'),
+        S298=(239.749, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([46.9974, 53.9847, 60.8924, 67.3473, 78.5492, 87.6979, 103.514, 112.385, 117.413], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(128.874, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=14,
+    label="NO",
+    molecule="""
+multiplicity 2
+1 N u1 p1 c0 {2,D}
+2 O u0 p2 c0 {1,D}
+""",
+    thermo=ThermoData(
+        H298=(91.142, 'kJ/mol'),
+        S298=(205.185, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([29.1848, 29.639, 30.2811, 31.0423, 32.5281, 33.7023, 35.5187, 36.2781, 36.5925], 'J/(mol*K)'),
+        Cp0=(29.1007, 'J/(mol*K)'),
+        CpInf=(37.4151, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=15,
+    label="HNO(S)",
+    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=ThermoData(
+        H298=(106.97, 'kJ/mol'),
+        S298=(220.593, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([33.9253, 35.3633, 37.2635, 39.4024, 43.3578, 46.5106, 51.6233, 54.09, 55.3123], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(58.2013, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=16,
+    label="HNO(T)",
+    molecule="""
+multiplicity 3
+1 N u1 p1 c0 {2,S} {3,S}
+2 O u1 p2 c0 {1,S}
+3 H u0 p0 c0 {1,S}
+""",
+    thermo=ThermoData(
+        H298=(187.668, 'kJ/mol'),
+        S298=(229.222, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([35.0004, 36.8737, 38.9327, 40.9764, 44.5361, 47.226, 51.5718, 53.8883, 55.2562], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(58.2013, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=17,
+    label="HON",
+    molecule="""
+1 N u0 p2 c-1 {2,D}
+2 O u0 p1 c+1 {1,D} {3,S}
+3 H u0 p0 c0 {2,S}
+""",
+    thermo=ThermoData(
+        H298=(281.249, 'kJ/mol'),
+        S298=(220.65, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([34.5515, 36.4022, 38.5912, 40.7405, 44.362, 47.1941, 51.7277, 54.0203, 55.3133], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(58.2013, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=18,
+    label="H2NO",
+    molecule="""
+multiplicity 2
+1 N u0 p1 c0 {2,S} {3,S} {4,S}
+2 O u1 p2 c0 {1,S}
+3 H u0 p0 c0 {1,S}
+4 H u0 p0 c0 {1,S}
+""",
+    thermo=ThermoData(
+        H298=(64.08, 'kJ/mol'),
+        S298=(231.513, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([41.9816, 45.2358, 48.4661, 51.5984, 57.2998, 61.9654, 69.8886, 74.3812, 77.0853], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=19,
+    label="HNOH",
+    molecule="""
+multiplicity 2
+1 N u1 p1 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=ThermoData(
+        H298=(94.42, 'kJ/mol'),
+        S298=(233.325, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([38.867, 43.3346, 47.6713, 51.4871, 57.5699, 62.2706, 69.9013, 74.2066, 77.0521], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=20,
+    label="NH2OH",
+    molecule="""
+1 N u0 p1 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=ThermoData(
+        H298=(-43.45, 'kJ/mol'),
+        S298=(234.76, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([44.8708, 52.3121, 59.3393, 65.323, 74.0483, 80.2019, 88.9773, 93.3877, 96.694], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(103.931, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=21,
+    label="NH3O",
+    molecule="""
+1 N u0 p0 c+1 {2,S} {3,S} {4,S} {5,S}
+2 O u0 p3 c-1 {1,S}
+3 H u0 p0 c0 {1,S}
+4 H u0 p0 c0 {1,S}
+5 H u0 p0 c0 {1,S}
+""",
+    thermo=ThermoData(
+        H298=(60.0, 'kJ/mol'),
+        S298=(221.292, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([38.4778, 44.0343, 50.1571, 56.256, 66.9449, 75.0582, 88.1808, 95.1716, 99.2691], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(108.088, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=22,
+    label="NH2OO",
