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	hartrees
Energy at 0K	-115.708188
Energy at 298.15K	-115.709950
HF Energy	-115.235772
Nuclear repulsion energy	58.090229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3186	1.07
2	A'	3126	2992	37.84
3	A'	1672	1600	1.34
4	A'	1252	1198	6.74
5	A'	995	952	16.20
6	A'	939	898	3.37
7	A'	621	594	68.64
8	A"	3369	3224	524.59
9	A"	2033	1946	2205.41
10	A"	1018	974	11.13
11	A"	1004	961	1.05
12	A"	891	853	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.036	0.886	0.000
H2	0.729	1.657	0.000
C3	-0.036	-0.418	0.656
C4	-0.036	-0.418	-0.656
H5	-0.042	-0.977	1.573
H6	-0.042	-0.977	-1.573

	C1	H2	C3	C4	H5	H6
C1		1.0861	1.4595	1.4595	2.4381	2.4381
H2	1.0861		2.3068	2.3068	3.1633	3.1633
C3	1.4595	2.3068		1.3115	1.0739	2.2975
C4	1.4595	2.3068	1.3115		2.2975	1.0739
H5	2.4381	3.1633	1.0739	2.2975		3.1454
H6	2.4381	3.1633	2.2975	1.0739	3.1454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.302	C1	C3	H5	148.068
C1	C4	C3	63.302	C1	C4	H6	148.068
H2	C1	C3	129.379	H2	C1	C4	129.379
C3	C1	C4	53.397	C3	C4	H6	148.627
C4	C3	H5	148.627

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

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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