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	hartrees
Energy at 0K	-194.896097
Energy at 298.15K
HF Energy	-194.010413
Nuclear repulsion energy	163.244195

Atom	x (Å)	y (Å)	z (Å)
C1	-0.396	0.290	0.000
C2	0.255	-1.036	0.000
C3	-0.391	-2.203	0.000
C4	0.255	1.429	0.751
C5	0.255	1.429	-0.751
H6	-1.479	0.273	0.000
H7	1.342	-1.029	0.000
H8	0.146	-3.142	0.000
H9	-1.473	-2.248	0.000
H10	-0.391	2.128	1.263
H11	1.187	1.217	1.257
H12	-0.391	2.128	-1.263
H13	1.187	1.217	-1.257

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4767	2.4930	1.5122	1.5122	1.0825	2.1821	3.4744	2.7565	2.2301	2.2237	2.2301	2.2237
C2	1.4767		1.3344	2.5766	2.5766	2.1722	1.0871	2.1094	2.1110	3.4669	2.7422	3.4669	2.7422
C3	2.4930	1.3344		3.7651	3.7651	2.7048	2.0933	1.0813	1.0833	4.5115	3.9703	4.5115	3.9703
C4	1.5122	2.5766	3.7651		1.5019	2.2151	2.7909	4.6339	4.1317	1.0805	1.0813	2.2272	2.2234
C5	1.5122	2.5766	3.7651	1.5019		2.2151	2.7909	4.6339	4.1317	2.2272	2.2234	1.0805	1.0813
H6	1.0825	2.1722	2.7048	2.2151	2.2151		3.1069	3.7818	2.5208	2.4936	3.0944	2.4936	3.0944
H7	2.1821	1.0871	2.0933	2.7909	2.7909	3.1069		2.4283	3.0678	3.8164	2.5780	3.8164	2.5780
H8	3.4744	2.1094	1.0813	4.6339	4.6339	3.7818	2.4283		1.8494	5.4457	4.6542	5.4457	4.6542
H9	2.7565	2.1110	1.0833	4.1317	4.1317	2.5208	3.0678	1.8494		4.6810	4.5450	4.6810	4.5450
H10	2.2301	3.4669	4.5115	1.0805	2.2272	2.4936	3.8164	5.4457	4.6810		1.8221	2.5255	3.1092
H11	2.2237	2.7422	3.9703	1.0813	2.2234	3.0944	2.5780	4.6542	4.5450	1.8221		3.1092	2.5131
H12	2.2301	3.4669	4.5115	2.2272	1.0805	2.4936	3.8164	5.4457	4.6810	2.5255	3.1092		1.8221
H13	2.2237	2.7422	3.9703	2.2234	1.0813	3.0944	2.5780	4.6542	4.5450	3.1092	2.5131	1.8221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.876	C1	C2	H7	115.836
C1	C4	C5	60.226	C1	C4	H10	117.705
C1	C4	H11	117.082	C1	C5	C4	60.226
C1	C5	H12	117.705	C1	C5	H13	117.082
C2	C1	C4	119.092	C2	C1	C5	119.092
C2	C1	H6	115.296	C2	C3	H8	121.314
C2	C3	H9	121.299	C3	C2	H7	119.287
C4	C1	H6	116.252	C4	C5	H12	118.275
C4	C5	H13	117.878	C5	C1	H6	116.252
C5	C4	H10	118.275	C5	C4	H11	117.878
H8	C3	H9	117.386	H10	C4	H11	114.893
H12	C5	H13	114.893

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

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

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)