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	hartrees
Energy at 0K	-155.410405
Energy at 298.15K
HF Energy	-154.866921
Nuclear repulsion energy	108.073591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3347	3141	0.00
2	A'	3191	2995	14.89
3	A'	3113	2922	62.13
4	A'	3100	2910	19.32
5	A'	1922	1804	9.02
6	A'	1588	1491	7.38
7	A'	1546	1451	8.19
8	A'	1465	1375	0.10
9	A'	1255	1178	1.93
10	A'	1134	1064	14.35
11	A'	1118	1049	25.38
12	A'	1016	953	4.66
13	A'	976	916	13.79
14	A'	706	662	0.25
15	A'	334	313	1.45
16	A"	3176	2981	49.03
17	A"	3169	2974	19.09
18	A"	1538	1444	7.85
19	A"	1158	1087	1.09
20	A"	1079	1012	0.45
21	A"	1022	959	2.02
22	A"	702	659	32.13
23	A"	291	273	11.51
24	A"	151	141	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.177	0.000
C2	-0.043	-1.330	0.000
C3	1.156	-0.412	0.000
C4	-0.844	1.395	0.000
H5	-0.318	-1.866	0.912
H6	-0.318	-1.866	-0.912
H7	2.234	-0.361	0.000
H8	-0.230	2.299	0.000
H9	-1.492	1.408	-0.882
H10	-1.492	1.408	0.882

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5074	1.2973	1.4816	2.2596	2.2596	2.2974	2.1346	2.1264	2.1264
C2	1.5074		1.5100	2.8400	1.0932	1.0932	2.4736	3.6338	3.2213	3.2213
C3	1.2973	1.5100		2.6950	2.2627	2.2627	1.0786	3.0445	3.3323	3.3323
C4	1.4816	2.8400	2.6950		3.4262	3.4262	3.5432	1.0932	1.0951	1.0951
H5	2.2596	1.0932	2.2627	3.4262		1.8242	3.0994	4.2645	3.9137	3.4781
H6	2.2596	1.0932	2.2627	3.4262	1.8242		3.0994	4.2645	3.4781	3.9137
H7	2.2974	2.4736	1.0786	3.5432	3.0994	3.0994		3.6257	4.2180	4.2180
H8	2.1346	3.6338	3.0445	1.0932	4.2645	4.2645	3.6257		1.7795	1.7795
H9	2.1264	3.2213	3.3323	1.0951	3.9137	3.4781	4.2180	1.7795		1.7648
H10	2.1264	3.2213	3.3323	1.0951	3.4781	3.9137	4.2180	1.7795	1.7648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.926	H1	C2	C6	119.810
C2	C3	C6	24.766	C2	C3	C10	72.610
C2	C6	C3	35.355	C2	C6	H4	49.464
C2	C6	H5	33.449	C3	C2	C6	119.880
C3	C6	H4	51.765	C3	C6	H5	66.227
C3	C10	H7	9.418	C3	C10	H8	65.055
C3	C10	H9	74.645	H4	C6	H5	74.561
C6	C3	C10	86.551	H7	C10	H8	58.642
H7	C10	H9	77.924	H8	C10	H9	60.273

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)

using model chemistry: MP3/6-31G*

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 C4H6 (1-Methylcyclopropene)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)