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	hartrees
Energy at 0K	-156.654771
Energy at 298.15K	-156.663443
HF Energy	-156.095304
Nuclear repulsion energy	124.178930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3085	24.54
2	A'	3209	3012	14.28
3	A'	3201	3005	15.37
4	A'	3166	2972	18.74
5	A'	3092	2902	26.40
6	A'	1582	1485	1.05
7	A'	1562	1466	7.42
8	A'	1490	1398	3.51
9	A'	1450	1361	1.78
10	A'	1280	1201	0.13
11	A'	1254	1177	0.06
12	A'	1117	1049	7.08
13	A'	1039	976	9.48
14	A'	974	914	3.21
15	A'	827	777	4.80
16	A'	801	752	2.42
17	A'	375	352	0.20
18	A"	3275	3073	0.26
19	A"	3195	2999	18.76
20	A"	3170	2975	27.54
21	A"	1553	1458	1.85
22	A"	1527	1433	2.11
23	A"	1241	1165	0.50
24	A"	1198	1124	0.23
25	A"	1150	1080	4.41
26	A"	1117	1048	1.53
27	A"	916	860	7.40
28	A"	855	803	4.97
29	A"	350	329	0.67
30	A"	227	213	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.347	0.403	0.000
C2	-0.883	1.282	0.000
H3	1.291	0.945	0.000
C4	0.347	-0.899	0.754
C5	0.347	-0.899	-0.754
H6	1.253	-1.203	1.269
H7	1.253	-1.203	-1.269
H8	-0.569	-1.188	1.261
H9	-0.569	-1.188	-1.261
H10	-1.791	0.669	0.000
H11	-0.911	1.924	0.887
H12	-0.911	1.924	-0.887

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5116	1.0881	1.5053	1.5053	2.2389	2.2389	2.2277	2.2277	2.1545	2.1637	2.1637
C2	1.5116		2.1994	2.6154	2.6154	3.5142	3.5142	2.7911	2.7911	1.0956	1.0953	1.0953
H3	1.0881	2.1994		2.2048	2.2048	2.4955	2.4955	3.0984	3.0984	3.0939	2.5674	2.5674
C4	1.5053	2.6154	2.2048		1.5089	1.0854	2.2381	1.0864	2.2332	2.7570	3.0935	3.4996
C5	1.5053	2.6154	2.2048	1.5089		2.2381	1.0854	2.2332	1.0864	2.7570	3.4996	3.0935
H6	2.2389	3.5142	2.4955	1.0854	2.2381		2.5390	1.8224	3.1188	3.7925	3.8218	4.3716
H7	2.2389	3.5142	2.4955	2.2381	1.0854	2.5390		3.1188	1.8224	3.7925	4.3716	3.8218
H8	2.2277	2.7911	3.0984	1.0864	2.2332	1.8224	3.1188		2.5229	2.5559	3.1527	3.7968
H9	2.2277	2.7911	3.0984	2.2332	1.0864	3.1188	1.8224	2.5229		2.5559	3.7968	3.1527
H10	2.1545	1.0956	3.0939	2.7570	2.7570	3.7925	3.7925	2.5559	2.5559		1.7707	1.7707
H11	2.1637	1.0953	2.5674	3.0935	3.4996	3.8218	4.3716	3.1527	3.7968	1.7707		1.7744
H12	2.1637	1.0953	2.5674	3.4996	3.0935	4.3716	3.8218	3.7968	3.1527	1.7707	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.440	C1	C2	H11	111.193
C1	C2	H12	111.193	C1	C4	H5	59.919
C1	C4	H6	118.688	C1	C4	H8	117.629
C1	H5	C4	59.919	C1	H5	H7	118.688
C1	H5	H9	117.629	C2	C1	C3	114.583
C2	C1	C4	120.208	C2	C1	H5	120.208
C3	C1	C4	115.523	C3	C1	H5	115.523
C4	C1	H5	60.161	C4	H5	H7	118.326
C4	H5	H9	117.819	H5	C4	H6	118.326
H5	C4	H8	117.819	H6	C4	H8	114.096
H7	H5	H9	114.096	H10	C2	H11	107.843
H10	C2	H12	107.843	H11	C2	H12	108.194

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)