+    molecule="""
+multiplicity 2
+1 N u0 p1 c0 {2,S} {4,S} {5,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 O u1 p2 c0 {2,S}
+4 H u0 p0 c0 {1,S}
+5 H u0 p0 c0 {1,S}
+""",
+    thermo=ThermoData(
+        H298=(159.125, 'kJ/mol'),
+        S298=(280.543, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([53.1439, 58.0059, 63.1178, 67.6716, 75.2266, 81.0401, 90.1727, 94.8317, 97.5783], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(103.931, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=23,
+    label="N2O",
+    molecule="""
+1 N u0 p2 c-1 {2,D}
+2 N u0 p0 c+1 {1,D} {3,D}
+3 O u0 p2 c0 {2,D}
+""",
+    thermo=ThermoData(
+        H298=(60.0, 'kJ/mol'),
+        S298=(221.292, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([38.4778, 44.0343, 50.1571, 56.256, 66.9449, 75.0582, 88.1808, 95.1716, 99.2691], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(108.088, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=24,
+    label="cNNO",
+    molecule="""
+1 N u0 p1 c0 {2,D} {3,S}
+2 N u0 p1 c0 {1,D} {3,S}
+3 O u0 p2 c0 {1,S} {2,S}
+""",
+    thermo=ThermoData(
+        H298=(349.9, 'kJ/mol'),
+        S298=(241.679, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([43.1403, 45.8127, 47.8349, 49.5288, 52.11, 53.8461, 55.9649, 56.8226, 57.4447], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(58.2013, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=25,
+    label="HNNO",
+    molecule="""
+multiplicity 2
+1 O u0 p3 c-1 {2,S}
+2 N u1 p0 c+1 {1,S} {3,D}
+3 N u0 p1 c0 {2,D} {4,S}
+4 H u0 p0 c0 {3,S}
+""",
+    thermo=ThermoData(
+        H298=(207.975, 'kJ/mol'),
+        S298=(247.566, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([40.4359, 46.4029, 52.4379, 57.9053, 66.1002, 71.4701, 78.3416, 80.6907, 81.9072], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(78.9875, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+
+Did not use a "fine" DFT grid
+""",
+)
+
+entry(
+    index=26,
+    label="NNHO",
+    molecule="""
+multiplicity 2
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,D} {4,S}
+3 N u1 p1 c0 {2,D}
+4 H u0 p0 c0 {2,S}
+""",
+    thermo=ThermoData(
+        H298=(314.539, 'kJ/mol'),
+        S298=(249.927, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([40.7911, 46.1714, 51.3893, 55.9525, 62.8104, 67.6941, 74.5841, 77.6688, 79.5715], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=27,
+    label="NH2NO",
+    molecule="""
+1 O u0 p2 c0 {3,D}
+2 N u0 p1 c0 {3,S} {4,S} {5,S}
+3 N u0 p1 c0 {1,D} {2,S}
+4 H u0 p0 c0 {2,S}
+5 H u0 p0 c0 {2,S}
+""",
+    thermo=ThermoData(
+        H298=(76.11, 'kJ/mol'),
+        S298=(259.989, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([55.486, 62.0136, 67.6695, 72.5677, 80.4224, 86.1879, 94.7048, 99.1279, 102.066], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(103.931, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=28,
+    label="N2H3O",
+    molecule="""
+multiplicity 2
+1 O u0 p3 c-1 {2,S}
+2 N u1 p0 c+1 {1,S} {3,S} {4,S}
+3 N u0 p1 c0 {2,S} {5,S} {6,S}
+4 H u0 p0 c0 {2,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {3,S}
+""",
+    thermo=ThermoData(
+        H298=(148.685, 'kJ/mol'),
+        S298=(277.07, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([55.7533, 65.2439, 73.4606, 80.4352, 91.4434, 99.3367, 110.622, 116.589, 120.949], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(128.874, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=29,
+    label="NH2NOH",
+    molecule="""
+multiplicity 2
+1 N u0 p1 c0 {2,S} {4,S} {5,S}
+2 N u1 p1 c0 {1,S} {3,S}
+3 O u0 p2 c0 {2,S} {6,S}
+4 H u0 p0 c0 {1,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {3,S}
+""",
+    thermo=ThermoData(
+        H298=(138.856, 'kJ/mol'),
