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	hartrees
Energy at 0K	-116.323016
Energy at 298.15K
HF Energy	-115.866963
Nuclear repulsion energy	64.270003

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.857
C2	0.000	0.642	-0.498
C3	0.000	-0.642	-0.498
H4	0.000	1.567	-1.032
H5	0.000	-1.567	-1.032
H6	0.907	0.000	1.447
H7	-0.907	0.000	1.447

	C1	C2	C3	H4	H5	H6	H7
C1		1.4995	1.4995	2.4547	2.4547	1.0814	1.0814
C2	1.4995		1.2836	1.0683	2.2723	2.2395	2.2395
C3	1.4995	1.2836		2.2723	1.0683	2.2395	2.2395
H4	2.4547	1.0683	2.2723		3.1334	3.0696	3.0696
H5	2.4547	2.2723	1.0683	3.1334		3.0696	3.0696
H6	1.0814	2.2395	2.2395	3.0696	3.0696		1.8133
H7	1.0814	2.2395	2.2395	3.0696	3.0696	1.8133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.659	C1	C2	H4	145.366
C1	C3	C2	64.659	C1	C3	H5	145.366
C2	C1	C3	50.683	C2	C1	H6	119.508
C2	C1	H7	119.508	C2	C3	H5	149.975
C3	C1	H6	119.508	C3	C1	H7	119.508
C3	C2	H4	149.975	H6	C1	H7	113.952

All results from a given calculation for C₃H₄ (cyclopropene)

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

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)