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	hartrees
Energy at 0K	-194.963468
Energy at 298.15K	-194.971754
HF Energy	-194.009678
Nuclear repulsion energy	164.089325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3066	15.42
2	A'	3281	3060	11.24
3	A'	3228	3010	6.25
4	A'	3213	2996	0.35
5	A'	3211	2995	10.45
6	A'	3192	2977	7.37
7	A'	1757	1639	24.09
8	A'	1549	1445	1.66
9	A'	1504	1402	0.41
10	A'	1393	1299	0.59
11	A'	1341	1251	2.61
12	A'	1265	1180	2.99
13	A'	1250	1165	2.31
14	A'	1082	1009	2.40
15	A'	1029	959	2.34
16	A'	992	925	36.74
17	A'	846	789	1.31
18	A'	787	734	0.24
19	A'	452	422	1.00
20	A'	271	252	1.13
21	A"	3274	3053	0.22
22	A"	3205	2989	14.79
23	A"	1504	1403	1.85
24	A"	1225	1142	0.91
25	A"	1160	1082	1.89
26	A"	1101	1027	5.08
27	A"	1051	980	11.58
28	A"	967	902	23.89
29	A"	954	890	27.57
30	A"	855	798	6.27
31	A"	701	654	5.71
32	A"	323	301	0.89
33	A"	123	115	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.394	0.288	0.000
C2	0.254	-1.031	0.000
C3	-0.388	-2.192	0.000
C4	0.254	1.423	0.748
C5	0.254	1.423	-0.748
H6	-1.469	0.268	0.000
H7	1.332	-1.027	0.000
H8	0.144	-3.126	0.000
H9	-1.465	-2.234	0.000
H10	-0.390	2.117	1.255
H11	1.180	1.213	1.251
H12	-0.390	2.117	-1.255
H13	1.180	1.213	-1.251

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4693	2.4796	1.5055	1.5055	1.0751	2.1696	3.4555	2.7401	2.2181	2.2135	2.2181	2.2135
C2	1.4693		1.3263	2.5654	2.5654	2.1577	1.0787	2.0973	2.0976	3.4496	2.7318	3.4496	2.7318
C3	2.4796	1.3263		3.7465	3.7465	2.6869	2.0781	1.0750	1.0770	4.4877	3.9525	4.4877	3.9525
C4	1.5055	2.5654	3.7465		1.4957	2.2041	2.7790	4.6108	4.1093	1.0738	1.0750	2.2150	2.2132
C5	1.5055	2.5654	3.7465	1.4957		2.2041	2.7790	4.6108	4.1093	2.2150	2.2132	1.0738	1.0750
H6	1.0751	2.1577	2.6869	2.2041	2.2041		3.0859	3.7577	2.5028	2.4808	3.0782	2.4808	3.0782
H7	2.1696	1.0787	2.0781	2.7790	2.7790	3.0859		2.4120	3.0466	3.7979	2.5705	3.7979	2.5705
H8	3.4555	2.0973	1.0750	4.6108	4.6108	3.7577	2.4120		1.8390	5.4170	4.6334	5.4170	4.6334
H9	2.7401	2.0976	1.0770	4.1093	4.1093	2.5028	3.0466	1.8390		4.6543	4.5221	4.6543	4.5221
H10	2.2181	3.4496	4.4877	1.0738	2.2150	2.4808	3.7979	5.4170	4.6543		1.8117	2.5092	3.0920
H11	2.2135	2.7318	3.9525	1.0750	2.2132	3.0782	2.5705	4.6334	4.5221	1.8117		3.0920	2.5022
H12	2.2181	3.4496	4.4877	2.2150	1.0738	2.4808	3.7979	5.4170	4.6543	2.5092	3.0920		1.8117
H13	2.2135	2.7318	3.9525	2.2132	1.0750	3.0782	2.5705	4.6334	4.5221	3.0920	2.5022	1.8117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.902	C1	C2	H7	115.902
C1	C4	C5	60.214	C1	C4	H10	117.649
C1	C4	H11	117.160	C1	C5	C4	60.214
C1	C5	H12	117.649	C1	C5	H13	117.160
C2	C1	C4	119.167	C2	C1	C5	119.167
C2	C1	H6	115.108	C2	C3	H8	121.355
C2	C3	H9	121.226	C3	C2	H7	119.196
C4	C1	H6	116.326	C4	C5	H12	118.158
C4	C5	H13	117.911	C5	C1	H6	116.326
C5	C4	H10	118.158	C5	C4	H11	117.911
H8	C3	H9	117.419	H10	C4	H11	114.937
H12	C5	H13	114.937

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP3=FULL/cc-pVTZ

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: MP3=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)