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	hartrees
Energy at 0K	-115.550378
Energy at 298.15K	-115.552017
HF Energy	-115.188144
Nuclear repulsion energy	57.829706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3363	3363
2	A'	3147	3147
3	A'	1663	1663
4	A'	1285	1285
5	A'	1061	1061
6	A'	957	957
7	A'	590	590
8	A"	3321	3321
9	A"	1083	1083
10	A"	1022	1022
11	A"	854	854
12	A"	794	794

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.888	0.000
H2	0.749	1.647	0.000
C3	-0.037	-0.418	0.661
C4	-0.037	-0.418	-0.661
H5	-0.039	-0.981	1.581
H6	-0.039	-0.981	-1.581

	C1	H2	C3	C4	H5	H6
C1		1.0925	1.4638	1.4638	2.4486	2.4486
H2	1.0925		2.3058	2.3058	3.1667	3.1667
C3	1.4638	2.3058		1.3216	1.0793	2.3119
C4	1.4638	2.3058	1.3216		2.3119	1.0793
H5	2.4486	3.1667	1.0793	2.3119		3.1628
H6	2.4486	3.1667	2.3119	1.0793	3.1628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.164	C1	C3	H5	148.298
C1	C4	C3	63.164	C1	C4	H6	148.298
H2	C1	C3	128.267	H2	C1	C4	128.267
C3	C1	C4	53.671	C3	C4	H6	148.537
C4	C3	H5	148.537

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

using model chemistry: ROMP2/6-31G*

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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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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Number	Element	Mulliken
1	C	-0.199
2	H	0.153
3	C	-0.195
4	C	-0.195
5	H	0.218
6	H	0.218

<r²>	33.302
(<r²>)^1/2	5.771

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

using model chemistry: ROMP2/6-31G*

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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