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	hartrees
Energy at 0K	-156.907137
Energy at 298.15K	-156.915807
HF Energy	-156.151259
Nuclear repulsion energy	125.255921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3120	13.65
2	A'	3215	3052	11.10
3	A'	3201	3039	7.14
4	A'	3150	2990	19.02
5	A'	3080	2924	26.60
6	A'	1538	1460	0.89
7	A'	1526	1449	9.15
8	A'	1445	1372	3.89
9	A'	1408	1337	2.04
10	A'	1257	1194	0.03
11	A'	1231	1169	0.09
12	A'	1055	1001	6.75
13	A'	1026	974	13.17
14	A'	958	910	1.91
15	A'	816	774	6.13
16	A'	788	748	1.27
17	A'	366	347	0.20
18	A"	3273	3107	0.23
19	A"	3195	3033	14.80
20	A"	3154	2994	20.80
21	A"	1516	1439	2.14
22	A"	1488	1413	2.83
23	A"	1209	1148	0.77
24	A"	1159	1101	0.00
25	A"	1125	1068	4.07
26	A"	1072	1018	1.52
27	A"	901	856	9.00
28	A"	834	792	4.63
29	A"	347	329	0.60
30	A"	244	231	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.350	0.409	0.000
C2	-0.887	1.253	0.000
H3	1.282	0.949	0.000
C4	0.350	-0.885	0.752
C5	0.350	-0.885	-0.752
H6	1.252	-1.189	1.252
H7	1.252	-1.189	-1.252
H8	-0.563	-1.162	1.248
H9	-0.563	-1.162	-1.248
H10	-1.770	0.619	0.000
H11	-0.934	1.888	0.881
H12	-0.934	1.888	-0.881

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.4978	1.0768	1.4964	1.4964	2.2212	2.2212	2.2050	2.2050	2.1304	2.1479	2.1479
C2	1.4978		2.1896	2.5822	2.5822	3.4793	3.4793	2.7384	2.7384	1.0872	1.0865	1.0865
H3	1.0768	2.1896		2.1903	2.1903	2.4781	2.4781	3.0695	3.0695	3.0692	2.5626	2.5626
C4	1.4964	2.5822	2.1903		1.5036	1.0748	2.2181	1.0762	2.2164	2.7059	3.0588	3.4647
C5	1.4964	2.5822	2.1903	1.5036		2.2181	1.0748	2.2164	1.0762	2.7059	3.4647	3.0588
H6	2.2212	3.4793	2.4781	1.0748	2.2181		2.5040	1.8151	3.0898	3.7371	3.7927	4.3353
H7	2.2212	3.4793	2.4781	2.2181	1.0748	2.5040		3.0898	1.8151	3.7371	4.3353	3.7927
H8	2.2050	2.7384	3.0695	1.0762	2.2164	1.8151	3.0898		2.4968	2.4875	3.0949	3.7384
H9	2.2050	2.7384	3.0695	2.2164	1.0762	3.0898	1.8151	2.4968		2.4875	3.7384	3.0949
H10	2.1304	1.0872	3.0692	2.7059	2.7059	3.7371	3.7371	2.4875	2.4875		1.7560	1.7560
H11	2.1479	1.0865	2.5626	3.0588	3.4647	3.7927	4.3353	3.0949	3.7384	1.7560		1.7611
H12	2.1479	1.0865	2.5626	3.4647	3.0588	4.3353	3.7927	3.7384	3.0949	1.7560	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	109.994	C1	C2	H11	111.435
C1	C2	H12	111.435	C1	C4	H5	59.842
C1	C4	H6	118.584	C1	C4	H8	117.047
C1	H5	C4	59.842	C1	H5	H7	118.584
C1	H5	H9	117.047	C2	C1	C3	115.559
C2	C1	C4	119.174	C2	C1	H5	119.174
C3	C1	C4	115.718	C3	C1	H5	115.718
C4	C1	H5	60.316	C4	H5	H7	117.735
C4	H5	H9	117.482	H5	C4	H6	117.735
H5	C4	H8	117.482	H6	C4	H8	115.102
H7	H5	H9	115.102	H10	C2	H11	107.776
H10	C2	H12	107.776	H11	C2	H12	108.279

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2=FULL/cc-pVTZ

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 C4H8 (methylcyclopropane)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)