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	hartrees
Energy at 0K	-194.991439
Energy at 298.15K
HF Energy	-194.010941
Nuclear repulsion energy	163.954102

Atom	x (Å)	y (Å)	z (Å)
C1	-0.393	0.289	0.000
C2	0.253	-1.030	0.000
C3	-0.387	-2.194	0.000
C4	0.253	1.423	0.748
C5	0.253	1.423	-0.748
H6	-1.472	0.272	0.000
H7	1.336	-1.024	0.000
H8	0.150	-3.130	0.000
H9	-1.466	-2.240	0.000
H10	-0.393	2.118	1.258
H11	1.182	1.211	1.253
H12	-0.393	2.118	-1.258
H13	1.182	1.211	-1.253

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4685	2.4831	1.5046	1.5046	1.0789	2.1706	3.4610	2.7464	2.2204	2.2138	2.2204	2.2138
C2	1.4685		1.3285	2.5646	2.5646	2.1609	1.0830	2.1019	2.1018	3.4514	2.7305	3.4514	2.7305
C3	2.4831	1.3285		3.7489	3.7489	2.6942	2.0829	1.0781	1.0802	4.4925	3.9533	4.4925	3.9533
C4	1.5046	2.5646	3.7489		1.4959	2.2047	2.7781	4.6147	4.1144	1.0773	1.0781	2.2191	2.2158
C5	1.5046	2.5646	3.7489	1.4959		2.2047	2.7781	4.6147	4.1144	2.2191	2.2158	1.0773	1.0781
H6	1.0789	2.1609	2.6942	2.2047	2.2047		3.0922	3.7680	2.5111	2.4815	3.0814	2.4815	3.0814
H7	2.1706	1.0830	2.0829	2.7781	2.7781	3.0922		2.4170	3.0544	3.8003	2.5666	3.8003	2.5666
H8	3.4610	2.1019	1.0781	4.6147	4.6147	3.7680	2.4170		1.8447	5.4237	4.6343	5.4237	4.6343
H9	2.7464	2.1018	1.0802	4.1144	4.1144	2.5111	3.0544	1.8447		4.6610	4.5264	4.6610	4.5264
H10	2.2204	3.4514	4.4925	1.0773	2.2191	2.4815	3.8003	5.4237	4.6610		1.8172	2.5160	3.0992
H11	2.2138	2.7305	3.9533	1.0781	2.2158	3.0814	2.5666	4.6343	4.5264	1.8172		3.0992	2.5051
H12	2.2204	3.4514	4.4925	2.2191	1.0773	2.4815	3.8003	5.4237	4.6610	2.5160	3.0992		1.8172
H13	2.2138	2.7305	3.9533	2.2158	1.0781	3.0814	2.5666	4.6343	4.5264	3.0992	2.5051	1.8172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.111	C1	C2	H7	115.757
C1	C4	C5	60.190	C1	C4	H10	117.681
C1	C4	H11	117.044	C1	C5	C4	60.190
C1	C5	H12	117.681	C1	C5	H13	117.044
C2	C1	C4	119.214	C2	C1	C5	119.214
C2	C1	H6	115.195	C2	C3	H8	121.367
C2	C3	H9	121.180	C3	C2	H7	119.132
C4	C1	H6	116.192	C4	C5	H12	118.257
C4	C5	H13	117.908	C5	C1	H6	116.192
C5	C4	H10	118.257	C5	C4	H11	117.908
H8	C3	H9	117.453	H10	C4	H11	114.936
H12	C5	H13	114.936

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCSD=FULL/aug-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 C5H8 (Ethenylcyclopropane)

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

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)