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	hartrees
Energy at 0K	-194.920678
Energy at 298.15K	-194.928918
HF Energy	-194.009330
Nuclear repulsion energy	164.203959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3124	8.83
2	A'	3284	3118	8.76
3	A'	3217	3054	5.52
4	A'	3205	3043	0.58
5	A'	3203	3041	8.44
6	A'	3179	3018	6.91
7	A'	1714	1627	24.56
8	A'	1528	1450	1.49
9	A'	1488	1412	0.36
10	A'	1374	1304	0.52
11	A'	1323	1256	2.63
12	A'	1254	1190	3.66
13	A'	1242	1179	2.25
14	A'	1055	1002	4.42
15	A'	1016	965	2.37
16	A'	989	939	38.89
17	A'	844	801	1.29
18	A'	782	742	0.19
19	A'	448	425	1.06
20	A'	267	253	1.08
21	A"	3277	3111	0.12
22	A"	3199	3037	11.58
23	A"	1489	1413	2.09
24	A"	1211	1149	0.90
25	A"	1143	1085	3.04
26	A"	1077	1022	6.60
27	A"	1037	985	10.84
28	A"	942	894	20.82
29	A"	934	887	27.26
30	A"	849	806	5.93
31	A"	696	661	6.13
32	A"	320	304	0.93
33	A"	125	119	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.396	0.286	0.000
C2	0.254	-1.024	0.000
C3	-0.386	-2.192	0.000
C4	0.254	1.420	0.747
C5	0.254	1.420	-0.747
H6	-1.473	0.269	0.000
H7	1.334	-1.016	0.000
H8	0.153	-3.123	0.000
H9	-1.462	-2.235	0.000
H10	-0.391	2.115	1.253
H11	1.179	1.204	1.250
H12	-0.391	2.115	-1.253
H13	1.179	1.204	-1.250

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4619	2.4773	1.5058	1.5058	1.0770	2.1658	3.4524	2.7365	2.2177	2.2113	2.2177	2.2113
C2	1.4619		1.3313	2.5556	2.5556	2.1573	1.0807	2.1013	2.1002	3.4409	2.7173	3.4409	2.7173
C3	2.4773	1.3313		3.7432	3.7432	2.6905	2.0829	1.0758	1.0777	4.4855	3.9425	4.4855	3.9425
C4	1.5058	2.5556	3.7432		1.4932	2.2056	2.7682	4.6050	4.1062	1.0748	1.0759	2.2131	2.2115
C5	1.5058	2.5556	3.7432	1.4932		2.2056	2.7682	4.6050	4.1062	2.2131	2.2115	1.0748	1.0759
H6	1.0770	2.1573	2.6905	2.2056	2.2056		3.0879	3.7617	2.5040	2.4799	3.0780	2.4799	3.0780
H7	2.1658	1.0807	2.0829	2.7682	2.7682	3.0879		2.4147	3.0505	3.7889	2.5530	3.7889	2.5530
H8	3.4524	2.1013	1.0758	4.6050	4.6050	3.7617	2.4147		1.8436	5.4133	4.6192	5.4133	4.6192
H9	2.7365	2.1002	1.0777	4.1062	4.1062	2.5040	3.0505	1.8436		4.6520	4.5131	4.6520	4.5131
H10	2.2177	3.4409	4.4855	1.0748	2.2131	2.4799	3.7889	5.4133	4.6520		1.8157	2.5064	3.0925
H11	2.2113	2.7173	3.9425	1.0759	2.2115	3.0780	2.5530	4.6192	4.5131	1.8157		3.0925	2.5002
H12	2.2177	3.4409	4.4855	2.2131	1.0748	2.4799	3.7889	5.4133	4.6520	2.5064	3.0925		1.8157
H13	2.2113	2.7173	3.9425	2.2115	1.0759	3.0780	2.5530	4.6192	4.5131	3.0925	2.5002	1.8157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.907	C1	C2	H7	116.014
C1	C4	C5	60.275	C1	C4	H10	117.516
C1	C4	H11	116.883	C1	C5	C4	60.275
C1	C5	H12	117.516	C1	C5	H13	116.883
C2	C1	C4	118.881	C2	C1	C5	118.881
C2	C1	H6	115.524	C2	C3	H8	121.250
C2	C3	H9	120.987	C3	C2	H7	119.079
C4	C1	H6	116.306	C4	C5	H12	118.118
C4	C5	H13	117.903	C5	C1	H6	116.306
C5	C4	H10	118.118	C5	C4	H11	117.903
H8	C3	H9	117.763	H10	C4	H11	115.185
H12	C5	H13	115.185

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)