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	hartrees
Energy at 0K	-154.358016
Energy at 298.15K
HF Energy	-153.987660
Nuclear repulsion energy	106.855391

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'	3330	3157	0.04	94.11	0.28	0.44
2	A'	3156	2992	12.16	69.78	0.74	0.85
3	A'	3150	2986	34.16	95.56	0.14	0.24
4	A'	3076	2916	14.89	119.43	0.00	0.01
5	A'	1785	1692	8.01	10.36	0.19	0.32
6	A'	1601	1518	5.51	14.42	0.47	0.64
7	A'	1590	1507	8.19	27.25	0.72	0.84
8	A'	1491	1414	0.80	15.16	0.59	0.74
9	A'	1205	1142	6.07	1.17	0.24	0.38
10	A'	1132	1073	1.34	1.12	0.18	0.30
11	A'	1100	1042	52.50	0.77	0.66	0.79
12	A'	973	922	2.36	7.88	0.75	0.86
13	A'	921	873	3.94	12.43	0.30	0.47
14	A'	615	583	0.04	14.10	0.63	0.77
15	A'	333	316	1.74	2.05	0.70	0.82
16	A"	3236	3068	36.74	68.02	0.75	0.86
17	A"	3139	2975	11.60	69.87	0.75	0.86
18	A"	1584	1501	7.44	22.54	0.75	0.86
19	A"	1153	1093	0.17	1.97	0.75	0.86
20	A"	1096	1039	2.17	3.69	0.75	0.86
21	A"	1038	984	2.29	16.68	0.75	0.86
22	A"	731	693	38.62	1.01	0.75	0.86
23	A"	295	279	14.45	1.30	0.75	0.86
24	A"	137	130	0.41	0.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.128	-1.364	0.000
C3	1.141	-0.469	0.000
C4	-0.762	1.458	0.000
H5	-0.416	-1.867	0.919
H6	-0.416	-1.867	-0.919
H7	2.215	-0.450	0.000
H8	-0.078	2.313	0.000
H9	-1.405	1.519	-0.886
H10	-1.405	1.519	0.886

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5494	1.3131	1.4880	2.2818	2.2818	2.3027	2.1344	2.1340	2.1340
C2	1.5494		1.5534	2.8923	1.0859	1.0859	2.5148	3.6773	3.2756	3.2756
C3	1.3131	1.5534		2.7088	2.2851	2.2851	1.0735	3.0376	3.3503	3.3503
C4	1.4880	2.8923	2.7088		3.4667	3.4667	3.5362	1.0951	1.0966	1.0966
H5	2.2818	1.0859	2.2851	3.4667		1.8372	3.1254	4.2929	3.9627	3.5280
H6	2.2818	1.0859	2.2851	3.4667	1.8372		3.1254	4.2929	3.5280	3.9627
H7	2.3027	2.5148	1.0735	3.5362	3.1254	3.1254		3.5908	4.2155	4.2155
H8	2.1344	3.6773	3.0376	1.0951	4.2929	4.2929	3.5908		1.7824	1.7824
H9	2.1340	3.2756	3.3503	1.0966	3.9627	3.5280	4.2155	1.7824		1.7723
H10	2.1340	3.2756	3.3503	1.0966	3.5280	3.9627	4.2155	1.7824	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.073	H1	C2	C6	118.908
C2	C3	C6	24.588	C2	C3	C10	73.775
C2	C6	C3	36.528	C2	C6	H4	50.073
C2	C6	H5	32.231	C3	C2	C6	118.884
C3	C6	H4	51.317	C3	C6	H5	66.298
C3	C10	H7	9.701	C3	C10	H8	64.326
C3	C10	H9	74.663	H4	C6	H5	74.635
C6	C3	C10	87.216	H7	C10	H8	57.595
H7	C10	H9	77.865	H8	C10	H9	60.186

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

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

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