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	hartrees
Energy at 0K	-194.301195
Energy at 298.15K	-194.309310
HF Energy	-193.871699
Nuclear repulsion energy	159.534557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3141	35.80
2	A'	3253	3133	26.94
3	A'	3172	3055	11.53
4	A'	3149	3033	10.52
5	A'	3146	3030	10.32
6	A'	3127	3012	19.74
7	A'	1658	1597	19.79
8	A'	1530	1474	1.94
9	A'	1498	1443	0.81
10	A'	1366	1316	1.22
11	A'	1330	1281	1.83
12	A'	1249	1203	3.61
13	A'	1206	1161	0.50
14	A'	1133	1091	11.26
15	A'	1025	987	7.64
16	A'	938	903	32.16
17	A'	843	812	2.38
18	A'	779	750	2.91
19	A'	440	424	1.34
20	A'	265	255	0.86
21	A"	3246	3127	0.05
22	A"	3142	3026	24.10
23	A"	1510	1455	3.33
24	A"	1229	1184	0.92
25	A"	1177	1133	1.99
26	A"	1136	1094	9.39
27	A"	999	962	26.38
28	A"	946	911	1.82
29	A"	855	823	61.51
30	A"	823	793	18.63
31	A"	673	648	4.58
32	A"	312	300	1.88
33	A"	113	109	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.396	0.289	0.000
C2	0.263	-1.063	0.000
C3	-0.411	-2.255	0.000
C4	0.263	1.467	0.775
C5	0.263	1.467	-0.775
H6	-1.492	0.265	0.000
H7	1.363	-1.067	0.000
H8	0.119	-3.210	0.000
H9	-1.506	-2.292	0.000
H10	-0.397	2.170	1.291
H11	1.210	1.266	1.287
H12	-0.397	2.170	-1.291
H13	1.210	1.266	-1.287

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5034	2.5435	1.5570	1.5570	1.0964	2.2210	3.5369	2.8094	2.2818	2.2780	2.2818	2.2780
C2	1.5034		1.3699	2.6457	2.6457	2.2010	1.1004	2.1527	2.1546	3.5430	2.8236	3.5430	2.8236
C3	2.5435	1.3699		3.8611	3.8611	2.7420	2.1360	1.0932	1.0952	4.6096	4.0840	4.6096	4.0840
C4	1.5570	2.6457	3.8611		1.5503	2.2643	2.8689	4.7435	4.2265	1.0937	1.0946	2.2798	2.2775
C5	1.5570	2.6457	3.8611	1.5503		2.2643	2.8689	4.7435	4.2265	2.2798	2.2775	1.0937	1.0946
H6	1.0964	2.2010	2.7420	2.2643	2.2643		3.1511	3.8312	2.5575	2.5486	3.1556	2.5486	3.1556
H7	2.2210	1.1004	2.1360	2.8689	2.8689	3.1511		2.4787	3.1203	3.9042	2.6682	3.9042	2.6682
H8	3.5369	2.1527	1.0932	4.7435	4.7435	3.8312	2.4787		1.8668	5.5575	4.7835	5.5575	4.7835
H9	2.8094	2.1546	1.0952	4.2265	4.2265	2.5575	3.1203	1.8668		4.7762	4.6574	4.7762	4.6574
H10	2.2818	3.5430	4.6096	1.0937	2.2798	2.5486	3.9042	5.5575	4.7762		1.8439	2.5810	3.1688
H11	2.2780	2.8236	4.0840	1.0946	2.2775	3.1556	2.6682	4.7835	4.6574	1.8439		3.1688	2.5731
H12	2.2818	3.5430	4.6096	2.2798	1.0937	2.5486	3.9042	5.5575	4.7762	2.5810	3.1688		1.8439
H13	2.2780	2.8236	4.0840	2.2775	1.0946	3.1556	2.6682	4.7835	4.6574	3.1688	2.5731	1.8439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.486	C1	C2	H7	116.222
C1	C4	C5	60.142	C1	C4	H10	117.760
C1	C4	H11	117.371	C1	C5	C4	60.142
C1	C5	H12	117.760	C1	C5	H13	117.371
C2	C1	C4	119.636	C2	C1	C5	119.636
C2	C1	H6	114.785	C2	C3	H8	121.442
C2	C3	H9	121.467	C3	C2	H7	119.292
C4	C1	H6	116.076	C4	C5	H12	118.113
C4	C5	H13	117.855	C5	C1	H6	116.076
C5	C4	H10	118.113	C5	C4	H11	117.855
H8	C3	H9	117.091	H10	C4	H11	114.836
H12	C5	H13	114.836

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)