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	hartrees
Energy at 0K	-194.670924
Energy at 298.15K	-194.679167
HF Energy	-193.953390
Nuclear repulsion energy	163.455003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3345	3125	14.51
2	A'	3339	3120	13.26
3	A'	3246	3034	7.59
4	A'	3245	3032	3.22
5	A'	3237	3025	9.90
6	A'	3218	3007	9.25
7	A'	1740	1625	14.85
8	A'	1572	1469	0.81
9	A'	1518	1418	0.21
10	A'	1399	1307	0.91
11	A'	1346	1257	3.49
12	A'	1272	1188	2.36
13	A'	1263	1180	2.32
14	A'	1110	1037	2.29
15	A'	1035	967	4.27
16	A'	1006	940	31.44
17	A'	855	799	0.86
18	A'	797	745	0.23
19	A'	451	421	0.91
20	A'	270	253	1.10
21	A"	3327	3109	0.07
22	A"	3232	3020	14.28
23	A"	1528	1428	0.67
24	A"	1241	1159	0.55
25	A"	1172	1095	2.21
26	A"	1112	1039	4.32
27	A"	1037	969	10.27
28	A"	959	896	8.92
29	A"	909	850	35.85
30	A"	862	805	6.12
31	A"	686	641	3.87
32	A"	320	299	1.01
33	A"	122	114	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.389	0.288	0.000
C2	0.257	-1.035	0.000
C3	-0.401	-2.200	0.000
C4	0.257	1.429	0.748
C5	0.257	1.429	-0.748
H6	-1.471	0.271	0.000
H7	1.343	-1.037	0.000
H8	0.122	-3.144	0.000
H9	-1.481	-2.235	0.000
H10	-0.390	2.123	1.262
H11	1.188	1.222	1.255
H12	-0.390	2.123	-1.262
H13	1.188	1.222	-1.255

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4721	2.4877	1.5093	1.5093	1.0825	2.1803	3.4692	2.7488	2.2274	2.2211	2.2274	2.2211
C2	1.4721		1.3378	2.5749	2.5749	2.1663	1.0860	2.1128	2.1120	3.4621	2.7453	3.4621	2.7453
C3	2.4877	1.3378		3.7629	3.7629	2.6927	2.0962	1.0790	1.0808	4.5035	3.9762	4.5035	3.9762
C4	1.5093	2.5749	3.7629		1.4953	2.2103	2.7963	4.6351	4.1233	1.0793	1.0800	2.2223	2.2179
C5	1.5093	2.5749	3.7629	1.4953		2.2103	2.7963	4.6351	4.1233	2.2223	2.2179	1.0793	1.0800
H6	1.0825	2.1663	2.6927	2.2103	2.2103		3.1033	3.7681	2.5057	2.4883	3.0901	2.4883	3.0901
H7	2.1803	1.0860	2.0962	2.7963	2.7963	3.1033		2.4348	3.0677	3.8187	2.5891	3.8187	2.5891
H8	3.4692	2.1128	1.0790	4.6351	4.6351	3.7681	2.4348		1.8432	5.4400	4.6659	5.4400	4.6659
H9	2.7488	2.1120	1.0808	4.1233	4.1233	2.5057	3.0677	1.8432		4.6662	4.5440	4.6662	4.5440
H10	2.2274	3.4621	4.5035	1.0793	2.2223	2.4883	3.8187	5.4400	4.6662		1.8167	2.5236	3.1040
H11	2.2211	2.7453	3.9762	1.0800	2.2179	3.0901	2.5891	4.6659	4.5440	1.8167		3.1040	2.5099
H12	2.2274	3.4621	4.5035	2.2223	1.0793	2.4883	3.8187	5.4400	4.6662	2.5236	3.1040		1.8167
H13	2.2211	2.7453	3.9762	2.2179	1.0800	3.0901	2.5891	4.6659	4.5440	3.1040	2.5099	1.8167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.513	C1	C2	H7	116.119
C1	C4	C5	60.307	C1	C4	H10	117.775
C1	C4	H11	117.175	C1	C5	C4	60.307
C1	C5	H12	117.775	C1	C5	H13	117.175
C2	C1	C4	119.458	C2	C1	C5	119.458
C2	C1	H6	115.138	C2	C3	H8	121.528
C2	C3	H9	121.307	C3	C2	H7	119.368
C4	C1	H6	116.063	C4	C5	H12	118.450
C4	C5	H13	118.019	C5	C1	H6	116.063
C5	C4	H10	118.450	C5	C4	H11	118.019
H8	C3	H9	117.165	H10	C4	H11	114.569
H12	C5	H13	114.569

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)