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	hartrees
Energy at 0K	-194.861785
Energy at 298.15K	-194.870020
HF Energy	-194.002468
Nuclear repulsion energy	163.246576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3095	36.90
2	A'	3266	3095	0.06
3	A'	3194	3026	9.16
4	A'	3180	3013	2.79
5	A'	3174	3007	13.39
6	A'	3164	2997	8.26
7	A'	1727	1636	21.14
8	A'	1548	1467	1.30
9	A'	1500	1421	0.34
10	A'	1385	1312	1.22
11	A'	1337	1267	3.23
12	A'	1260	1194	2.67
13	A'	1240	1175	2.33
14	A'	1115	1056	2.72
15	A'	1030	976	2.41
16	A'	978	927	34.37
17	A'	843	799	1.32
18	A'	794	753	0.72
19	A'	450	427	0.94
20	A'	273	259	1.10
21	A"	3252	3082	0.16
22	A"	3168	3001	19.44
23	A"	1506	1427	1.00
24	A"	1233	1169	0.65
25	A"	1166	1104	0.97
26	A"	1123	1064	3.52
27	A"	1011	958	14.74
28	A"	952	902	8.12
29	A"	870	824	47.55
30	A"	854	810	3.62
31	A"	673	638	5.14
32	A"	322	305	1.32
33	A"	119	113	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.390	0.289	0.000
C2	0.258	-1.040	0.000
C3	-0.402	-2.199	0.000
C4	0.258	1.429	0.751
C5	0.258	1.429	-0.751
H6	-1.473	0.272	0.000
H7	1.345	-1.041	0.000
H8	0.121	-3.146	0.000
H9	-1.484	-2.233	0.000
H10	-0.390	2.128	1.261
H11	1.192	1.223	1.256
H12	-0.390	2.128	-1.261
H13	1.192	1.223	-1.256

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4783	2.4880	1.5108	1.5108	1.0833	2.1858	3.4726	2.7494	2.2299	2.2250	2.2299	2.2250
C2	1.4783		1.3334	2.5806	2.5806	2.1719	1.0874	2.1104	2.1115	3.4707	2.7513	3.4707	2.7513
C3	2.4880	1.3334		3.7631	3.7631	2.6936	2.0958	1.0814	1.0833	4.5070	3.9780	4.5070	3.9780
C4	1.5108	2.5806	3.7631		1.5012	2.2129	2.8010	4.6382	4.1244	1.0810	1.0819	2.2262	2.2226
C5	1.5108	2.5806	3.7631	1.5012		2.2129	2.8010	4.6382	4.1244	2.2262	2.2226	1.0810	1.0819
H6	1.0833	2.1719	2.6936	2.2129	2.2129		3.1089	3.7715	2.5055	2.4914	3.0955	2.4914	3.0955
H7	2.1858	1.0874	2.0958	2.8010	2.8010	3.1089		2.4354	3.0705	3.8263	2.5929	3.8263	2.5929
H8	3.4726	2.1104	1.0814	4.6382	4.6382	3.7715	2.4354		1.8464	5.4465	4.6701	5.4465	4.6701
H9	2.7494	2.1115	1.0833	4.1244	4.1244	2.5055	3.0705	1.8464		4.6698	4.5479	4.6698	4.5479
H10	2.2299	3.4707	4.5070	1.0810	2.2262	2.4914	3.8263	5.4465	4.6698		1.8226	2.5228	3.1075
H11	2.2250	2.7513	3.9780	1.0819	2.2226	3.0955	2.5929	4.6701	4.5479	1.8226		3.1075	2.5110
H12	2.2299	3.4707	4.5070	2.2262	1.0810	2.4914	3.8263	5.4465	4.6698	2.5228	3.1075		1.8226
H13	2.2250	2.7513	3.9780	2.2226	1.0819	3.0955	2.5929	4.6701	4.5479	3.1075	2.5110	1.8226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.394	C1	C2	H7	116.012
C1	C4	C5	60.211	C1	C4	H10	117.757
C1	C4	H11	117.264	C1	C5	C4	60.211
C1	C5	H12	117.757	C1	C5	H13	117.264
C2	C1	C4	119.386	C2	C1	C5	119.386
C2	C1	H6	115.095	C2	C3	H8	121.492
C2	C3	H9	121.440	C3	C2	H7	119.594
C4	C1	H6	116.112	C4	C5	H12	118.198
C4	C5	H13	117.820	C5	C1	H6	116.112
C5	C4	H10	118.198	C5	C4	H11	117.820
H8	C3	H9	117.069	H10	C4	H11	114.844
H12	C5	H13	114.844

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCSD=FULL/TZVP

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=FULL/TZVP

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)