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	hartrees
Energy at 0K	-155.518032
Energy at 298.15K
HF Energy	-154.904047
Nuclear repulsion energy	107.782213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	3305	0.08
2	A'	3141	3141	18.88
3	A'	3071	3071	66.66
4	A'	3055	3055	25.63
5	A'	1866	1866	11.69
6	A'	1551	1551	5.86
7	A'	1511	1511	7.39
8	A'	1431	1431	0.10
9	A'	1223	1223	2.83
10	A'	1104	1104	9.22
11	A'	1092	1092	29.28
12	A'	995	995	4.95
13	A'	956	956	12.87
14	A'	688	688	0.48
15	A'	325	325	1.35
16	A"	3138	3138	52.41
17	A"	3120	3120	19.84
18	A"	1504	1504	7.46
19	A"	1136	1136	2.44
20	A"	1063	1063	0.06
21	A"	1007	1007	1.46
22	A"	714	714	31.71
23	A"	291	291	11.88
24	A"	151	151	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.178	0.000
C2	-0.043	-1.335	0.000
C3	1.160	-0.412	0.000
C4	-0.848	1.398	0.000
H5	-0.315	-1.866	0.916
H6	-0.315	-1.866	-0.916
H7	2.238	-0.360	0.000
H8	-0.234	2.304	0.000
H9	-1.496	1.407	-0.885
H10	-1.496	1.407	0.885

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5138	1.3016	1.4857	2.2622	2.2622	2.3015	2.1391	2.1284	2.1284
C2	1.5138		1.5169	2.8493	1.0933	1.0933	2.4803	3.6445	3.2270	3.2270
C3	1.3016	1.5169		2.7034	2.2656	2.2656	1.0785	3.0529	3.3384	3.3384
C4	1.4857	2.8493	2.7034		3.4320	3.4320	3.5513	1.0946	1.0964	1.0964
H5	2.2622	1.0933	2.2656	3.4320		1.8320	3.1025	4.2707	3.9180	3.4799
H6	2.2622	1.0933	2.2656	3.4320	1.8320		3.1025	4.2707	3.4799	3.9180
H7	2.3015	2.4803	1.0785	3.5513	3.1025	3.1025		3.6342	4.2242	4.2242
H8	2.1391	3.6445	3.0529	1.0946	4.2707	4.2707	3.6342		1.7831	1.7831
H9	2.1284	3.2270	3.3384	1.0964	3.9180	3.4799	4.2242	1.7831		1.7692
H10	2.1284	3.2270	3.3384	1.0964	3.4799	3.9180	4.2242	1.7831	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.870	H1	C2	C6	119.514
C2	C3	C6	24.818	C2	C3	C10	72.577
C2	C6	C3	35.617	C2	C6	H4	49.685
C2	C6	H5	33.089	C3	C2	C6	119.565
C3	C6	H4	51.864	C3	C6	H5	66.152
C3	C10	H7	9.399	C3	C10	H8	65.144
C3	C10	H9	74.635	H4	C6	H5	74.520
C6	C3	C10	86.486	H7	C10	H8	58.748
H7	C10	H9	77.912	H8	C10	H9	60.258

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)