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	hartrees
Energy at 0K	-194.964821
Energy at 298.15K
HF Energy	-194.009619
Nuclear repulsion energy	163.994799

Atom	x (Å)	y (Å)	z (Å)
C1	-0.393	0.289	0.000
C2	0.254	-1.031	0.000
C3	-0.388	-2.194	0.000
C4	0.254	1.423	0.748
C5	0.254	1.423	-0.748
H6	-1.470	0.269	0.000
H7	1.334	-1.026	0.000
H8	0.145	-3.129	0.000
H9	-1.466	-2.238	0.000
H10	-0.390	2.119	1.256
H11	1.181	1.214	1.253
H12	-0.390	2.119	-1.256
H13	1.181	1.214	-1.253

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4699	2.4824	1.5048	1.5048	1.0769	2.1707	3.4595	2.7449	2.2196	2.2148	2.2196	2.2148
C2	1.4699		1.3281	2.5656	2.5656	2.1590	1.0801	2.1003	2.1007	3.4517	2.7335	3.4517	2.7335
C3	2.4824	1.3281		3.7487	3.7487	2.6897	2.0804	1.0764	1.0783	4.4917	3.9558	4.4917	3.9558
C4	1.5048	2.5656	3.7487		1.4954	2.2051	2.7795	4.6140	4.1133	1.0755	1.0766	2.2165	2.2148
C5	1.5048	2.5656	3.7487	1.4954		2.2051	2.7795	4.6140	4.1133	2.2165	2.2148	1.0755	1.0766
H6	1.0769	2.1590	2.6897	2.2051	2.2051		3.0885	3.7620	2.5070	2.4831	3.0810	2.4831	3.0810
H7	2.1707	1.0801	2.0804	2.7795	2.7795	3.0885		2.4150	3.0504	3.8002	2.5716	3.8002	2.5716
H8	3.4595	2.1003	1.0764	4.6140	4.6140	3.7620	2.4150		1.8407	5.4221	4.6373	5.4221	4.6373
H9	2.7449	2.1007	1.0783	4.1133	4.1133	2.5070	3.0504	1.8407		4.6601	4.5272	4.6601	4.5272
H10	2.2196	3.4517	4.4917	1.0755	2.2165	2.4831	3.8002	5.4221	4.6601		1.8132	2.5118	3.0951
H11	2.2148	2.7335	3.9558	1.0766	2.2148	3.0810	2.5716	4.6373	4.5272	1.8132		3.0951	2.5052
H12	2.2196	3.4517	4.4917	2.2165	1.0755	2.4831	3.8002	5.4221	4.6601	2.5118	3.0951		1.8132
H13	2.2148	2.7335	3.9558	2.2148	1.0766	3.0810	2.5716	4.6373	4.5272	3.0951	2.5052	1.8132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.979	C1	C2	H7	115.860
C1	C4	C5	60.207	C1	C4	H10	117.715
C1	C4	H11	117.214	C1	C5	C4	60.207
C1	C5	H12	117.715	C1	C5	H13	117.214
C2	C1	C4	119.188	C2	C1	C5	119.188
C2	C1	H6	115.062	C2	C3	H8	121.381
C2	C3	H9	121.263	C3	C2	H7	119.161
C4	C1	H6	116.339	C4	C5	H12	118.197
C4	C5	H13	117.966	C5	C1	H6	116.339
C5	C4	H10	118.197	C5	C4	H11	117.966
H8	C3	H9	117.356	H10	C4	H11	114.810
H12	C5	H13	114.810

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

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

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)