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	hartrees
Energy at 0K	-115.635532
Energy at 298.15K	-115.637308
HF Energy	-115.207178
Nuclear repulsion energy	57.948711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3186	0.93
2	A'	3162	2986	39.43
3	A'	1639	1548	0.29
4	A'	1266	1196	8.67
5	A'	1031	974	16.66
6	A'	949	896	6.04
7	A'	641	605	54.53
8	A"	5000	4722	81022.46
9	A"	3045	2876	3876.92
10	A"	1024	967	16.22
11	A"	994	939	0.12
12	A"	896	846	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.887	0.000
H2	0.746	1.643	0.000
C3	-0.037	-0.418	0.660
C4	-0.037	-0.418	-0.660
H5	-0.038	-0.977	1.577
H6	-0.038	-0.977	-1.577

	C1	H2	C3	C4	H5	H6
C1		1.0884	1.4619	1.4619	2.4417	2.4417
H2	1.0884		2.3010	2.3010	3.1568	3.1568
C3	1.4619	2.3010		1.3192	1.0745	2.3054
C4	1.4619	2.3010	1.3192		2.3054	1.0745
H5	2.4417	3.1568	1.0745	2.3054		3.1537
H6	2.4417	3.1568	2.3054	1.0745	3.1537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.181	C1	C3	H5	148.203
C1	C4	C3	63.181	C1	C4	H6	148.203
H2	C1	C3	128.305	H2	C1	C4	128.305
C3	C1	C4	53.638	C3	C4	H6	148.616
C4	C3	H5	148.616

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

using model chemistry: MP2/6-31G(2df,p)

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

using model chemistry: MP2/6-31G(2df,p)

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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