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	hartrees
Energy at 0K	-156.689564
Energy at 298.15K	-156.698242
HF Energy	-156.111047
Nuclear repulsion energy	124.466020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3323	3126	19.59
2	A'	3235	3043	16.66
3	A'	3222	3031	11.55
4	A'	3196	3006	17.85
5	A'	3104	2920	34.55
6	A'	1565	1472	0.92
7	A'	1547	1455	8.77
8	A'	1468	1381	3.95
9	A'	1431	1346	2.55
10	A'	1269	1194	0.06
11	A'	1244	1170	0.17
12	A'	1097	1032	11.67
13	A'	1034	972	11.17
14	A'	968	911	1.96
15	A'	822	773	4.73
16	A'	796	748	4.20
17	A'	371	349	0.22
18	A"	3311	3114	0.16
19	A"	3216	3025	19.20
20	A"	3197	3007	27.04
21	A"	1535	1444	2.10
22	A"	1514	1424	1.81
23	A"	1231	1158	0.86
24	A"	1181	1111	0.06
25	A"	1141	1073	3.51
26	A"	1102	1036	1.73
27	A"	903	849	10.84
28	A"	851	801	5.18
29	A"	351	330	0.66
30	A"	232	218	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.406	0.000
C2	-0.885	1.274	0.000
H3	1.289	0.945	0.000
C4	0.348	-0.895	0.755
C5	0.348	-0.895	-0.755
H6	1.253	-1.200	1.263
H7	1.253	-1.200	-1.263
H8	-0.568	-1.179	1.256
H9	-0.568	-1.179	-1.256
H10	-1.782	0.653	0.000
H11	-0.919	1.912	0.885
H12	-0.919	1.912	-0.885

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5079	1.0841	1.5046	1.5046	2.2342	2.2342	2.2204	2.2204	2.1447	2.1577	2.1577
C2	1.5079		2.1986	2.6071	2.6071	3.5048	3.5048	2.7744	2.7744	1.0914	1.0912	1.0912
H3	1.0841	2.1986		2.2003	2.2003	2.4890	2.4890	3.0883	3.0883	3.0850	2.5675	2.5675
C4	1.5046	2.6071	2.2003		1.5097	1.0811	2.2320	1.0822	2.2280	2.7398	3.0830	3.4894
C5	1.5046	2.6071	2.2003	1.5097		2.2320	1.0811	2.2280	1.0822	2.7398	3.4894	3.0830
H6	2.2342	3.5048	2.4890	1.0811	2.2320		2.5258	1.8207	3.1081	3.7733	3.8134	4.3601
H7	2.2342	3.5048	2.4890	2.2320	1.0811	2.5258		3.1081	1.8207	3.7733	4.3601	3.8134
H8	2.2204	2.7744	3.0883	1.0822	2.2280	1.8207	3.1081		2.5122	2.5317	3.1335	3.7766
H9	2.2204	2.7744	3.0883	2.2280	1.0822	3.1081	1.8207	2.5122		2.5317	3.7766	3.1335
H10	2.1447	1.0914	3.0850	2.7398	2.7398	3.7733	3.7733	2.5317	2.5317		1.7646	1.7646
H11	2.1577	1.0912	2.5675	3.0830	3.4894	3.8134	4.3601	3.1335	3.7766	1.7646		1.7690
H12	2.1577	1.0912	2.5675	3.4894	3.0830	4.3601	3.8134	3.7766	3.1335	1.7646	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.166	C1	C2	H11	111.223
C1	C2	H12	111.223	C1	C4	H5	59.887
C1	C4	H6	118.634	C1	C4	H8	117.337
C1	H5	C4	59.887	C1	H5	H7	118.634
C1	H5	H9	117.337	C2	C1	C3	115.059
C2	C1	C4	119.866	C2	C1	H5	119.866
C3	C1	C4	115.458	C3	C1	H5	115.458
C4	C1	H5	60.225	C4	H5	H7	118.030
C4	H5	H9	117.592	H5	C4	H6	118.030
H5	C4	H8	117.592	H6	C4	H8	114.633
H7	H5	H9	114.633	H10	C2	H11	107.898
H10	C2	H12	107.898	H11	C2	H12	108.305

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)