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	hartrees
Energy at 0K	-194.743114
Energy at 298.15K	-194.751305
HF Energy	-193.972825
Nuclear repulsion energy	162.971026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3111	17.13
2	A'	3282	3109	11.82
3	A'	3198	3029	8.45
4	A'	3186	3017	2.39
5	A'	3182	3014	10.23
6	A'	3166	2998	9.22
7	A'	1706	1616	20.13
8	A'	1542	1460	2.28
9	A'	1491	1412	0.35
10	A'	1377	1304	0.44
11	A'	1332	1261	3.05
12	A'	1258	1192	3.07
13	A'	1245	1179	2.11
14	A'	1076	1019	5.70
15	A'	1025	970	5.17
16	A'	989	937	38.65
17	A'	844	800	1.36
18	A'	788	746	0.30
19	A'	450	427	1.18
20	A'	271	256	1.05
21	A"	3271	3098	0.08
22	A"	3177	3009	15.17
23	A"	1501	1421	3.76
24	A"	1221	1156	0.85
25	A"	1143	1083	3.59
26	A"	1080	1023	6.57
27	A"	1010	957	14.54
28	A"	938	888	8.92
29	A"	880	833	50.65
30	A"	852	807	5.58
31	A"	678	643	6.76
32	A"	317	300	1.66
33	A"	120	113	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.392	0.287	0.000
C2	0.257	-1.036	0.000
C3	-0.398	-2.206	0.000
C4	0.257	1.432	0.751
C5	0.257	1.432	-0.751
H6	-1.479	0.275	0.000
H7	1.348	-1.037	0.000
H8	0.133	-3.150	0.000
H9	-1.483	-2.247	0.000
H10	-0.394	2.129	1.265
H11	1.192	1.223	1.259
H12	-0.394	2.129	-1.265
H13	1.192	1.223	-1.259

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4739	2.4927	1.5151	1.5151	1.0869	2.1871	3.4775	2.7586	2.2341	2.2291	2.2341	2.2291
C2	1.4739		1.3405	2.5795	2.5795	2.1753	1.0911	2.1180	2.1197	3.4697	2.7495	3.4697	2.7495
C3	2.4927	1.3405		3.7714	3.7714	2.7056	2.1009	1.0840	1.0857	4.5149	3.9829	4.5149	3.9829
C4	1.5151	2.5795	3.7714		1.5014	2.2174	2.8019	4.6450	4.1380	1.0837	1.0843	2.2301	2.2264
C5	1.5151	2.5795	3.7714	1.5014		2.2174	2.8019	4.6450	4.1380	2.2301	2.2264	1.0837	1.0843
H6	1.0869	2.1753	2.7056	2.2174	2.2174		3.1168	3.7856	2.5214	2.4927	3.1010	2.4927	3.1010
H7	2.1871	1.0911	2.1009	2.8019	2.8019	3.1168		2.4374	3.0786	3.8287	2.5917	3.8287	2.5917
H8	3.4775	2.1180	1.0840	4.6450	4.6450	3.7856	2.4374		1.8517	5.4540	4.6720	5.4540	4.6720
H9	2.7586	2.1197	1.0857	4.1380	4.1380	2.5214	3.0786	1.8517		4.6827	4.5578	4.6827	4.5578
H10	2.2341	3.4697	4.5149	1.0837	2.2301	2.4927	3.8287	5.4540	4.6827		1.8265	2.5302	3.1158
H11	2.2291	2.7495	3.9829	1.0843	2.2264	3.1010	2.5917	4.6720	4.5578	1.8265		3.1158	2.5185
H12	2.2341	3.4697	4.5149	2.2301	1.0837	2.4927	3.8287	5.4540	4.6827	2.5302	3.1158		1.8265
H13	2.2291	2.7495	3.9829	2.2264	1.0843	3.1010	2.5917	4.6720	4.5578	3.1158	2.5185	1.8265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.608	C1	C2	H7	116.205
C1	C4	C5	60.298	C1	C4	H10	117.595
C1	C4	H11	117.122	C1	C5	C4	60.298
C1	C5	H12	117.595	C1	C5	H13	117.122
C2	C1	C4	119.304	C2	C1	C5	119.304
C2	C1	H6	115.483	C2	C3	H8	121.398
C2	C3	H9	121.424	C3	C2	H7	119.186
C4	C1	H6	115.926	C4	C5	H12	118.338
C4	C5	H13	117.971	C5	C1	H6	115.926
C5	C4	H10	118.338	C5	C4	H11	117.971
H8	C3	H9	117.178	H10	C4	H11	114.810
H12	C5	H13	114.810

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)