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	hartrees
Energy at 0K	-194.770384
Energy at 298.15K
HF Energy	-193.959898
Nuclear repulsion energy	161.396999

Atom	x (Å)	y (Å)	z (Å)
C1	-0.400	0.292	0.000
C2	0.260	-1.042	0.000
C3	-0.399	-2.227	0.000
C4	0.260	1.444	0.760
C5	0.260	1.444	-0.760
H6	-1.497	0.275	0.000
H7	1.360	-1.038	0.000
H8	0.141	-3.179	0.000
H9	-1.495	-2.269	0.000
H10	-0.396	2.150	1.278
H11	1.203	1.227	1.271
H12	-0.396	2.150	-1.278
H13	1.203	1.227	-1.271

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4883	2.5188	1.5297	1.5297	1.0964	2.2061	3.5128	2.7850	2.2554	2.2496	2.2554	2.2496
C2	1.4883		1.3557	2.5996	2.5996	2.1950	1.1007	2.1400	2.1411	3.5006	2.7666	3.5006	2.7666
C3	2.5188	1.3557		3.8062	3.8062	2.7317	2.1237	1.0948	1.0968	4.5600	4.0139	4.5600	4.0139
C4	1.5297	2.5996	3.8062		1.5197	2.2424	2.8191	4.6864	4.1763	1.0940	1.0949	2.2538	2.2501
C5	1.5297	2.5996	3.8062	1.5197		2.2424	2.8191	4.6864	4.1763	2.2538	2.2501	1.0940	1.0949
H6	1.0964	2.1950	2.7317	2.2424	2.2424		3.1438	3.8224	2.5436	2.5223	3.1321	2.5223	3.1321
H7	2.2061	1.1007	2.1237	2.8191	2.8191	3.1438		2.4638	3.1096	3.8575	2.6017	3.8575	2.6017
H8	3.5128	2.1400	1.0948	4.6864	4.6864	3.8224	2.4638		1.8727	5.5066	4.7067	5.5066	4.7067
H9	2.7850	2.1411	1.0968	4.1763	4.1763	2.5436	3.1096	1.8727		4.7299	4.5952	4.7299	4.5952
H10	2.2554	3.5006	4.5600	1.0940	2.2538	2.5223	3.8575	5.5066	4.7299		1.8464	2.5551	3.1474
H11	2.2496	2.7666	4.0139	1.0949	2.2501	3.1321	2.6017	4.7067	4.5952	1.8464		3.1474	2.5428
H12	2.2554	3.5006	4.5600	2.2538	1.0940	2.5223	3.8575	5.5066	4.7299	2.5551	3.1474		1.8464
H13	2.2496	2.7666	4.0139	2.2501	1.0949	3.1321	2.6017	4.7067	4.5952	3.1474	2.5428	1.8464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.603	C1	C2	H7	116.085
C1	C4	C5	60.217	C1	C4	H10	117.584
C1	C4	H11	117.023	C1	C5	C4	60.217
C1	C5	H12	117.584	C1	C5	H13	117.023
C2	C1	C4	118.935	C2	C1	C5	118.935
C2	C1	H6	115.426	C2	C3	H8	121.326
C2	C3	H9	121.269	C3	C2	H7	119.312
C4	C1	H6	116.298	C4	C5	H12	118.246
C4	C5	H13	117.856	C5	C1	H6	116.298
C5	C4	H10	118.246	C5	C4	H11	117.856
H8	C3	H9	117.405	H10	C4	H11	115.034
H12	C5	H13	115.034

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)