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	hartrees
Energy at 0K	-115.589794
Energy at 298.15K	-115.591369
HF Energy	-115.201421
Nuclear repulsion energy	57.258670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3329	3329
2	A'	3119	3119
3	A'	1603	1603
4	A'	1236	1236
5	A'	981	981
6	A'	915	915
7	A'	565	565
8	A"	3288	3288
9	A"	1036	1036
10	A"	969	969
11	A"	814	814
12	A"	752	752

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.895	0.000
H2	0.744	1.670	0.000
C3	-0.037	-0.421	0.670
C4	-0.037	-0.421	-0.670
H5	-0.040	-0.993	1.594
H6	-0.040	-0.993	-1.594

	C1	H2	C3	C4	H5	H6
C1		1.0999	1.4771	1.4771	2.4714	2.4714
H2	1.0999		2.3304	2.3304	3.2012	3.2012
C3	1.4771	2.3304		1.3391	1.0871	2.3347
C4	1.4771	2.3304	1.3391		2.3347	1.0871
H5	2.4714	3.2012	1.0871	2.3347		3.1881
H6	2.4714	3.2012	2.3347	1.0871	3.1881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.047	C1	C3	H5	148.694
C1	C4	C3	63.047	C1	C4	H6	148.694
H2	C1	C3	128.868	H2	C1	C4	128.868
C3	C1	C4	53.906	C3	C4	H6	148.258
C4	C3	H5	148.258

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

using model chemistry: ROMP2/aug-cc-pVDZ

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	0.085
2	H	-0.270
3	C	0.328
4	C	0.328
5	H	-0.236
6	H	-0.236

<r²>	34.051
(<r²>)^1/2	5.835

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

using model chemistry: ROMP2/aug-cc-pVDZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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