+        S298=(278.986, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([60.4127, 71.2073, 80.0224, 86.7586, 96.5672, 103.071, 111.093, 115.157, 118.883], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(124.717, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+
+NH2 rotor scan not smooth, need to consider a strongly-coupled inversion mode (OH rotor is smooth)
+""",
+)
+
+entry(
+    index=30,
+    label="NH2ONH2",
+    molecule="""
+1 N u0 p1 c0 {2,S} {4,S} {5,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u0 p1 c0 {2,S} {6,S} {7,S}
+4 H u0 p0 c0 {1,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    thermo=ThermoData(
+        H298=(132.176, 'kJ/mol'),
+        S298=(271.509, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([70.0806, 82.3798, 91.4104, 98.1337, 108.669, 116.326, 127.924, 135.008, 140.345], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(149.66, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=31,
+    label="NO2",
+    molecule="""
+multiplicity 2
+1 O u1 p2 c0 {2,S}
+2 N u0 p1 c0 {1,S} {3,D}
+3 O u0 p2 c0 {2,D}
+""",
+    thermo=ThermoData(
+        H298=(34.071, 'kJ/mol'),
+        S298=(239.979, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([37.1699, 40.2433, 43.2638, 45.9116, 49.7122, 52.1859, 55.2851, 56.378, 57.0702], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(58.2013, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=32,
+    label="cNOO",
+    molecule="""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u1 p1 c0 {1,S} {2,S}
+""",
+    thermo=ThermoData(
+        H298=(352.6, 'kJ/mol'),
+        S298=(244.388, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([40.4759, 44.7168, 47.9996, 50.2095, 53.1141, 54.9062, 56.6267, 57.1019, 57.713], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(58.2013, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=33,
+    label="HONO",
+    molecule="""
+1 O u0 p2 c0 {2,S} {4,S}
+2 N u0 p1 c0 {1,S} {3,D}
+3 O u0 p2 c0 {2,D}
+4 H u0 p0 c0 {1,S}
+""",
+    thermo=ThermoData(
+        H298=(-79.113, 'kJ/mol',),
+        S298=(248.643, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([45.8098, 51.9118, 56.401, 59.8886, 65.3399, 69.1903, 74.5339, 77.3021, 79.4347], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=34,
+    label="HONOH",
+    molecule="""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {4,S}
+2 N u1 p1 c0 {1,S} {3,S}
+3 O u0 p2 c0 {2,S} {5,S}
+4 H u0 p0 c0 {1,S}
+5 H u0 p0 c0 {3,S}
+""",
+    thermo=ThermoData(
+        H298=(-0.665543, 'kJ/mol',),
+        S298=(274.714, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([56.0159, 63.9807, 69.889, 73.9757, 79.7937, 83.6851, 88.8169, 92.008, 94.9841], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(99.7737, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=35,
+    label="HNO2",
+    molecule="""
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,D} {4,S}
+3 O u0 p2 c0 {2,D}
+4 H u0 p0 c0 {2,S}
+""",
+    thermo=ThermoData(
+        H298=(-43.5, 'kJ/mol',),
+        S298=(238.267, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([39.0565, 44.1857, 49.4298, 54.2374, 61.6382, 66.7489, 74.0267, 77.2858, 79.2742], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=36,
+    label="N2O2",
+    molecule="""
+1 O u0 p2 c0 {2,D}
+2 N u0 p1 c0 {1,D} {3,S}
+3 N u0 p1 c0 {2,S} {4,D}
+4 O u0 p2 c0 {3,D}
+""",
+    thermo=ThermoData(
+        H298=(171.17, 'kJ/mol'),
+        S298=(275.823, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([65.2315, 70.4384, 72.3074, 73.4635, 75.0276, 75.8914, 76.7608, 77.6623, 78.6564], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(78.9875, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124  ###**** note trans
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+
+This is cis-N2O2, trans-N2O2 is higher in energy.
