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	hartrees
Energy at 0K	-116.381169
Energy at 298.15K
HF Energy	-115.866152
Nuclear repulsion energy	63.862160

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.863
C2	0.000	0.647	-0.500
C3	0.000	-0.647	-0.500
H4	0.000	1.576	-1.038
H5	0.000	-1.576	-1.038
H6	0.912	0.000	1.453
H7	-0.912	0.000	1.453

	C1	C2	C3	H4	H5	H6	H7
C1		1.5090	1.5090	2.4697	2.4697	1.0864	1.0864
C2	1.5090		1.2941	1.0739	2.2877	2.2507	2.2507
C3	1.5090	1.2941		2.2877	1.0739	2.2507	2.2507
H4	2.4697	1.0739	2.2877		3.1529	3.0859	3.0859
H5	2.4697	2.2877	1.0739	3.1529		3.0859	3.0859
H6	1.0864	2.2507	2.2507	3.0859	3.0859		1.8247
H7	1.0864	2.2507	2.2507	3.0859	3.0859	1.8247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.608	C1	C2	H4	145.456
C1	C3	C2	64.608	C1	C3	H5	145.456
C2	C1	C3	50.784	C2	C1	H6	119.372
C2	C1	H7	119.372	C2	C3	H5	149.936
C3	C1	H6	119.372	C3	C1	H7	119.372
C3	C2	H4	149.936	H6	C1	H7	114.234

All results from a given calculation for C₃H₄ (cyclopropene)

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

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)