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	hartrees
Energy at 0K	-155.152212
Energy at 298.15K
HF Energy	-154.801681
Nuclear repulsion energy	105.511145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3312	3190	0.59	97.30	0.28	0.43
2	A'	3127	3012	26.12	64.25	0.74	0.85
3	A'	3087	2973	59.80	117.25	0.14	0.25
4	A'	3016	2905	33.66	166.63	0.00	0.00
5	A'	1768	1703	9.86	13.28	0.10	0.18
6	A'	1548	1491	3.07	8.95	0.56	0.72
7	A'	1534	1477	11.30	16.31	0.70	0.82
8	A'	1459	1406	1.85	4.31	0.75	0.86
9	A'	1187	1143	10.90	3.06	0.21	0.35
10	A'	1109	1068	23.33	2.24	0.15	0.26
11	A'	1074	1034	36.45	4.41	0.28	0.44
12	A'	960	925	1.65	9.76	0.62	0.76
13	A'	936	901	9.74	17.85	0.18	0.31
14	A'	623	600	0.38	17.31	0.65	0.79
15	A'	331	319	2.13	1.74	0.73	0.85
16	A"	3183	3065	51.77	59.73	0.75	0.86
17	A"	3110	2996	25.23	60.10	0.75	0.86
18	A"	1522	1466	10.79	13.36	0.75	0.86
19	A"	1133	1091	0.09	0.58	0.75	0.86
20	A"	1066	1027	0.77	3.12	0.75	0.86
21	A"	988	951	2.58	13.36	0.75	0.86
22	A"	697	671	47.54	1.74	0.75	0.86
23	A"	285	275	19.74	1.56	0.75	0.86
24	A"	131	126	0.40	0.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.188	0.000
C2	-0.092	-1.375	0.000
C3	1.178	-0.446	0.000
C4	-0.821	1.451	0.000
H5	-0.371	-1.898	0.925
H6	-0.371	-1.898	-0.925
H7	2.261	-0.419	0.000
H8	-0.170	2.342	0.000
H9	-1.472	1.485	-0.892
H10	-1.472	1.485	0.892

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5662	1.3382	1.5058	2.3118	2.3118	2.3407	2.1607	2.1549	2.1549
C2	1.5662		1.5740	2.9185	1.0985	1.0985	2.5396	3.7184	3.2985	3.2985
C3	1.3382	1.5740		2.7557	2.3159	2.3159	1.0826	3.0971	3.3982	3.3982
C4	1.5058	2.9185	2.7557		3.5029	3.5029	3.6041	1.1039	1.1053	1.1053
H5	2.3118	1.0985	2.3159	3.5029		1.8504	3.1572	4.3444	3.9946	3.5572
H6	2.3118	1.0985	2.3159	3.5029	1.8504		3.1572	4.3444	3.5572	3.9946
H7	2.3407	2.5396	1.0826	3.6041	3.1572	3.1572		3.6784	4.2838	4.2838
H8	2.1607	3.7184	3.0971	1.1039	4.3444	4.3444	3.6784		1.7965	1.7965
H9	2.1549	3.2985	3.3982	1.1053	3.9946	3.5572	4.2838	1.7965		1.7850
H10	2.1549	3.2985	3.3982	1.1053	3.5572	3.9946	4.2838	1.7965	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.448	H1	C2	C6	119.316
C2	C3	C6	24.495	C2	C3	C10	72.903
C2	C6	C3	36.448	C2	C6	H4	49.877
C2	C6	H5	32.621	C3	C2	C6	119.057
C3	C6	H4	51.772	C3	C6	H5	66.453
C3	C10	H7	9.361	C3	C10	H8	64.881
C3	C10	H9	74.773	H4	C6	H5	74.685
C6	C3	C10	86.523	H7	C10	H8	58.475
H7	C10	H9	77.975	H8	C10	H9	60.211

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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