+""",
+)
+
+entry(
+    index=37,
+    label="NNO2(S)",
+    molecule="""
+multiplicity 1
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,D} {4,S}
+3 O u0 p2 c0 {2,D}
+4 N u0 p2 c0 {2,S}
+""",
+    thermo=ThermoData(
+        H298=(372.479, 'kJ/mol'),
+        S298=(263.92, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([50.7842, 57.5314, 62.8916, 66.8341, 72.3365, 75.769, 79.3031, 80.6367, 82.0467], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=38,
+    label="NNO2(T)",
+    molecule="""
+multiplicity 3
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,D} {4,S}
+3 O u0 p2 c0 {2,D}
+4 N u2 p1 c0 {2,S}
+""",
+    thermo=ThermoData(
+        H298=(459.058, 'kJ/mol'),
+        S298=(264.486, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([46.4353, 53.6931, 59.0586, 62.5326, 67.1378, 69.9115, 72.4426, 73.248, 74.5276], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=39,
+    label="cNNOO",
+    molecule="""
+1 N u0 p1 c0 {2,D} {4,S}
+2 N u0 p1 c0 {1,D} {3,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u0 p2 c0 {1,S} {3,S}
+""",
+    thermo=ThermoData(
+        H298=(348.419, 'kJ/mol'),
+        S298=(251.15, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([45.6698, 53.7324, 60.4607, 65.3245, 71.5521, 75.4741, 79.513, 80.6773, 81.9097], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=40,
+    label="NNOO",
+    molecule="""
+1 O u0 p3 c-1 {2,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u0 p0 c+1 {2,S} {4,T}
+4 N u0 p1 c0 {3,T}
+""",
+    thermo=ThermoData(
+        H298=(445.583, 'kJ/mol'),
+        S298=(271.454, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([55.9283, 61.9728, 65.8443, 68.7548, 73.0924, 75.909, 79.181, 80.6562, 81.9262], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=41,
+    label="NH2NO2H",
+    molecule="""
+multiplicity 2
+1 O u0 p3 c-1 {2,S}
+2 N u1 p0 c+1 {1,S} {3,S} {4,S}
+3 O u0 p2 c0 {2,S} {5,S}
+4 N u0 p1 c0 {2,S} {6,S} {7,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {4,S}
+""",
+    thermo=ThermoData(
+        H298=(84.8018, 'kJ/mol'),
+        S298=(312.012, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([76.5726, 85.8304, 93.2681, 99.4322, 109.396, 117.217, 129.571, 136.123, 140.23], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(149.66, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=42,
+    label="NH2NO2",
+    molecule="""
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,D} {4,S}
+3 O u0 p2 c0 {2,D}
+4 N u0 p1 c0 {2,S} {5,S} {6,S}
+5 H u0 p0 c0 {4,S}
+6 H u0 p0 c0 {4,S}
+""",
+    thermo=ThermoData(
+        H298=(6.10281, 'kJ/mol'),
+        S298=(273.195, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([61.8202, 72.8238, 81.6939, 88.5763, 99.063, 106.359, 116.211, 121.182, 124.806], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(128.874, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=43,
+    label="NH2ONO",
+    molecule="""
+1 N u0 p1 c0 {2,S} {5,S} {6,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u0 p1 c0 {2,S} {4,D}
+4 O u0 p2 c0 {3,D}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {1,S}
+""",
+    thermo=ThermoData(
+        H298=(100.11, 'kJ/mol'),
+        S298=(286.213, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([75.0041, 83.8873, 89.5976, 94.3951, 101.983, 107.451, 115.376, 119.564, 122.174], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(124.717, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=44,
+    label="NH2NHOO",
+    molecule="""
+multiplicity 2
+1 N u0 p1 c0 {2,S} {5,S} {6,S}
