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	hartrees
Energy at 0K	-193.300895
Energy at 298.15K	-193.309146
HF Energy	-192.853476
Nuclear repulsion energy	161.677565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3148	12.41
2	A'	3260	3112	15.96
3	A'	3207	3061	3.85
4	A'	3200	3054	7.48
5	A'	3175	3030	4.76
6	A'	3143	3000	9.36
7	A'	1690	1613	12.10
8	A'	1572	1500	1.14
9	A'	1542	1471	0.39
10	A'	1389	1326	1.56
11	A'	1381	1318	1.10
12	A'	1270	1212	2.08
13	A'	1176	1123	2.86
14	A'	1140	1088	10.32
15	A'	1067	1018	4.08
16	A'	938	895	27.47
17	A'	840	802	1.23
18	A'	795	759	1.73
19	A'	457	436	1.47
20	A'	277	264	0.76
21	A"	3282	3133	0.05
22	A"	3195	3050	11.52
23	A"	1559	1488	2.50
24	A"	1244	1187	0.66
25	A"	1191	1137	2.20
26	A"	1152	1099	8.83
27	A"	1041	994	13.38
28	A"	958	914	0.17
29	A"	940	897	49.23
30	A"	825	787	15.23
31	A"	687	656	3.39
32	A"	325	310	1.83
33	A"	113	108	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.409	0.286	0.000
C2	0.256	-1.042	0.000
C3	-0.383	-2.225	0.000
C4	0.256	1.445	0.763
C5	0.256	1.445	-0.763
H6	-1.495	0.266	0.000
H7	1.348	-1.020	0.000
H8	0.156	-3.167	0.000
H9	-1.468	-2.286	0.000
H10	-0.392	2.147	1.273
H11	1.189	1.229	1.272
H12	-0.392	2.147	-1.273
H13	1.189	1.229	-1.272

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4848	2.5104	1.5393	1.5393	1.0863	2.1885	3.4981	2.7818	2.2553	2.2489	2.2553	2.2489
C2	1.4848		1.3443	2.6017	2.6017	2.1854	1.0920	2.1270	2.1267	3.4946	2.7644	3.4946	2.7644
C3	2.5104	1.3443		3.8024	3.8024	2.7272	2.1092	1.0854	1.0872	4.5533	4.0015	4.5533	4.0015
C4	1.5393	2.6017	3.8024		1.5269	2.2450	2.8017	4.6756	4.1811	1.0834	1.0839	2.2500	2.2490
C5	1.5393	2.6017	3.8024	1.5269		2.2450	2.8017	4.6756	4.1811	2.2500	2.2490	1.0834	1.0839
H6	1.0863	2.1854	2.7272	2.2450	2.2450		3.1198	3.8086	2.5521	2.5251	3.1218	2.5251	3.1218
H7	2.1885	1.0920	2.1092	2.8017	2.8017	3.1198		2.4557	3.0883	3.8312	2.5877	3.8312	2.5877
H8	3.4981	2.1270	1.0854	4.6756	4.6756	3.8086	2.4557		1.8477	5.4915	4.6905	5.4915	4.6905
H9	2.7818	2.1267	1.0872	4.1811	4.1811	2.5521	3.0883	1.8477		4.7364	4.5861	4.7364	4.5861
H10	2.2553	3.4946	4.5533	1.0834	2.2500	2.5251	3.8312	5.4915	4.7364		1.8287	2.5470	3.1340
H11	2.2489	2.7644	4.0015	1.0839	2.2490	3.1218	2.5877	4.6905	4.5861	1.8287		3.1340	2.5432
H12	2.2553	3.4946	4.5533	2.2500	1.0834	2.5251	3.8312	5.4915	4.7364	2.5470	3.1340		1.8287
H13	2.2489	2.7644	4.0015	2.2490	1.0839	3.1218	2.5877	4.6905	4.5861	3.1340	2.5432	1.8287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.006	C1	C2	H7	115.423
C1	C4	C5	60.265	C1	C4	H10	117.567
C1	C4	H11	116.978	C1	C5	C4	60.265
C1	C5	H12	117.567	C1	C5	H13	116.978
C2	C1	C4	118.692	C2	C1	C5	118.692
C2	C1	H6	115.546	C2	C3	H8	121.822
C2	C3	H9	121.648	C3	C2	H7	119.571
C4	C1	H6	116.472	C4	C5	H12	118.085
C4	C5	H13	117.958	C5	C1	H6	116.472
C5	C4	H10	118.085	C5	C4	H11	117.958
H8	C3	H9	116.530	H10	C4	H11	115.089
H12	C5	H13	115.089

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)