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	hartrees
Energy at 0K	-155.472056
Energy at 298.15K
HF Energy	-154.893547
Nuclear repulsion energy	107.760744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3130	0.03
2	A'	3129	2983	19.08
3	A'	3056	2914	67.21
4	A'	3042	2900	25.05
5	A'	1866	1779	11.25
6	A'	1549	1477	4.53
7	A'	1516	1445	9.27
8	A'	1441	1374	0.33
9	A'	1225	1168	2.88
10	A'	1104	1053	8.20
11	A'	1083	1033	33.71
12	A'	994	948	6.52
13	A'	951	907	15.83
14	A'	687	655	0.61
15	A'	326	311	1.68
16	A"	3123	2977	51.49
17	A"	3106	2961	20.55
18	A"	1507	1437	9.54
19	A"	1130	1078	1.29
20	A"	1058	1009	0.12
21	A"	1002	956	1.76
22	A"	688	656	35.02
23	A"	291	277	13.89
24	A"	150	143	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.178	0.000
C2	-0.050	-1.336	0.000
C3	1.158	-0.417	0.000
C4	-0.840	1.402	0.000
H5	-0.324	-1.867	0.916
H6	-0.324	-1.867	-0.916
H7	2.237	-0.369	0.000
H8	-0.222	2.306	0.000
H9	-1.490	1.417	-0.883
H10	-1.490	1.417	0.883

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5145	1.3021	1.4841	2.2644	2.2644	2.3032	2.1394	2.1296	2.1296
C2	1.5145		1.5175	2.8491	1.0942	1.0942	2.4829	3.6456	3.2299	3.2299
C3	1.3021	1.5175		2.7017	2.2673	2.2673	1.0802	3.0527	3.3400	3.3400
C4	1.4841	2.8491	2.7017		3.4338	3.4338	3.5500	1.0949	1.0968	1.0968
H5	2.2644	1.0942	2.2673	3.4338		1.8319	3.1060	4.2737	3.9221	3.4852
H6	2.2644	1.0942	2.2673	3.4338	1.8319		3.1060	4.2737	3.4852	3.9221
H7	2.3032	2.4829	1.0802	3.5500	3.1060	3.1060		3.6336	4.2262	4.2262
H8	2.1394	3.6456	3.0527	1.0949	4.2737	4.2737	3.6336		1.7823	1.7823
H9	2.1296	3.2299	3.3400	1.0968	3.9221	3.4852	4.2262	1.7823		1.7665
H10	2.1296	3.2299	3.3400	1.0968	3.4852	3.9221	4.2262	1.7823	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.864	H1	C2	C6	119.595
C2	C3	C6	24.806	C2	C3	C10	72.629
C2	C6	C3	35.582	C2	C6	H4	49.595
C2	C6	H5	33.162	C3	C2	C6	119.612
C3	C6	H4	51.784	C3	C6	H5	66.173
C3	C10	H7	9.430	C3	C10	H8	65.097
C3	C10	H9	74.666	H4	C6	H5	74.529
C6	C3	C10	86.540	H7	C10	H8	58.663
H7	C10	H9	77.937	H8	C10	H9	60.294

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

using model chemistry: CCSD/6-311G*

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: CCSD/6-311G*

States and conformations

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