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	hartrees
Energy at 0K	-115.620420
Energy at 298.15K	-115.622057
HF Energy	-115.225909
Nuclear repulsion energy	58.070125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3360	3360
2	A'	3145	3145
3	A'	1642	1642
4	A'	1262	1262
5	A'	1021	1021
6	A'	950	950
7	A'	589	589
8	A"	3317	3317
9	A"	1070	1070
10	A"	1009	1009
11	A"	859	859
12	A"	771	771

Atom	x (Å)	y (Å)	z (Å)
C1	-0.035	0.883	0.000
H2	0.736	1.650	0.000
C3	-0.035	-0.416	0.659
C4	-0.035	-0.416	-0.659
H5	-0.054	-0.977	1.575
H6	-0.054	-0.977	-1.575

	C1	H2	C3	C4	H5	H6
C1		1.0869	1.4571	1.4571	2.4373	2.4373
H2	1.0869		2.3017	2.3017	3.1630	3.1630
C3	1.4571	2.3017		1.3170	1.0741	2.3025
C4	1.4571	2.3017	1.3170		2.3025	1.0741
H5	2.4373	3.1630	1.0741	2.3025		3.1493
H6	2.4373	3.1630	2.3025	1.0741	3.1493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.133	C1	C3	H5	148.306
C1	C4	C3	63.133	C1	C4	H6	148.306
H2	C1	C3	128.997	H2	C1	C4	128.997
C3	C1	C4	53.734	C3	C4	H6	148.530
C4	C3	H5	148.530

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

using model chemistry: ROMP2/TZVP

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	-0.161
2	H	0.091
3	C	-0.120
4	C	-0.120
5	H	0.155
6	H	0.155

<r²>	33.346
(<r²>)^1/2	5.775

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

using model chemistry: ROMP2/TZVP

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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