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	hartrees
Energy at 0K	-155.414557
Energy at 298.15K
HF Energy	-154.866657
Nuclear repulsion energy	107.979419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3144	0.05
2	A'	3165	2996	15.89
3	A'	3091	2925	60.72
4	A'	3074	2910	21.47
5	A'	1908	1806	8.84
6	A'	1580	1496	6.91
7	A'	1539	1457	7.66
8	A'	1460	1382	0.07
9	A'	1252	1185	1.89
10	A'	1131	1071	11.55
11	A'	1115	1055	25.74
12	A'	1012	958	4.57
13	A'	972	920	13.38
14	A'	702	664	0.25
15	A'	333	315	1.40
16	A"	3155	2986	51.23
17	A"	3144	2976	17.32
18	A"	1531	1449	7.47
19	A"	1154	1092	1.12
20	A"	1075	1018	0.46
21	A"	1018	964	1.86
22	A"	704	666	30.97
23	A"	291	276	11.04
24	A"	149	141	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.177	0.000
C2	-0.045	-1.330	0.000
C3	1.156	-0.415	0.000
C4	-0.842	1.397	0.000
H5	-0.322	-1.867	0.914
H6	-0.322	-1.867	-0.914
H7	2.236	-0.368	0.000
H8	-0.225	2.302	0.000
H9	-1.492	1.413	-0.884
H10	-1.492	1.413	0.884

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5078	1.2990	1.4825	2.2614	2.2614	2.3009	2.1374	2.1294	2.1294
C2	1.5078		1.5096	2.8415	1.0950	1.0950	2.4752	3.6371	3.2250	3.2250
C3	1.2990	1.5096		2.6977	2.2636	2.2636	1.0806	3.0488	3.3369	3.3369
C4	1.4825	2.8415	2.6977		3.4289	3.4289	3.5476	1.0953	1.0971	1.0971
H5	2.2614	1.0950	2.2636	3.4289		1.8273	3.1018	4.2690	3.9188	3.4823
H6	2.2614	1.0950	2.2636	3.4289	1.8273		3.1018	4.2690	3.4823	3.9188
H7	2.3009	2.4752	1.0806	3.5476	3.1018	3.1018		3.6311	4.2242	4.2242
H8	2.1374	3.6371	3.0488	1.0953	4.2690	4.2690	3.6311		1.7820	1.7820
H9	2.1294	3.2250	3.3369	1.0971	3.9188	3.4823	4.2242	1.7820		1.7679
H10	2.1294	3.2250	3.3369	1.0971	3.4823	3.9188	4.2242	1.7820	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.999	H1	C2	C6	119.809
C2	C3	C6	24.805	C2	C3	C10	72.597
C2	C6	C3	35.335	C2	C6	H4	49.443
C2	C6	H5	33.449	C3	C2	C6	119.860
C3	C6	H4	51.780	C3	C6	H5	66.195
C3	C10	H7	9.423	C3	C10	H8	65.056
C3	C10	H9	74.639	H4	C6	H5	74.546
C6	C3	C10	86.577	H7	C10	H8	58.641
H7	C10	H9	77.921	H8	C10	H9	60.261

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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