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	hartrees
Energy at 0K	-155.462880
Energy at 298.15K
HF Energy	-154.878089
Nuclear repulsion energy	107.192000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3165	0.17
2	A'	3166	3029	15.59
3	A'	3080	2946	61.58
4	A'	3067	2934	26.96
5	A'	1880	1798	9.57
6	A'	1529	1462	5.87
7	A'	1484	1420	7.28
8	A'	1414	1353	0.53
9	A'	1224	1171	2.12
10	A'	1106	1058	14.24
11	A'	1081	1034	17.80
12	A'	995	951	5.63
13	A'	949	908	11.93
14	A'	689	659	0.64
15	A'	321	307	1.31
16	A"	3153	3016	44.78
17	A"	3145	3009	20.61
18	A"	1481	1417	7.04
19	A"	1119	1070	1.56
20	A"	1050	1004	0.32
21	A"	995	952	1.91
22	A"	724	692	27.01
23	A"	292	279	10.45
24	A"	154	147	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.058	-1.339	0.000
C3	1.162	-0.428	0.000
C4	-0.835	1.413	0.000
H5	-0.339	-1.874	0.923
H6	-0.339	-1.874	-0.923
H7	2.250	-0.386	0.000
H8	-0.207	2.320	0.000
H9	-1.489	1.433	-0.890
H10	-1.489	1.433	0.890

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5202	1.3112	1.4897	2.2772	2.2772	2.3200	2.1504	2.1402	2.1402
C2	1.5202		1.5223	2.8604	1.1032	1.1032	2.4968	3.6626	3.2444	3.2444
C3	1.3112	1.5223		2.7164	2.2791	2.2791	1.0890	3.0703	3.3591	3.3591
C4	1.4897	2.8604	2.7164		3.4507	3.4507	3.5716	1.1031	1.1049	1.1049
H5	2.2772	1.1032	2.2791	3.4507		1.8461	3.1253	4.2968	3.9430	3.5015
H6	2.2772	1.1032	2.2791	3.4507	1.8461		3.1253	4.2968	3.5015	3.9430
H7	2.3200	2.4968	1.0890	3.5716	3.1253	3.1253		3.6552	4.2524	4.2524
H8	2.1504	3.6626	3.0703	1.1031	4.2968	4.2968	3.6552		1.7957	1.7957
H9	2.1402	3.2444	3.3591	1.1049	3.9430	3.5015	4.2524	1.7957		1.7804
H10	2.1402	3.2444	3.3591	1.1049	3.5015	3.9430	4.2524	1.7957	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.058	H1	C2	C6	119.616
C2	C3	C6	24.885	C2	C3	C10	72.503
C2	C6	C3	35.496	C2	C6	H4	49.524
C2	C6	H5	33.208	C3	C2	C6	119.619
C3	C6	H4	51.821	C3	C6	H5	66.109
C3	C10	H7	9.454	C3	C10	H8	65.091
C3	C10	H9	74.632	H4	C6	H5	74.485
C6	C3	C10	86.517	H7	C10	H8	58.646
H7	C10	H9	77.916	H8	C10	H9	60.281

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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