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	hartrees
Energy at 0K	-194.281961
Energy at 298.15K	-194.290317
HF Energy	-193.860114
Nuclear repulsion energy	161.991404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3100	29.69
2	A'	3304	3090	23.74
3	A'	3234	3025	4.99
4	A'	3225	3016	11.31
5	A'	3221	3012	10.74
6	A'	3188	2982	13.69
7	A'	1782	1666	16.86
8	A'	1597	1494	1.51
9	A'	1557	1456	0.23
10	A'	1436	1343	0.56
11	A'	1399	1308	2.51
12	A'	1299	1215	2.66
13	A'	1266	1184	1.08
14	A'	1184	1107	4.14
15	A'	1074	1005	3.63
16	A'	1002	937	37.14
17	A'	868	812	1.64
18	A'	819	766	1.19
19	A'	465	435	1.35
20	A'	284	266	0.91
21	A"	3299	3085	0.13
22	A"	3218	3009	19.18
23	A"	1572	1470	2.31
24	A"	1278	1195	0.72
25	A"	1223	1144	0.14
26	A"	1196	1119	7.18
27	A"	1063	994	12.43
28	A"	998	933	4.76
29	A"	986	922	57.29
30	A"	875	819	15.42
31	A"	703	657	3.61
32	A"	328	307	1.53
33	A"	109	102	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.385	0.287	0.000
C2	0.258	-1.055	0.000
C3	-0.405	-2.219	0.000
C4	0.258	1.446	0.757
C5	0.258	1.446	-0.757
H6	-1.471	0.263	0.000
H7	1.348	-1.060	0.000
H8	0.110	-3.173	0.000
H9	-1.491	-2.261	0.000
H10	-0.391	2.140	1.278
H11	1.193	1.255	1.271
H12	-0.391	2.140	-1.278
H13	1.193	1.255	-1.271

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4881	2.5065	1.5262	1.5262	1.0859	2.1955	3.4954	2.7776	2.2503	2.2451	2.2503	2.2451
C2	1.4881		1.3398	2.6132	2.6132	2.1736	1.0907	2.1231	2.1239	3.5012	2.7969	3.5012	2.7969
C3	2.5065	1.3398		3.8010	3.8010	2.7014	2.1021	1.0841	1.0862	4.5422	4.0293	4.5422	4.0293
C4	1.5262	2.6132	3.8010		1.5138	2.2271	2.8362	4.6831	4.1680	1.0833	1.0841	2.2456	2.2411
C5	1.5262	2.6132	3.8010	1.5138		2.2271	2.8362	4.6831	4.1680	2.2456	2.2411	1.0833	1.0841
H6	1.0859	2.1736	2.7014	2.2271	2.2271		3.1142	3.7823	2.5241	2.5136	3.1132	2.5136	3.1132
H7	2.1955	1.0907	2.1021	2.8362	2.8362	3.1142		2.4489	3.0825	3.8597	2.6451	3.8597	2.6451
H8	3.4954	2.1231	1.0841	4.6831	4.6831	3.7823	2.4489		1.8424	5.4869	4.7317	5.4869	4.7317
H9	2.7776	2.1239	1.0862	4.1680	4.1680	2.5241	3.0825	1.8424		4.7121	4.6015	4.7121	4.6015
H10	2.2503	3.5012	4.5422	1.0833	2.2456	2.5136	3.8597	5.4869	4.7121		1.8147	2.5559	3.1288
H11	2.2451	2.7969	4.0293	1.0841	2.2411	3.1132	2.6451	4.7317	4.6015	1.8147		3.1288	2.5416
H12	2.2503	3.5012	4.5422	2.2456	1.0833	2.5136	3.8597	5.4869	4.7121	2.5559	3.1288		1.8147
H13	2.2451	2.7969	4.0293	2.2411	1.0841	3.1132	2.6451	4.7317	4.6015	3.1288	2.5416	1.8147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.751	C1	C2	H7	115.863
C1	C4	C5	60.270	C1	C4	H10	118.167
C1	C4	H11	117.651	C1	C5	C4	60.270
C1	C5	H12	118.167	C1	C5	H13	117.651
C2	C1	C4	120.196	C2	C1	C5	120.196
C2	C1	H6	114.320	C2	C3	H8	121.950
C2	C3	H9	121.856	C3	C2	H7	119.386
C4	C1	H6	115.972	C4	C5	H12	118.750
C4	C5	H13	118.297	C5	C1	H6	115.972
C5	C4	H10	118.750	C5	C4	H11	118.297
H8	C3	H9	116.194	H10	C4	H11	113.709
H12	C5	H13	113.709

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CID/6-31G

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: CID/6-31G

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)