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	hartrees
Energy at 0K	-155.513310
Energy at 298.15K
HF Energy	-154.887552
Nuclear repulsion energy	108.244548

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'	3352	3166	0.80	102.65	0.29	0.45
2	A'	3203	3026	8.17	68.34	0.74	0.85
3	A'	3120	2947	49.85	111.01	0.13	0.23
4	A'	3099	2927	14.67	141.90	0.01	0.02
5	A'	1850	1748	8.48	24.13	0.18	0.30
6	A'	1545	1459	6.56	13.34	0.41	0.58
7	A'	1511	1427	8.02	17.51	0.69	0.82
8	A'	1421	1342	0.08	9.05	0.62	0.76
9	A'	1218	1150	1.96	4.51	0.33	0.50
10	A'	1103	1041	7.54	2.15	0.18	0.30
11	A'	1077	1018	28.28	0.21	0.21	0.34
12	A'	998	942	4.96	8.52	0.37	0.54
13	A'	963	910	12.26	7.53	0.56	0.72
14	A'	694	655	0.22	14.25	0.56	0.71
15	A'	324	306	1.60	1.39	0.73	0.85
16	A"	3199	3022	33.01	72.69	0.75	0.86
17	A"	3180	3004	7.72	69.90	0.75	0.86
18	A"	1507	1423	7.05	13.48	0.75	0.86
19	A"	1135	1072	0.87	1.98	0.75	0.86
20	A"	1059	1000	0.57	3.28	0.75	0.86
21	A"	1008	952	2.83	8.20	0.75	0.86
22	A"	749	708	24.71	0.78	0.75	0.86
23	A"	300	284	9.27	0.79	0.75	0.86
24	A"	163	154	0.36	0.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.181	0.000
C2	-0.048	-1.327	0.000
C3	1.155	-0.418	0.000
C4	-0.838	1.393	0.000
H5	-0.321	-1.853	0.913
H6	-0.321	-1.853	-0.913
H7	2.229	-0.378	0.000
H8	-0.229	2.298	0.000
H9	-1.487	1.406	-0.879
H10	-1.487	1.406	0.879

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5082	1.3012	1.4741	2.2526	2.2526	2.2976	2.1296	2.1180	2.1180
C2	1.5082		1.5082	2.8326	1.0890	1.0890	2.4667	3.6292	3.2115	3.2115
C3	1.3012	1.5082		2.6934	2.2526	2.2526	1.0741	3.0481	3.3290	3.3290
C4	1.4741	2.8326	2.6934		3.4122	3.4122	3.5414	1.0905	1.0925	1.0925
H5	2.2526	1.0890	2.2526	3.4122		1.8267	3.0842	4.2515	3.8984	3.4623
H6	2.2526	1.0890	2.2526	3.4122	1.8267		3.0842	4.2515	3.4623	3.8984
H7	2.2976	2.4667	1.0741	3.5414	3.0842	3.0842		3.6329	4.2145	4.2145
H8	2.1296	3.6292	3.0481	1.0905	4.2515	4.2515	3.6329		1.7748	1.7748
H9	2.1180	3.2115	3.3290	1.0925	3.8984	3.4623	4.2145	1.7748		1.7573
H10	2.1180	3.2115	3.3290	1.0925	3.4623	3.8984	4.2145	1.7748	1.7573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.109	H1	C2	C6	119.423
C2	C3	C6	24.901	C2	C3	C10	72.356
C2	C6	C3	35.672	C2	C6	H4	49.714
C2	C6	H5	32.994	C3	C2	C6	119.427
C3	C6	H4	52.006	C3	C6	H5	66.080
C3	C10	H7	9.309	C3	C10	H8	65.281
C3	C10	H9	74.696	H4	C6	H5	74.474
C6	C3	C10	86.333	H7	C10	H8	58.959
H7	C10	H9	77.966	H8	C10	H9	60.324

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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