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	hartrees
Energy at 0K	-194.519047
Energy at 298.15K	-194.527398
HF Energy	-193.939975
Nuclear repulsion energy	163.567642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3353	3104	20.20
2	A'	3348	3100	19.84
3	A'	3273	3030	7.02
4	A'	3272	3029	4.58
5	A'	3261	3019	16.24
6	A'	3247	3006	8.39
7	A'	1821	1686	19.62
8	A'	1613	1493	1.29
9	A'	1554	1439	0.26
10	A'	1442	1335	0.90
11	A'	1390	1287	3.25
12	A'	1305	1208	2.20
13	A'	1291	1196	2.24
14	A'	1148	1063	1.32
15	A'	1064	985	4.41
16	A'	1024	948	35.43
17	A'	871	807	1.12
18	A'	814	754	0.29
19	A'	464	430	1.08
20	A'	282	261	1.19
21	A"	3334	3087	0.13
22	A"	3254	3012	20.03
23	A"	1561	1445	1.14
24	A"	1271	1177	0.63
25	A"	1205	1116	1.22
26	A"	1157	1071	4.34
27	A"	1078	998	10.81
28	A"	998	924	3.86
29	A"	982	909	53.21
30	A"	884	819	7.03
31	A"	712	659	4.47
32	A"	329	304	1.11
33	A"	119	110	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.387	0.290	0.000
C2	0.255	-1.041	0.000
C3	-0.397	-2.197	0.000
C4	0.255	1.428	0.747
C5	0.255	1.428	-0.747
H6	-1.469	0.271	0.000
H7	1.341	-1.044	0.000
H8	0.124	-3.142	0.000
H9	-1.478	-2.240	0.000
H10	-0.392	2.123	1.263
H11	1.187	1.230	1.257
H12	-0.392	2.123	-1.263
H13	1.187	1.230	-1.257

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4780	2.4865	1.5053	1.5053	1.0825	2.1829	3.4700	2.7554	2.2260	2.2230	2.2260	2.2230
C2	1.4780		1.3267	2.5801	2.5801	2.1671	1.0857	2.1049	2.1075	3.4679	2.7582	3.4679	2.7582
C3	2.4865	1.3267		3.7580	3.7580	2.6903	2.0855	1.0801	1.0817	4.5003	3.9788	4.5003	3.9788
C4	1.5053	2.5801	3.7580		1.4938	2.2069	2.8018	4.6329	4.1255	1.0804	1.0810	2.2227	2.2191
C5	1.5053	2.5801	3.7580	1.4938		2.2069	2.8018	4.6329	4.1255	2.2227	2.2191	1.0804	1.0810
H6	1.0825	2.1671	2.6903	2.2069	2.2069		3.1027	3.7670	2.5113	2.4871	3.0913	2.4871	3.0913
H7	2.1829	1.0857	2.0855	2.8018	2.8018	3.1027		2.4251	3.0622	3.8246	2.6030	3.8246	2.6030
H8	3.4700	2.1049	1.0801	4.6329	4.6329	3.7670	2.4251		1.8390	5.4390	4.6717	5.4390	4.6717
H9	2.7554	2.1075	1.0817	4.1255	4.1255	2.5113	3.0622	1.8390		4.6703	4.5525	4.6703	4.5525
H10	2.2260	3.4679	4.5003	1.0804	2.2227	2.4871	3.8246	5.4390	4.6703		1.8139	2.5260	3.1051
H11	2.2230	2.7582	3.9788	1.0810	2.2191	3.0913	2.6030	4.6717	4.5525	1.8139		3.1051	2.5144
H12	2.2260	3.4679	4.5003	2.2227	1.0804	2.4871	3.8246	5.4390	4.6703	2.5260	3.1051		1.8139
H13	2.2230	2.7582	3.9788	2.2191	1.0810	3.0913	2.6030	4.6717	4.5525	3.1051	2.5144	1.8139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.791	C1	C2	H7	115.898
C1	C4	C5	60.253	C1	C4	H10	117.897
C1	C4	H11	117.591	C1	C5	C4	60.253
C1	C5	H12	117.897	C1	C5	H13	117.591
C2	C1	C4	119.728	C2	C1	C5	119.728
C2	C1	H6	114.750	C2	C3	H8	121.648
C2	C3	H9	121.775	C3	C2	H7	119.311
C4	C1	H6	116.079	C4	C5	H12	118.535
C4	C5	H13	118.171	C5	C1	H6	116.079
C5	C4	H10	118.535	C5	C4	H11	118.171
H8	C3	H9	116.577	H10	C4	H11	114.125
H12	C5	H13	114.125

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)