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	hartrees
Energy at 0K	-114.775013
Energy at 298.15K
HF Energy	-114.527239
Nuclear repulsion energy	57.287066

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.916	0.000
H2	0.752	1.660	0.000
C3	-0.037	-0.430	0.659
C4	-0.037	-0.430	-0.659
H5	-0.042	-0.997	1.567
H6	-0.042	-0.997	-1.567

	C1	H2	C3	C4	H5	H6
C1		1.0848	1.4988	1.4988	2.4734	2.4734
H2	1.0848		2.3294	2.3294	3.1858	3.1858
C3	1.4988	2.3294		1.3183	1.0708	2.2975
C4	1.4988	2.3294	1.3183		2.2975	1.0708
H5	2.4734	3.1858	1.0708	2.2975		3.1344
H6	2.4734	3.1858	2.2975	1.0708	3.1344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.910	C1	C3	H5	148.088
C1	C4	C3	63.910	C1	C4	H6	148.088
H2	C1	C3	128.020	H2	C1	C4	128.020
C3	C1	C4	52.179	C3	C4	H6	148.000
C4	C3	H5	148.000

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

using model chemistry: CID/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: CID/3-21G*

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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