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	hartrees
Energy at 0K	-155.162836
Energy at 298.15K
HF Energy	-154.792266
Nuclear repulsion energy	106.661459

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'	3317	3152	0.37	110.72	0.28	0.43
2	A'	3141	2985	20.57	76.40	0.74	0.85
3	A'	3120	2964	46.40	117.18	0.14	0.24
4	A'	3050	2898	25.39	141.21	0.00	0.01
5	A'	1811	1721	7.92	12.05	0.17	0.30
6	A'	1595	1516	6.69	16.12	0.42	0.60
7	A'	1564	1486	7.77	25.59	0.72	0.84
8	A'	1485	1411	0.32	12.89	0.63	0.77
9	A'	1220	1159	5.36	1.97	0.28	0.44
10	A'	1139	1083	11.17	0.97	0.21	0.35
11	A'	1109	1054	35.87	1.39	0.39	0.56
12	A'	988	939	0.27	7.91	0.55	0.71
13	A'	955	907	9.67	12.62	0.37	0.54
14	A'	646	613	0.16	15.21	0.63	0.77
15	A'	339	322	1.40	1.91	0.71	0.83
16	A"	3200	3040	54.19	80.14	0.75	0.86
17	A"	3123	2967	18.62	75.90	0.75	0.86
18	A"	1552	1474	7.73	21.98	0.75	0.86
19	A"	1155	1098	0.60	2.29	0.75	0.86
20	A"	1083	1029	0.70	2.94	0.75	0.86
21	A"	1024	973	1.80	17.13	0.75	0.86
22	A"	660	627	39.73	0.98	0.75	0.86
23	A"	272	259	13.63	1.24	0.75	0.86
24	A"	136	129	0.60	0.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.181	0.000
C2	-0.134	-1.357	0.000
C3	1.143	-0.483	0.000
C4	-0.755	1.464	0.000
H5	-0.434	-1.870	0.916
H6	-0.434	-1.870	-0.916
H7	2.223	-0.482	0.000
H8	-0.068	2.322	0.000
H9	-1.402	1.537	-0.887
H10	-1.402	1.537	0.887

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5437	1.3216	1.4895	2.2879	2.2879	2.3194	2.1422	2.1430	2.1430
C2	1.5437		1.5478	2.8891	1.0920	1.0920	2.5145	3.6796	3.2818	3.2818
C3	1.3216	1.5478		2.7195	2.2915	2.2915	1.0800	3.0551	3.3681	3.3681
C4	1.4895	2.8891	2.7195		3.4732	3.4732	3.5576	1.0987	1.1002	1.1002
H5	2.2879	1.0920	2.2915	3.4732		1.8324	3.1348	4.3066	3.9746	3.5422
H6	2.2879	1.0920	2.2915	3.4732	1.8324		3.1348	4.3066	3.5422	3.9746
H7	2.3194	2.5145	1.0800	3.5576	3.1348	3.1348		3.6205	4.2429	4.2429
H8	2.1422	3.6796	3.0551	1.0987	4.3066	4.3066	3.6205		1.7839	1.7839
H9	2.1430	3.2818	3.3681	1.1002	3.9746	3.5422	4.2429	1.7839		1.7738
H10	2.1430	3.2818	3.3681	1.1002	3.5422	3.9746	4.2429	1.7839	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.616	H1	C2	C6	119.472
C2	C3	C6	24.514	C2	C3	C10	73.449
C2	C6	C3	36.020	C2	C6	H4	49.679
C2	C6	H5	32.969	C3	C2	C6	119.466
C3	C6	H4	51.456	C3	C6	H5	66.433
C3	C10	H7	9.610	C3	C10	H8	64.397
C3	C10	H9	74.733	H4	C6	H5	74.705
C6	C3	C10	87.037	H7	C10	H8	57.756
H7	C10	H9	77.935	H8	C10	H9	60.187

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

using model chemistry: MP2=FULL/6-31G

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=FULL/6-31G

States and conformations

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