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	hartrees
Energy at 0K	-194.749746
Energy at 298.15K	-194.757946
HF Energy	-193.963612
Nuclear repulsion energy	163.329641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3313	3129	6.95
2	A'	3312	3128	6.31
3	A'	3226	3047	5.41
4	A'	3214	3036	1.06
5	A'	3209	3031	5.32
6	A'	3193	3016	6.22
7	A'	1707	1612	17.37
8	A'	1522	1438	1.20
9	A'	1483	1400	0.33
10	A'	1370	1294	0.63
11	A'	1326	1252	2.80
12	A'	1251	1182	3.15
13	A'	1240	1171	1.77
14	A'	1065	1005	2.68
15	A'	1012	956	3.50
16	A'	994	939	31.81
17	A'	841	794	0.72
18	A'	777	734	0.10
19	A'	444	419	0.88
20	A'	264	249	1.10
21	A"	3300	3117	0.05
22	A"	3205	3027	9.09
23	A"	1484	1401	1.35
24	A"	1211	1144	0.54
25	A"	1145	1082	2.39
26	A"	1079	1019	5.25
27	A"	1040	982	7.30
28	A"	937	885	5.66
29	A"	926	875	35.72
30	A"	847	800	4.58
31	A"	688	650	4.79
32	A"	317	300	0.82
33	A"	125	118	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.397	0.287	0.000
C2	0.255	-1.031	0.000
C3	-0.389	-2.202	0.000
C4	0.255	1.428	0.750
C5	0.255	1.428	-0.750
H6	-1.481	0.272	0.000
H7	1.344	-1.021	0.000
H8	0.146	-3.142	0.000
H9	-1.472	-2.248	0.000
H10	-0.393	2.126	1.262
H11	1.187	1.215	1.256
H12	-0.393	2.126	-1.262
H13	1.187	1.215	-1.256

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4707	2.4887	1.5135	1.5135	1.0840	2.1773	3.4712	2.7528	2.2305	2.2250	2.2305	2.2250
C2	1.4707		1.3364	2.5712	2.5712	2.1711	1.0883	2.1132	2.1124	3.4611	2.7371	3.4611	2.7371
C3	2.4887	1.3364		3.7623	3.7623	2.7041	2.0970	1.0815	1.0834	4.5079	3.9671	4.5079	3.9671
C4	1.5135	2.5712	3.7623		1.4993	2.2168	2.7829	4.6322	4.1300	1.0813	1.0820	2.2259	2.2221
C5	1.5135	2.5712	3.7623	1.4993		2.2168	2.7829	4.6322	4.1300	2.2259	2.2221	1.0813	1.0820
H6	1.0840	2.1711	2.7041	2.2168	2.2168		3.1066	3.7816	2.5197	2.4928	3.0964	2.4928	3.0964
H7	2.1773	1.0883	2.0970	2.7829	2.7829	3.1066		2.4354	3.0710	3.8091	2.5694	3.8091	2.5694
H8	3.4712	2.1132	1.0815	4.6322	4.6322	3.7816	2.4354		1.8483	5.4431	4.6520	5.4431	4.6520
H9	2.7528	2.1124	1.0834	4.1300	4.1300	2.5197	3.0710	1.8483		4.6780	4.5428	4.6780	4.5428
H10	2.2305	3.4611	4.5079	1.0813	2.2259	2.4928	3.8091	5.4431	4.6780		1.8237	2.5247	3.1096
H11	2.2250	2.7371	3.9671	1.0820	2.2221	3.0964	2.5694	4.6520	4.5428	1.8237		3.1096	2.5126
H12	2.2305	3.4611	4.5079	2.2259	1.0813	2.4928	3.8091	5.4431	4.6780	2.5247	3.1096		1.8237
H13	2.2250	2.7371	3.9671	2.2221	1.0820	3.0964	2.5694	4.6520	4.5428	3.1096	2.5126	1.8237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.819	C1	C2	H7	115.800
C1	C4	C5	60.312	C1	C4	H10	117.567
C1	C4	H11	117.038	C1	C5	C4	60.312
C1	C5	H12	117.567	C1	C5	H13	117.038
C2	C1	C4	118.981	C2	C1	C5	118.981
C2	C1	H6	115.563	C2	C3	H8	121.491
C2	C3	H9	121.261	C3	C2	H7	119.381
C4	C1	H6	116.194	C4	C5	H12	118.305
C4	C5	H13	117.923	C5	C1	H6	116.194
C5	C4	H10	118.305	C5	C4	H11	117.923
H8	C3	H9	117.247	H10	C4	H11	114.921
H12	C5	H13	114.921

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)