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	hartrees
Energy at 0K	-156.438003
Energy at 298.15K	-156.446671
HF Energy	-156.026124
Nuclear repulsion energy	122.678558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3092	35.14
2	A'	3143	3016	9.39
3	A'	3135	3008	20.56
4	A'	3075	2951	27.12
5	A'	3006	2884	30.95
6	A'	1559	1496	1.80
7	A'	1556	1493	5.84
8	A'	1476	1416	3.88
9	A'	1448	1389	0.94
10	A'	1258	1207	0.05
11	A'	1245	1194	0.03
12	A'	1148	1101	13.33
13	A'	1018	977	3.88
14	A'	970	931	5.89
15	A'	826	793	1.37
16	A'	779	748	6.92
17	A'	378	362	0.15
18	A"	3207	3077	0.26
19	A"	3129	3002	20.56
20	A"	3081	2956	35.23
21	A"	1549	1486	1.52
22	A"	1531	1469	2.92
23	A"	1244	1194	0.32
24	A"	1214	1164	0.53
25	A"	1158	1111	5.14
26	A"	1148	1102	1.54
27	A"	883	847	0.44
28	A"	863	828	13.69
29	A"	352	338	0.78
30	A"	216	207	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.349	0.408	0.000
C2	-0.887	1.306	0.000
H3	1.296	0.956	0.000
C4	0.349	-0.915	0.766
C5	0.349	-0.915	-0.766
H6	1.257	-1.222	1.288
H7	1.257	-1.222	-1.288
H8	-0.570	-1.206	1.280
H9	-0.570	-1.206	-1.280
H10	-1.807	0.695	0.000
H11	-0.909	1.952	0.894
H12	-0.909	1.952	-0.894

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5276	1.0940	1.5293	1.5293	2.2672	2.2672	2.2556	2.2556	2.1750	2.1825	2.1825
C2	1.5276		2.2112	2.6548	2.6548	3.5560	3.5560	2.8366	2.8366	1.1045	1.1034	1.1034
H3	1.0940	2.2112		2.2325	2.2325	2.5300	2.5300	3.1293	3.1293	3.1143	2.5793	2.5793
C4	1.5293	2.6548	2.2325		1.5321	1.0912	2.2664	1.0923	2.2615	2.7978	3.1333	3.5438
C5	1.5293	2.6548	2.2325	1.5321		2.2664	1.0912	2.2615	1.0923	2.7978	3.5438	3.1333
H6	2.2672	3.5560	2.5300	1.0912	2.2664		2.5754	1.8274	3.1513	3.8368	3.8621	4.4185
H7	2.2672	3.5560	2.5300	2.2664	1.0912	2.5754		3.1513	1.8274	3.8368	4.4185	3.8621
H8	2.2556	2.8366	3.1293	1.0923	2.2615	1.8274	3.1513		2.5594	2.6038	3.1989	3.8485
H9	2.2556	2.8366	3.1293	2.2615	1.0923	3.1513	1.8274	2.5594		2.6038	3.8485	3.1989
H10	2.1750	1.1045	3.1143	2.7978	2.7978	3.8368	3.8368	2.6038	2.6038		1.7854	1.7854
H11	2.1825	1.1034	2.5793	3.1333	3.5438	3.8621	4.4185	3.1989	3.8485	1.7854		1.7887
H12	2.1825	1.1034	2.5793	3.5438	3.1333	4.4185	3.8621	3.8485	3.1989	1.7854	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.423	C1	C2	H11	111.075
C1	C2	H12	111.075	C1	C4	H5	59.940
C1	C4	H6	118.855	C1	C4	H8	117.756
C1	H5	C4	59.940	C1	H5	H7	118.855
C1	H5	H9	117.756	C2	C1	C3	113.997
C2	C1	C4	120.567	C2	C1	H5	120.567
C3	C1	C4	115.657	C3	C1	H5	115.657
C4	C1	H5	60.120	C4	H5	H7	118.559
C4	H5	H9	118.054	H5	C4	H6	118.559
H5	C4	H8	118.054	H6	C4	H8	113.626
H7	H5	H9	113.626	H10	C2	H11	107.926
H10	C2	H12	107.926	H11	C2	H12	108.294

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CCD/6-31G

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/6-31G

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)