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	hartrees
Energy at 0K	-155.526484
Energy at 298.15K
HF Energy	-154.916550
Nuclear repulsion energy	108.234293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3328	3176	0.17
2	A'	3150	3006	19.40
3	A'	3084	2943	67.13
4	A'	3064	2924	26.61
5	A'	1877	1792	13.89
6	A'	1563	1492	6.15
7	A'	1515	1446	7.36
8	A'	1440	1374	0.13
9	A'	1221	1165	3.36
10	A'	1108	1058	1.32
11	A'	1101	1051	38.80
12	A'	995	949	3.90
13	A'	959	915	12.87
14	A'	684	653	0.61
15	A'	330	315	1.34
16	A"	3149	3006	46.41
17	A"	3129	2986	19.01
18	A"	1501	1433	7.82
19	A"	1145	1092	2.92
20	A"	1060	1012	0.08
21	A"	1004	958	1.03
22	A"	654	624	35.72
23	A"	271	259	13.52
24	A"	148	141	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.176	0.000
C2	-0.042	-1.331	0.000
C3	1.155	-0.408	0.000
C4	-0.844	1.392	0.000
H5	-0.312	-1.860	0.913
H6	-0.312	-1.860	-0.913
H7	2.228	-0.356	0.000
H8	-0.233	2.295	0.000
H9	-1.490	1.403	-0.881
H10	-1.490	1.403	0.881

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5073	1.2941	1.4802	2.2532	2.2532	2.2904	2.1320	2.1217	2.1217
C2	1.5073		1.5111	2.8382	1.0892	1.0892	2.4703	3.6310	3.2162	3.2162
C3	1.2941	1.5111		2.6900	2.2570	2.2570	1.0743	3.0388	3.3243	3.3243
C4	1.4802	2.8382	2.6900		3.4193	3.4193	3.5345	1.0909	1.0927	1.0927
H5	2.2532	1.0892	2.2570	3.4193		1.8252	3.0901	4.2554	3.9053	3.4690
H6	2.2532	1.0892	2.2570	3.4193	1.8252		3.0901	4.2554	3.4690	3.9053
H7	2.2904	2.4703	1.0743	3.5345	3.0901	3.0901		3.6172	4.2061	4.2061
H8	2.1320	3.6310	3.0388	1.0909	4.2554	4.2554	3.6172		1.7760	1.7760
H9	2.1217	3.2162	3.3243	1.0927	3.9053	3.4690	4.2061	1.7760		1.7628
H10	2.1217	3.2162	3.3243	1.0927	3.4690	3.9053	4.2061	1.7760	1.7628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.777	H1	C2	C6	119.537
C2	C3	C6	24.820	C2	C3	C10	72.685
C2	C6	C3	35.614	C2	C6	H4	49.649
C2	C6	H5	33.088	C3	C2	C6	119.566
C3	C6	H4	51.778	C3	C6	H5	66.150
C3	C10	H7	9.411	C3	C10	H8	65.106
C3	C10	H9	74.625	H4	C6	H5	74.521
C6	C3	C10	86.587	H7	C10	H8	58.701
H7	C10	H9	77.904	H8	C10	H9	60.246

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

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

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