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	hartrees
Energy at 0K	-115.713801
Energy at 298.15K	-115.715609
HF Energy	-115.218857
Nuclear repulsion energy	57.534288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3536	3400
2	A'	3102	2982
3	A'	2548	2450
4	A'	1213	1166
5	A'	977	939
6	A'	937	901
7	A'	596	573
8	A"	4295	4129
9	A"	2860	2750
10	A"	1525	1466
11	A"	1256	1208
12	A"	866	832

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.896	0.000
H2	0.749	1.656	0.000
C3	-0.037	-0.422	0.663
C4	-0.037	-0.422	-0.663
H5	-0.042	-0.985	1.585
H6	-0.042	-0.985	-1.585

	C1	H2	C3	C4	H5	H6
C1		1.0938	1.4747	1.4747	2.4595	2.4595
H2	1.0938		2.3180	2.3180	3.1799	3.1799
C3	1.4747	2.3180		1.3269	1.0803	2.3181
C4	1.4747	2.3180	1.3269		2.3181	1.0803
H5	2.4595	3.1799	1.0803	2.3181		3.1701
H6	2.4595	3.1799	2.3181	1.0803	3.1701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.263	C1	C3	H5	148.186
C1	C4	C3	63.263	C1	C4	H6	148.186
H2	C1	C3	128.362	H2	C1	C4	128.362
C3	C1	C4	53.474	C3	C4	H6	148.550
C4	C3	H5	148.550

All results from a given calculation for C₃H₃ (cyclopropenyl radical)

using model chemistry: MP4=FULL/6-311G**

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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HF vs MP2 Bad vib. Calc. vs exp. 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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C3H3 (cyclopropenyl radical)

using model chemistry: MP4=FULL/6-311G**

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

All results from a given calculation for C₃H₃ (cyclopropenyl radical)