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	hartrees
Energy at 0K	-116.438792
Energy at 298.15K
HF Energy	-115.866640
Nuclear repulsion energy	64.100094

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.859
C2	0.000	0.645	-0.498
C3	0.000	-0.645	-0.498
H4	0.000	1.571	-1.034
H5	0.000	-1.571	-1.034
H6	0.910	0.000	1.447
H7	-0.910	0.000	1.447

	C1	C2	C3	H4	H5	H6	H7
C1		1.5031	1.5031	2.4603	2.4603	1.0827	1.0827
C2	1.5031		1.2894	1.0701	2.2798	2.2419	2.2419
C3	1.5031	1.2894		2.2798	1.0701	2.2419	2.2419
H4	2.4603	1.0701	2.2798		3.1426	3.0739	3.0739
H5	2.4603	2.2798	1.0701	3.1426		3.0739	3.0739
H6	1.0827	2.2419	2.2419	3.0739	3.0739		1.8194
H7	1.0827	2.2419	2.2419	3.0739	3.0739	1.8194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.602	C1	C2	H4	145.416
C1	C3	C2	64.602	C1	C3	H5	145.416
C2	C1	C3	50.796	C2	C1	H6	119.332
C2	C1	H7	119.332	C2	C3	H5	149.982
C3	C1	H6	119.332	C3	C1	H7	119.332
C3	C2	H4	149.982	H6	C1	H7	114.321

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CCSD=FULL/daug-cc-pVTZ

States and conformations

	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 C3H4 (cyclopropene)

using model chemistry: CCSD=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)