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	hartrees
Energy at 0K	-156.713424
Energy at 298.15K	-156.722007
HF Energy	-156.111273
Nuclear repulsion energy	123.695406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3181	18.20
2	A'	3196	3098	14.21
3	A'	3177	3079	8.89
4	A'	3144	3047	20.34
5	A'	3054	2960	31.71
6	A'	1511	1464	1.14
7	A'	1494	1448	8.19
8	A'	1420	1376	3.21
9	A'	1380	1338	2.31
10	A'	1235	1197	0.06
11	A'	1211	1174	0.18
12	A'	1028	996	3.87
13	A'	1007	976	14.17
14	A'	936	907	1.49
15	A'	797	773	6.54
16	A'	768	744	1.04
17	A'	361	350	0.22
18	A"	3269	3168	0.18
19	A"	3170	3072	17.30
20	A"	3146	3049	25.18
21	A"	1481	1436	1.96
22	A"	1457	1413	2.15
23	A"	1184	1148	0.76
24	A"	1126	1091	0.01
25	A"	1103	1069	3.22
26	A"	1042	1010	1.18
27	A"	880	853	10.04
28	A"	808	783	3.81
29	A"	342	332	0.52
30	A"	231	224	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.353	0.414	0.000
C2	-0.895	1.269	0.000
H3	1.300	0.959	0.000
C4	0.353	-0.896	0.761
C5	0.353	-0.896	-0.761
H6	1.268	-1.203	1.269
H7	1.268	-1.203	-1.269
H8	-0.573	-1.179	1.265
H9	-0.573	-1.179	-1.265
H10	-1.793	0.631	0.000
H11	-0.939	1.914	0.892
H12	-0.939	1.914	-0.892

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5130	1.0933	1.5152	1.5152	2.2500	2.2500	2.2352	2.2352	2.1569	2.1712	2.1712
C2	1.5130		2.2173	2.6127	2.6127	3.5216	3.5216	2.7748	2.7748	1.1017	1.1014	1.1014
H3	1.0933	2.2173		2.2181	2.2181	2.5075	2.5075	3.1120	3.1120	3.1109	2.5926	2.5926
C4	1.5152	2.6127	2.2181		1.5227	1.0904	2.2481	1.0916	2.2457	2.7417	3.0953	3.5068
C5	1.5152	2.6127	2.2181	1.5227		2.2481	1.0904	2.2457	1.0916	2.7417	3.5068	3.0953
H6	2.2500	3.5216	2.5075	1.0904	2.2481		2.5381	1.8414	3.1321	3.7873	3.8375	4.3881
H7	2.2500	3.5216	2.5075	2.2481	1.0904	2.5381		3.1321	1.8414	3.7873	4.3881	3.8375
H8	2.2352	2.7748	3.1120	1.0916	2.2457	1.8414	3.1321		2.5293	2.5228	3.1369	3.7885
H9	2.2352	2.7748	3.1120	2.2457	1.0916	3.1321	1.8414	2.5293		2.5228	3.7885	3.1369
H10	2.1569	1.1017	3.1109	2.7417	2.7417	3.7873	3.7873	2.5228	2.5228		1.7807	1.7807
H11	2.1712	1.1014	2.5926	3.0953	3.5068	3.8375	4.3881	3.1369	3.7885	1.7807		1.7844
H12	2.1712	1.1014	2.5926	3.5068	3.0953	4.3881	3.8375	3.7885	3.1369	1.7807	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.162	C1	C2	H11	111.318
C1	C2	H12	111.318	C1	C4	H5	59.836
C1	C4	H6	118.521	C1	C4	H8	117.131
C1	H5	C4	59.836	C1	H5	H7	118.521
C1	H5	H9	117.131	C2	C1	C3	115.647
C2	C1	C4	119.268	C2	C1	H5	119.268
C3	C1	C4	115.546	C3	C1	H5	115.546
C4	C1	H5	60.329	C4	H5	H7	117.749
C4	H5	H9	117.455	H5	C4	H6	117.749
H5	C4	H8	117.455	H6	C4	H8	115.098
H7	H5	H9	115.098	H10	C2	H11	107.853
H10	C2	H12	107.853	H11	C2	H12	108.199

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)