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	hartrees
Energy at 0K	-194.883374
Energy at 298.15K
HF Energy	-194.009124
Nuclear repulsion energy	163.309186

Atom	x (Å)	y (Å)	z (Å)
C1	-0.394	0.289	0.000
C2	0.256	-1.037	0.000
C3	-0.393	-2.202	0.000
C4	0.256	1.429	0.751
C5	0.256	1.429	-0.751
H6	-1.476	0.271	0.000
H7	1.342	-1.033	0.000
H8	0.139	-3.142	0.000
H9	-1.475	-2.242	0.000
H10	-0.391	2.127	1.262
H11	1.187	1.220	1.256
H12	-0.391	2.127	-1.262
H13	1.187	1.220	-1.256

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4772	2.4910	1.5114	1.5114	1.0816	2.1818	3.4725	2.7529	2.2288	2.2236	2.2288	2.2236
C2	1.4772		1.3331	2.5779	2.5779	2.1702	1.0860	2.1081	2.1091	3.4670	2.7458	3.4670	2.7458
C3	2.4910	1.3331		3.7638	3.7638	2.6994	2.0922	1.0805	1.0825	4.5085	3.9726	4.5085	3.9726
C4	1.5114	2.5779	3.7638		1.5010	2.2137	2.7932	4.6338	4.1278	1.0798	1.0806	2.2257	2.2225
C5	1.5114	2.5779	3.7638	1.5010		2.2137	2.7932	4.6338	4.1278	2.2257	2.2225	1.0798	1.0806
H6	1.0816	2.1702	2.6994	2.2137	2.2137		3.1043	3.7759	2.5138	2.4922	3.0932	2.4922	3.0932
H7	2.1818	1.0860	2.0922	2.7932	2.7932	3.1043		2.4285	3.0657	3.8176	2.5835	3.8176	2.5835
H8	3.4725	2.1081	1.0805	4.6338	4.6338	3.7759	2.4285		1.8476	5.4435	4.6585	5.4435	4.6585
H9	2.7529	2.1091	1.0825	4.1278	4.1278	2.5138	3.0657	1.8476		4.6751	4.5445	4.6751	4.5445
H10	2.2288	3.4670	4.5085	1.0798	2.2257	2.4922	3.8176	5.4435	4.6751		1.8201	2.5236	3.1071
H11	2.2236	2.7458	3.9726	1.0806	2.2225	3.0932	2.5835	4.6585	4.5445	1.8201		3.1071	2.5128
H12	2.2288	3.4670	4.5085	2.2257	1.0798	2.4922	3.8176	5.4435	4.6751	2.5236	3.1071		1.8201
H13	2.2236	2.7458	3.9726	2.2225	1.0806	3.0932	2.5835	4.6585	4.5445	3.1071	2.5128	1.8201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.766	C1	C2	H7	115.849
C1	C4	C5	60.227	C1	C4	H10	117.709
C1	C4	H11	117.187	C1	C5	C4	60.227
C1	C5	H12	117.709	C1	C5	H13	117.187
C2	C1	C4	119.216	C2	C1	C5	119.216
C2	C1	H6	115.144	C2	C3	H8	121.363
C2	C3	H9	121.297	C3	C2	H7	119.384
C4	C1	H6	116.254	C4	C5	H12	118.263
C4	C5	H13	117.915	C5	C1	H6	116.254
C5	C4	H10	118.263	C5	C4	H11	117.915
H8	C3	H9	117.340	H10	C4	H11	114.813
H12	C5	H13	114.813

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCSD/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/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)