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	hartrees
Energy at 0K	-115.222771
Energy at 298.15K
HF Energy	-115.222771
Nuclear repulsion energy	58.677865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3521	3191	6.35
2	A₁	3453	3130	1.62
3	A₁	1770	1604	2.10
4	A₁	1314	1191	1.97
5	A₁	1019	924	9.34
6	A₂	972	881	0.00
7	B₁	650	589	92.46
8	B₁	1105i	1001i	81.23
9	B₂	3908	3542	12476.59
10	B₂	2881	2611	6165.29
11	B₂	1120	1015	3.80
12	B₂	970	879	18.53

Atom	y (Å)	z (Å)
C1	0.000	0.846
C2	0.645	-0.418
C3	-0.645	-0.418
H4	0.000	1.905
H5	1.544	-0.986
H6	-1.544	-0.986

	C1	C2	C3	H4	H5	H6
C1		1.4192	1.4192	1.0585	2.3967	2.3967
C2	1.4192		1.2908	2.4105	1.0637	2.2624
C3	1.4192	1.2908		2.4105	2.2624	1.0637
H4	1.0585	2.4105	2.4105		3.2779	3.2779
H5	2.3967	1.0637	2.2624	3.2779		3.0886
H6	2.3967	2.2624	1.0637	3.2779	3.0886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	11.519	C1	C3	H5	77.513
C1	C4	C3	15.531	C1	C4	H6	28.107
H2	C1	C3	54.099	H2	C1	C4	152.950
C3	C1	C4	152.950	C3	C4	H6	12.576
C4	C3	H5	89.032

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

using model chemistry: HF/Def2TZVPP

States and conformations

	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	-0.243
2	C	-0.115
3	C	-0.115
4	H	0.176
5	H	0.149
6	H	0.149

	x	y	z	Total
	0.000	0.000	-0.787	0.787
CHELPG
AIM
ESP

<r²>	33.097
(<r²>)^1/2	5.753

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

using model chemistry: HF/Def2TZVPP

States and conformations

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