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	hartrees
Energy at 0K	-156.786279
Energy at 298.15K	-156.794964
HF Energy	-156.145732
Nuclear repulsion energy	124.432358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3100	27.08
2	A'	3193	3027	16.89
3	A'	3178	3012	11.39
4	A'	3134	2971	23.86
5	A'	3060	2901	32.06
6	A'	1556	1475	1.12
7	A'	1534	1454	7.08
8	A'	1463	1387	2.84
9	A'	1426	1352	2.08
10	A'	1262	1197	0.07
11	A'	1239	1175	0.11
12	A'	1111	1053	7.90
13	A'	1023	970	7.79
14	A'	968	918	2.38
15	A'	820	777	2.49
16	A'	792	751	5.68
17	A'	375	355	0.25
18	A"	3256	3087	0.25
19	A"	3171	3006	21.48
20	A"	3133	2970	31.69
21	A"	1523	1444	1.46
22	A"	1505	1427	1.86
23	A"	1234	1170	0.64
24	A"	1190	1128	0.00
25	A"	1142	1083	3.53
26	A"	1122	1064	0.70
27	A"	896	849	9.89
28	A"	857	812	5.11
29	A"	355	336	0.51
30	A"	221	210	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.349	0.405	0.000
C2	-0.886	1.275	0.000
H3	1.288	0.946	0.000
C4	0.349	-0.895	0.755
C5	0.349	-0.895	-0.755
H6	1.255	-1.200	1.261
H7	1.255	-1.200	-1.261
H8	-0.568	-1.182	1.255
H9	-0.568	-1.182	-1.255
H10	-1.787	0.656	0.000
H11	-0.917	1.915	0.885
H12	-0.917	1.915	-0.885

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5100	1.0839	1.5035	1.5035	2.2327	2.2327	2.2211	2.2211	2.1502	2.1599	2.1599
C2	1.5100		2.1984	2.6082	2.6082	3.5061	3.5061	2.7772	2.7772	1.0929	1.0928	1.0928
H3	1.0839	2.1984		2.2004	2.2004	2.4885	2.4885	3.0897	3.0897	3.0884	2.5661	2.5661
C4	1.5035	2.6082	2.2004		1.5093	1.0815	2.2306	1.0826	2.2269	2.7455	3.0848	3.4912
C5	1.5035	2.6082	2.2004	1.5093		2.2306	1.0815	2.2269	1.0826	2.7455	3.4912	3.0848
H6	2.2327	3.5061	2.4885	1.0815	2.2306		2.5218	1.8224	3.1063	3.7795	3.8152	4.3612
H7	2.2327	3.5061	2.4885	2.2306	1.0815	2.5218		3.1063	1.8224	3.7795	4.3612	3.8152
H8	2.2211	2.7772	3.0897	1.0826	2.2269	1.8224	3.1063		2.5092	2.5380	3.1386	3.7807
H9	2.2211	2.7772	3.0897	2.2269	1.0826	3.1063	1.8224	2.5092		2.5380	3.7807	3.1386
H10	2.1502	1.0929	3.0884	2.7455	2.7455	3.7795	3.7795	2.5380	2.5380		1.7674	1.7674
H11	2.1599	1.0928	2.5661	3.0848	3.4912	3.8152	4.3612	3.1386	3.7807	1.7674		1.7705
H12	2.1599	1.0928	2.5661	3.4912	3.0848	4.3612	3.8152	3.7807	3.1386	1.7674	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.365	C1	C2	H11	111.150
C1	C2	H12	111.150	C1	C4	H5	59.871
C1	C4	H6	118.563	C1	C4	H8	117.455
C1	H5	C4	59.871	C1	H5	H7	118.563
C1	H5	H9	117.455	C2	C1	C3	114.894
C2	C1	C4	119.886	C2	C1	H5	119.886
C3	C1	C4	115.564	C3	C1	H5	115.564
C4	C1	H5	60.258	C4	H5	H7	117.911
C4	H5	H9	117.503	H5	C4	H6	117.911
H5	C4	H8	117.503	H6	C4	H8	114.736
H7	H5	H9	114.736	H10	C2	H11	107.920
H10	C2	H12	107.920	H11	C2	H12	108.210

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)