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	hartrees
Energy at 0K	-156.749352
Energy at 298.15K	-156.757999
HF Energy	-156.121487
Nuclear repulsion energy	124.315439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3106	21.91
2	A'	3195	3026	17.86
3	A'	3179	3011	10.72
4	A'	3156	2989	17.10
5	A'	3069	2907	29.90
6	A'	1552	1469	0.99
7	A'	1540	1459	12.52
8	A'	1462	1384	5.71
9	A'	1426	1350	1.16
10	A'	1262	1195	0.06
11	A'	1238	1173	0.06
12	A'	1075	1018	11.72
13	A'	1028	973	12.23
14	A'	963	912	2.98
15	A'	818	774	5.33
16	A'	791	749	2.77
17	A'	370	351	0.20
18	A"	3266	3093	0.20
19	A"	3174	3006	18.08
20	A"	3156	2989	26.41
21	A"	1531	1450	3.07
22	A"	1501	1421	5.19
23	A"	1220	1156	0.95
24	A"	1167	1105	0.01
25	A"	1136	1076	4.98
26	A"	1079	1022	2.40
27	A"	900	853	8.48
28	A"	844	799	5.63
29	A"	348	330	0.84
30	A"	226	214	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.406	0.000
C2	-0.883	1.276	0.000
H3	1.293	0.943	0.000
C4	0.348	-0.897	0.755
C5	0.348	-0.897	-0.755
H6	1.255	-1.200	1.265
H7	1.255	-1.200	-1.265
H8	-0.571	-1.183	1.257
H9	-0.571	-1.183	-1.257
H10	-1.787	0.661	0.000
H11	-0.916	1.917	0.886
H12	-0.916	1.917	-0.886

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5074	1.0870	1.5060	1.5060	2.2364	2.2364	2.2243	2.2243	2.1499	2.1597	2.1597
C2	1.5074		2.2013	2.6093	2.6093	3.5076	3.5076	2.7794	2.7794	1.0937	1.0937	1.0937
H3	1.0870	2.2013		2.2019	2.2019	2.4883	2.4883	3.0936	3.0936	3.0928	2.5712	2.5712
C4	1.5060	2.6093	2.2019		1.5109	1.0837	2.2351	1.0847	2.2307	2.7484	3.0876	3.4941
C5	1.5060	2.6093	2.2019	1.5109		2.2351	1.0837	2.2307	1.0847	2.7484	3.4941	3.0876
H6	2.2364	3.5076	2.4883	1.0837	2.2351		2.5290	1.8258	3.1134	3.7836	3.8175	4.3649
H7	2.2364	3.5076	2.4883	2.2351	1.0837	2.5290		3.1134	1.8258	3.7836	4.3649	3.8175
H8	2.2243	2.7794	3.0936	1.0847	2.2307	1.8258	3.1134		2.5148	2.5413	3.1412	3.7843
H9	2.2243	2.7794	3.0936	2.2307	1.0847	3.1134	1.8258	2.5148		2.5413	3.7843	3.1412
H10	2.1499	1.0937	3.0928	2.7484	2.7484	3.7836	3.7836	2.5413	2.5413		1.7673	1.7673
H11	2.1597	1.0937	2.5712	3.0876	3.4941	3.8175	4.3649	3.1412	3.7843	1.7673		1.7712
H12	2.1597	1.0937	2.5712	3.4941	3.0876	4.3649	3.8175	3.7843	3.1412	1.7673	1.7712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.472	C1	C2	H11	111.263
C1	C2	H12	111.263	C1	C4	H5	59.893
C1	C4	H6	118.523	C1	C4	H8	117.382
C1	H5	C4	59.893	C1	H5	H7	118.523
C1	H5	H9	117.382	C2	C1	C3	115.134
C2	C1	C4	119.968	C2	C1	H5	119.968
C3	C1	C4	115.294	C3	C1	H5	115.294
C4	C1	H5	60.214	C4	H5	H7	118.017
C4	H5	H9	117.565	H5	C4	H6	118.017
H5	C4	H8	117.565	H6	C4	H8	114.697
H7	H5	H9	114.697	H10	C2	H11	107.784
H10	C2	H12	107.784	H11	C2	H12	108.130

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2=FULL/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 C4H8 (methylcyclopropane)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)