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	hartrees
Energy at 0K	-116.492614
Energy at 298.15K
HF Energy	-115.873302
Nuclear repulsion energy	64.208571

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.857
C2	0.000	0.643	-0.497
C3	0.000	-0.643	-0.497
H4	0.000	1.569	-1.033
H5	0.000	-1.569	-1.033
H6	0.908	0.000	1.446
H7	-0.908	0.000	1.446

	C1	C2	C3	H4	H5	H6	H7
C1		1.4996	1.4996	2.4564	2.4564	1.0827	1.0827
C2	1.4996		1.2867	1.0695	2.2765	2.2400	2.2400
C3	1.4996	1.2867		2.2765	1.0695	2.2400	2.2400
H4	2.4564	1.0695	2.2765		3.1387	3.0714	3.0714
H5	2.4564	2.2765	1.0695	3.1387		3.0714	3.0714
H6	1.0827	2.2400	2.2400	3.0714	3.0714		1.8165
H7	1.0827	2.2400	2.2400	3.0714	3.0714	1.8165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.594	C1	C2	H4	145.432
C1	C3	C2	64.594	C1	C3	H5	145.432
C2	C1	C3	50.812	C2	C1	H6	119.448
C2	C1	H7	119.448	C2	C3	H5	149.974
C3	C1	H6	119.448	C3	C1	H7	119.448
C3	C2	H4	149.974	H6	C1	H7	114.051

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CCSD=FULL/cc-pVQZ

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/cc-pVQZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)