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	hartrees
Energy at 0K	-115.615796
Energy at 298.15K
HF Energy	-115.200721
Nuclear repulsion energy	57.044577

Atom	x (Å)	y (Å)	z (Å)
C1	-0.039	0.902	0.000
H2	0.758	1.669	0.000
C3	-0.039	-0.424	0.669
C4	-0.039	-0.424	-0.669
H5	-0.032	-0.997	1.598
H6	-0.032	-0.997	-1.598

	C1	H2	C3	C4	H5	H6
C1		1.1056	1.4859	1.4859	2.4827	2.4827
H2	1.1056		2.3373	2.3373	3.2074	3.2074
C3	1.4859	2.3373		1.3389	1.0915	2.3391
C4	1.4859	2.3373	1.3389		2.3391	1.0915
H5	2.4827	3.2074	1.0915	2.3391		3.1967
H6	2.4827	3.2074	2.3391	1.0915	3.1967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.222	C1	C3	H5	148.453
C1	C4	C3	63.222	C1	C4	H6	148.453
H2	C1	C3	128.225	H2	C1	C4	128.225
C3	C1	C4	53.556	C3	C4	H6	148.321
C4	C3	H5	148.321

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

using model chemistry: MP4/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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All results from a given calculation for C3H3 (cyclopropenyl radical)

using model chemistry: MP4/cc-pVDZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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