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	hartrees
Energy at 0K	-115.639979
Energy at 298.15K	-115.641733
HF Energy	-115.229708
Nuclear repulsion energy	58.114327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3361	3187	0.63
2	A'	3141	2977	45.25
3	A'	1690	1602	1.12
4	A'	1260	1195	8.99
5	A'	1026	973	11.97
6	A'	956	906	5.14
7	A'	600	569	80.51
8	A"	3522	3339	3312.56
9	A"	2446	2319	5410.48
10	A"	1032	978	13.79
11	A"	1016	963	0.59
12	A"	863	818	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.035	0.886	0.000
H2	0.733	1.655	0.000
C3	-0.035	-0.418	0.655
C4	-0.035	-0.418	-0.655
H5	-0.052	-0.976	1.572
H6	-0.052	-0.976	-1.572

	C1	H2	C3	C4	H5	H6
C1		1.0869	1.4594	1.4594	2.4371	2.4371
H2	1.0869		2.3059	2.3059	3.1640	3.1640
C3	1.4594	2.3059		1.3099	1.0738	2.2961
C4	1.4594	2.3059	1.3099		2.2961	1.0738
H5	2.4371	3.1640	1.0738	2.2961		3.1445
H6	2.4371	3.1640	2.2961	1.0738	3.1445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.334	C1	C3	H5	147.963
C1	C4	C3	63.334	C1	C4	H6	147.963
H2	C1	C3	129.229	H2	C1	C4	129.229
C3	C1	C4	53.331	C3	C4	H6	148.680
C4	C3	H5	148.680

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

using model chemistry: CCD/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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All results from a given calculation for C3H3 (cyclopropenyl radical)

using model chemistry: CCD/TZVP

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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