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	hartrees
Energy at 0K	-194.890056
Energy at 298.15K
HF Energy	-194.010580
Nuclear repulsion energy	163.359964

Atom	x (Å)	y (Å)	z (Å)
C1	-0.396	0.290	0.000
C2	0.255	-1.036	0.000
C3	-0.390	-2.201	0.000
C4	0.255	1.428	0.750
C5	0.255	1.428	-0.750
H6	-1.478	0.273	0.000
H7	1.342	-1.030	0.000
H8	0.145	-3.140	0.000
H9	-1.472	-2.245	0.000
H10	-0.391	2.127	1.262
H11	1.186	1.216	1.256
H12	-0.391	2.127	-1.262
H13	1.186	1.216	-1.256

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4764	2.4905	1.5112	1.5112	1.0819	2.1817	3.4717	2.7538	2.2288	2.2224	2.2288	2.2224
C2	1.4764		1.3320	2.5757	2.5757	2.1715	1.0867	2.1069	2.1087	3.4655	2.7412	3.4655	2.7412
C3	2.4905	1.3320		3.7617	3.7617	2.7026	2.0907	1.0809	1.0829	4.5078	3.9670	4.5078	3.9670
C4	1.5112	2.5757	3.7617		1.5009	2.2135	2.7904	4.6305	4.1281	1.0799	1.0807	2.2257	2.2221
C5	1.5112	2.5757	3.7617	1.5009		2.2135	2.7904	4.6305	4.1281	2.2257	2.2221	1.0799	1.0807
H6	1.0819	2.1715	2.7026	2.2135	2.2135		3.1060	3.7793	2.5185	2.4919	3.0925	2.4919	3.0925
H7	2.1817	1.0867	2.0907	2.7904	2.7904	3.1060		2.4254	3.0652	3.8153	2.5777	3.8153	2.5777
H8	3.4717	2.1069	1.0809	4.6305	4.6305	3.7793	2.4254		1.8485	5.4420	4.6510	5.4420	4.6510
H9	2.7538	2.1087	1.0829	4.1281	4.1281	2.5185	3.0652	1.8485		4.6772	4.5415	4.6772	4.5415
H10	2.2288	3.4655	4.5078	1.0799	2.2257	2.4919	3.8153	5.4420	4.6772		1.8212	2.5236	3.1073
H11	2.2224	2.7412	3.9670	1.0807	2.2221	3.0925	2.5777	4.6510	4.5415	1.8212		3.1073	2.5116
H12	2.2288	3.4655	4.5078	2.2257	1.0799	2.4919	3.8153	5.4420	4.6772	2.5236	3.1073		1.8212
H13	2.2224	2.7412	3.9670	2.2221	1.0807	3.0925	2.5777	4.6510	4.5415	3.1073	2.5116	1.8212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.867	C1	C2	H7	115.854
C1	C4	C5	60.224	C1	C4	H10	117.709
C1	C4	H11	117.088	C1	C5	C4	60.224
C1	C5	H12	117.709	C1	C5	H13	117.088
C2	C1	C4	119.107	C2	C1	C5	119.107
C2	C1	H6	115.297	C2	C3	H8	121.317
C2	C3	H9	121.320	C3	C2	H7	119.279
C4	C1	H6	116.235	C4	C5	H12	118.262
C4	C5	H13	117.877	C5	C1	H6	116.235
C5	C4	H10	118.262	C5	C4	H11	117.877
H8	C3	H9	117.363	H10	C4	H11	114.897
H12	C5	H13	114.897

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)