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	hartrees
Energy at 0K	-156.673754
Energy at 298.15K	-156.682433
HF Energy	-156.095373
Nuclear repulsion energy	124.289578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3085	24.25
2	A'	3210	3012	14.01
3	A'	3202	3004	15.39
4	A'	3167	2972	18.60
5	A'	3093	2902	26.31
6	A'	1584	1486	1.08
7	A'	1562	1466	7.55
8	A'	1491	1399	3.55
9	A'	1452	1362	1.69
10	A'	1281	1202	0.13
11	A'	1255	1178	0.06
12	A'	1118	1049	7.12
13	A'	1041	976	9.60
14	A'	975	915	3.25
15	A'	829	777	4.90
16	A'	803	753	2.37
17	A'	376	353	0.20
18	A"	3276	3073	0.26
19	A"	3196	2999	18.60
20	A"	3171	2975	27.37
21	A"	1554	1458	1.86
22	A"	1528	1433	2.23
23	A"	1242	1165	0.50
24	A"	1199	1125	0.25
25	A"	1151	1080	4.47
26	A"	1119	1050	1.52
27	A"	918	861	7.35
28	A"	856	803	5.03
29	A"	351	330	0.68
30	A"	227	213	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.347	0.403	0.000
C2	-0.882	1.280	0.000
H3	1.290	0.945	0.000
C4	0.347	-0.898	0.754
C5	0.347	-0.898	-0.754
H6	1.253	-1.202	1.268
H7	1.253	-1.202	-1.268
H8	-0.569	-1.186	1.261
H9	-0.569	-1.186	-1.261
H10	-1.790	0.667	0.000
H11	-0.911	1.921	0.887
H12	-0.911	1.921	-0.887

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5100	1.0878	1.5035	1.5035	2.2372	2.2372	2.2259	2.2259	2.1532	2.1623	2.1623
C2	1.5100		2.1980	2.6119	2.6119	3.5109	3.5109	2.7874	2.7874	1.0953	1.0950	1.0950
H3	1.0878	2.1980		2.2034	2.2034	2.4942	2.4942	3.0967	3.0967	3.0925	2.5662	2.5662
C4	1.5035	2.6119	2.2034		1.5073	1.0851	2.2364	1.0861	2.2316	2.7537	3.0904	3.4963
C5	1.5035	2.6119	2.2034	1.5073		2.2364	1.0851	2.2316	1.0861	2.7537	3.4963	3.0904
H6	2.2372	3.5109	2.4942	1.0851	2.2364		2.5369	1.8218	3.1169	3.7892	3.8189	4.3685
H7	2.2372	3.5109	2.4942	2.2364	1.0851	2.5369		3.1169	1.8218	3.7892	4.3685	3.8189
H8	2.2259	2.7874	3.0967	1.0861	2.2316	1.8218	3.1169		2.5213	2.5522	3.1489	3.7931
H9	2.2259	2.7874	3.0967	2.2316	1.0861	3.1169	1.8218	2.5213		2.5522	3.7931	3.1489
H10	2.1532	1.0953	3.0925	2.7537	2.7537	3.7892	3.7892	2.5522	2.5522		1.7699	1.7699
H11	2.1623	1.0950	2.5662	3.0904	3.4963	3.8189	4.3685	3.1489	3.7931	1.7699		1.7737
H12	2.1623	1.0950	2.5662	3.4963	3.0904	4.3685	3.8189	3.7931	3.1489	1.7699	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.463	C1	C2	H11	111.214
C1	C2	H12	111.214	C1	C4	H5	59.917
C1	C4	H6	118.700	C1	C4	H8	117.632
C1	H5	C4	59.917	C1	H5	H7	118.700
C1	H5	H9	117.632	C2	C1	C3	114.602
C2	C1	C4	120.162	C2	C1	H5	120.162
C3	C1	C4	115.553	C3	C1	H5	115.553
C4	C1	H5	60.166	C4	H5	H7	118.322
C4	H5	H9	117.829	H5	C4	H6	118.322
H5	C4	H8	117.829	H6	C4	H8	114.084
H7	H5	H9	114.084	H10	C2	H11	107.818
H10	C2	H12	107.818	H11	C2	H12	108.175

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP3=FULL/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=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)