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	hartrees
Energy at 0K	-114.813474
Energy at 298.15K
HF Energy	-114.525196
Nuclear repulsion energy	56.751213

Atom	x (Å)	y (Å)	z (Å)
C1	-0.038	0.925	0.000
H2	0.764	1.665	0.000
C3	-0.038	-0.434	0.667
C4	-0.038	-0.434	-0.667
H5	-0.042	-1.007	1.579
H6	-0.042	-1.007	-1.579

	C1	H2	C3	C4	H5	H6
C1		1.0909	1.5136	1.5136	2.4948	2.4948
H2	1.0909		2.3433	2.3433	3.2059	3.2059
C3	1.5136	2.3433		1.3343	1.0768	2.3178
C4	1.5136	2.3433	1.3343		2.3178	1.0768
H5	2.4948	3.2059	1.0768	2.3178		3.1573
H6	2.4948	3.2059	2.3178	1.0768	3.1573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.847	C1	C3	H5	148.314
C1	C4	C3	63.847	C1	C4	H6	148.314
H2	C1	C3	127.495	H2	C1	C4	127.495
C3	C1	C4	52.306	C3	C4	H6	147.838
C4	C3	H5	147.838

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

using model chemistry: MP4=FULL/3-21G

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=FULL/3-21G

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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