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	hartrees
Energy at 0K	-25.817334
Energy at 298.15K
HF Energy	-25.332513
Nuclear repulsion energy	57.182190

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'	3304	3137	0.17	87.05	0.35	0.52
2	A'	3197	3036	19.04	66.17	0.75	0.85
3	A'	3109	2952	68.46	124.93	0.16	0.27
4	A'	3086	2929	29.72	166.96	0.00	0.00
5	A'	1829	1736	11.42	19.95	0.13	0.23
6	A'	1541	1463	5.43	9.28	0.69	0.82
7	A'	1508	1432	9.63	14.92	0.67	0.80
8	A'	1431	1358	0.01	4.76	0.62	0.76
9	A'	1215	1154	6.98	6.93	0.29	0.45
10	A'	1078	1023	1.61	8.98	0.17	0.29
11	A'	1058	1005	39.66	1.24	0.23	0.37
12	A'	987	937	6.83	11.72	0.32	0.48
13	A'	932	885	15.40	5.19	0.43	0.60
14	A'	671	637	0.96	13.82	0.64	0.78
15	A'	315	299	2.33	1.22	0.73	0.84
16	A"	3202	3040	53.15	63.66	0.75	0.86
17	A"	3179	3018	20.61	65.30	0.75	0.86
18	A"	1503	1427	9.98	14.39	0.75	0.86
19	A"	1109	1052	0.22	0.22	0.75	0.86
20	A"	1045	992	0.35	5.18	0.75	0.86
21	A"	1001	950	3.42	10.30	0.75	0.86
22	A"	697	662	52.09	5.81	0.75	0.86
23	A"	297	282	20.31	1.12	0.75	0.86
24	A"	146	138	0.19	0.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.185	0.000
C2	-0.069	-1.351	0.000
C3	1.181	-0.443	0.000
C4	-0.842	1.433	0.000
H5	-0.349	-1.876	0.927
H6	-0.349	-1.876	-0.927
H7	2.270	-0.419	0.000
H8	-0.206	2.334	0.000
H9	-1.494	1.446	-0.892
H10	-1.494	1.446	0.892

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5370	1.3375	1.5057	2.2868	2.2868	2.3484	2.1588	2.1493	2.1493
C2	1.5370		1.5449	2.8891	1.1022	1.1022	2.5170	3.6870	3.2637	3.2637
C3	1.3375	1.5449		2.7590	2.2930	2.2930	1.0886	3.1036	3.3943	3.3943
C4	1.5057	2.8891	2.7590		3.4717	3.4717	3.6211	1.1031	1.1048	1.1048
H5	2.2868	1.1022	2.2930	3.4717		1.8547	3.1374	4.3133	3.9574	3.5145
H6	2.2868	1.1022	2.2930	3.4717	1.8547		3.1374	4.3133	3.5145	3.9574
H7	2.3484	2.5170	1.0886	3.6211	3.1374	3.1374		3.7018	4.2940	4.2940
H8	2.1588	3.6870	3.1036	1.1031	4.3133	4.3133	3.7018		1.8007	1.8007
H9	2.1493	3.2637	3.3943	1.1048	3.9574	3.5145	4.2940	1.8007		1.7844
H10	2.1493	3.2637	3.3943	1.1048	3.5145	3.9574	4.2940	1.8007	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.442	H1	C2	C6	119.185
C2	C3	C6	24.835	C2	C3	C10	71.914
C2	C6	C3	36.064	C2	C6	H4	49.987
C2	C6	H5	32.721	C3	C2	C6	119.100
C3	C6	H4	52.472	C3	C6	H5	66.146
C3	C10	H7	9.206	C3	C10	H8	65.179
C3	C10	H9	74.760	H4	C6	H5	74.508
C6	C3	C10	85.881	H7	C10	H8	58.945
H7	C10	H9	78.008	H8	C10	H9	60.298

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

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