+2 N u0 p1 c0 {1,S} {3,S} {7,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u1 p2 c0 {3,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {1,S}
+7 H u0 p0 c0 {2,S}
+""",
+    thermo=ThermoData(
+        H298=(236.245, 'kJ/mol'),
+        S298=(311.122, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([69.7485, 80.35, 89.5262, 97.4326, 110.011, 119.143, 132.462, 139.517, 144.458], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(153.818, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298, S298, and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=45,
+    label="NO3",
+    molecule="""
+multiplicity 2
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,D} {4,S}
+3 O u0 p2 c0 {2,D}
+4 O u1 p2 c0 {2,S}
+""",
+    thermo=ThermoData(
+        H298=(74.14, 'kJ/mol'),
+        S298=(256.953, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([51.6024, 58.5626, 64.0258, 67.9827, 73.425, 76.7446, 79.9253, 80.9943, 82.2969], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(83.1447, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//wB97xd/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=46,
+    label="HNO3",
+    molecule="""
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,D} {4,S}
+3 O u0 p2 c0 {2,D}
+4 O u0 p2 c0 {2,S} {5,S}
+5 H u0 p0 c0 {4,S}
+""",
+    thermo=ThermoData(
+        H298=(-134.18, 'kJ/mol',),
+        S298=(266.61, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([53.8927, 64.2395, 72.1265, 77.865, 86.3276, 91.8509, 98.0493, 100.203, 102.028], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(103.931, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124  ###**** note trans
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=47,
+    label="N2O3",
+    molecule="""
+1 O u0 p2 c0 {2,D}
+2 N u0 p1 c0 {1,D} {3,S}
+3 N u0 p0 c+1 {2,S} {4,D} {5,S}
+4 O u0 p2 c0 {3,D}
+5 O u0 p3 c-1 {3,S}
+""",
+    thermo=ThermoData(
+        H298=(86.19, 'kJ/mol'),
+        S298=(301.625, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([71.3756, 78.1566, 83.3362, 87.5559, 93.6235, 97.2848, 100.678, 101.762, 103.133], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(103.931, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=48,
+    label="ONONO2",
+    molecule="""
+1 O u0 p2 c0 {2,D}
+2 N u0 p1 c0 {1,D} {3,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 N u0 p0 c+1 {3,S} {5,D} {6,S}
+5 O u0 p2 c0 {4,D}
+6 O u0 p3 c-1 {4,S}
+""",
+    thermo=ThermoData(
+        H298=(40.4, 'kJ/mol'),
+        S298=(342.823, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([80.9957, 90.0269, 97.4832, 103.57, 112.362, 117.726, 122.947, 124.886, 127.157], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(128.874, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)
+
+entry(
+    index=49,
+    label="N2O4",
+    molecule="""
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,D} {4,S}
+3 O u0 p2 c0 {2,D}
+4 N u0 p0 c+1 {2,S} {5,D} {6,S}
+5 O u0 p2 c0 {4,D}
+6 O u0 p3 c-1 {4,S}
+""",
+    thermo=ThermoData(
+        H298=(10.90, 'kJ/mol'),
+        S298=(303.947, 'J/(mol*K)'),
+        Tdata=([300, 400, 500, 600, 800, 1000, 1500, 2000, 2500], 'K'),
+        Cpdata=([79.1064, 90.4791, 98.8874, 105.076, 114.023, 119.651, 125.257, 126.617, 127.94], 'J/(mol*K)'),
+        Cp0=(33.2579, 'J/(mol*K)'),
+        CpInf=(128.874, 'J/(mol*K)'),
+        Tmin=(298, 'K'),
+        Tmax=(2500, 'K'),
+    ),
+    shortDesc=u"""""",
+    longDesc=u"""
+H298 from ATcT 1.124
+S298 and Cp from a 1DHR RRHO CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ level of theory computation
+""",
+)