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	hartrees
Energy at 0K	-155.490144
Energy at 298.15K
HF Energy	-154.883171
Nuclear repulsion energy	107.070145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3293	0.12
2	A'	3125	3125	18.21
3	A'	3058	3058	71.68
4	A'	3036	3036	26.14
5	A'	1850	1850	13.91
6	A'	1521	1521	4.82
7	A'	1481	1481	7.51
8	A'	1401	1401	0.23
9	A'	1202	1202	3.51
10	A'	1084	1084	5.86
11	A'	1064	1064	26.19
12	A'	984	984	6.35
13	A'	939	939	12.13
14	A'	674	674	0.66
15	A'	319	319	1.45
16	A"	3129	3129	44.45
17	A"	3106	3106	16.47
18	A"	1475	1475	6.72
19	A"	1105	1105	2.04
20	A"	1041	1041	0.01
21	A"	988	988	1.51
22	A"	684	684	33.27
23	A"	274	274	12.07
24	A"	162	162	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.179	0.000
C2	-0.067	-1.343	0.000
C3	1.161	-0.434	0.000
C4	-0.828	1.421	0.000
H5	-0.348	-1.874	0.922
H6	-0.348	-1.874	-0.922
H7	2.247	-0.399	0.000
H8	-0.192	2.320	0.000
H9	-1.480	1.443	-0.890
H10	-1.480	1.443	0.890

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5241	1.3134	1.4921	2.2775	2.2775	2.3205	2.1494	2.1396	2.1396
C2	1.5241		1.5283	2.8668	1.1003	1.1003	2.4993	3.6656	3.2482	3.2482
C3	1.3134	1.5283		2.7197	2.2808	2.2808	1.0863	3.0686	3.3600	3.3600
C4	1.4921	2.8668	2.7197		3.4546	3.4546	3.5733	1.1017	1.1033	1.1033
H5	2.2775	1.1003	2.2808	3.4546		1.8441	3.1240	4.2970	3.9453	3.5047
H6	2.2775	1.1003	2.2808	3.4546	1.8441		3.1240	4.2970	3.5047	3.9453
H7	2.3205	2.4993	1.0863	3.5733	3.1240	3.1240		3.6529	4.2514	4.2514
H8	2.1494	3.6656	3.0686	1.1017	4.2970	4.2970	3.6529		1.7943	1.7943
H9	2.1396	3.2482	3.3600	1.1033	3.9453	3.5047	4.2514	1.7943		1.7801
H10	2.1396	3.2482	3.3600	1.1033	3.5047	3.9453	4.2514	1.7943	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.968	H1	C2	C6	119.534
C2	C3	C6	24.830	C2	C3	C10	72.583
C2	C6	C3	35.683	C2	C6	H4	49.607
C2	C6	H5	33.071	C3	C2	C6	119.487
C3	C6	H4	51.826	C3	C6	H5	66.155
C3	C10	H7	9.423	C3	C10	H8	65.015
C3	C10	H9	74.639	H4	C6	H5	74.520
C6	C3	C10	86.537	H7	C10	H8	58.596
H7	C10	H9	77.915	H8	C10	H9	60.262

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

using model chemistry: CCSD/daug-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: CCSD/daug-cc-pVDZ

States and conformations

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