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	hartrees
Energy at 0K	-194.687576
Energy at 298.15K	-194.695694
HF Energy	-193.960950
Nuclear repulsion energy	162.111656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3186	16.98
2	A'	3287	3186	5.64
3	A'	3198	3100	6.89
4	A'	3185	3086	2.32
5	A'	3180	3082	9.38
6	A'	3169	3071	7.80
7	A'	1687	1635	28.14
8	A'	1501	1455	1.33
9	A'	1464	1419	0.22
10	A'	1350	1308	0.79
11	A'	1304	1264	2.69
12	A'	1235	1197	4.59
13	A'	1222	1184	1.73
14	A'	1027	995	4.06
15	A'	995	965	1.32
16	A'	970	940	39.61
17	A'	827	802	1.57
18	A'	761	738	0.24
19	A'	440	427	1.13
20	A'	264	255	1.12
21	A"	3273	3172	0.12
22	A"	3174	3076	13.75
23	A"	1458	1413	1.50
24	A"	1185	1149	0.92
25	A"	1110	1076	3.15
26	A"	1043	1011	4.84
27	A"	1000	969	13.49
28	A"	909	881	44.67
29	A"	905	877	2.73
30	A"	825	800	5.02
31	A"	671	650	6.95
32	A"	313	303	0.94
33	A"	112	109	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.402	0.289	0.000
C2	0.258	-1.034	0.000
C3	-0.393	-2.218	0.000
C4	0.258	1.437	0.756
C5	0.258	1.437	-0.756
H6	-1.495	0.275	0.000
H7	1.356	-1.027	0.000
H8	0.153	-3.163	0.000
H9	-1.485	-2.263	0.000
H10	-0.396	2.141	1.271
H11	1.197	1.215	1.266
H12	-0.396	2.141	-1.271
H13	1.197	1.215	-1.266

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4781	2.5072	1.5246	1.5246	1.0932	2.1958	3.4963	2.7720	2.2462	2.2396	2.2462	2.2396
C2	1.4781		1.3517	2.5833	2.5833	2.1879	1.0978	2.1319	2.1330	3.4816	2.7456	3.4816	2.7456
C3	2.5072	1.3517		3.7886	3.7886	2.7264	2.1160	1.0913	1.0932	4.5408	3.9894	4.5408	3.9894
C4	1.5246	2.5833	3.7886		1.5121	2.2347	2.8010	4.6625	4.1587	1.0904	1.0912	2.2432	2.2401
C5	1.5246	2.5833	3.7886	1.5121		2.2347	2.8010	4.6625	4.1587	2.2432	2.2401	1.0904	1.0912
H6	1.0932	2.1879	2.7264	2.2347	2.2347		3.1343	3.8131	2.5380	2.5108	3.1196	2.5108	3.1196
H7	2.1958	1.0978	2.1160	2.8010	2.8010	3.1343		2.4512	3.0982	3.8366	2.5792	3.8366	2.5792
H8	3.4963	2.1319	1.0913	4.6625	4.6625	3.8131	2.4512		1.8698	5.4818	4.6749	5.4818	4.6749
H9	2.7720	2.1330	1.0932	4.1587	4.1587	2.5380	3.0982	1.8698		4.7111	4.5703	4.7111	4.5703
H10	2.2462	3.4816	4.5408	1.0904	2.2432	2.5108	3.8366	5.4818	4.7111		1.8427	2.5417	3.1352
H11	2.2396	2.7456	3.9894	1.0912	2.2401	3.1196	2.5792	4.6749	4.5703	1.8427		3.1352	2.5314
H12	2.2462	3.4816	4.5408	2.2432	1.0904	2.5108	3.8366	5.4818	4.7111	2.5417	3.1352		1.8427
H13	2.2396	2.7456	3.9894	2.2401	1.0912	3.1196	2.5792	4.6749	4.5703	3.1352	2.5314	1.8427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.689	C1	C2	H7	116.173
C1	C4	C5	60.272	C1	C4	H10	117.441
C1	C4	H11	116.811	C1	C5	C4	60.272
C1	C5	H12	117.441	C1	C5	H13	116.811
C2	C1	C4	118.700	C2	C1	C5	118.700
C2	C1	H6	115.810	C2	C3	H8	121.167
C2	C3	H9	121.112	C3	C2	H7	119.138
C4	C1	H6	116.248	C4	C5	H12	118.173
C4	C5	H13	117.846	C5	C1	H6	116.248
C5	C4	H10	118.173	C5	C4	H11	117.846
H8	C3	H9	117.720	H10	C4	H11	115.274
H12	C5	H13	115.274

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)