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	hartrees
Energy at 0K	-156.710467
Energy at 298.15K	-156.719151
HF Energy	-156.111120
Nuclear repulsion energy	124.612402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3327	3125	19.18
2	A'	3238	3041	16.52
3	A'	3225	3029	11.55
4	A'	3200	3006	17.36
5	A'	3107	2918	34.36
6	A'	1568	1473	0.97
7	A'	1549	1455	8.95
8	A'	1470	1381	4.02
9	A'	1433	1346	2.42
10	A'	1271	1193	0.05
11	A'	1246	1170	0.16
12	A'	1098	1031	11.76
13	A'	1035	972	11.34
14	A'	970	911	1.99
15	A'	824	774	4.81
16	A'	797	749	4.18
17	A'	372	349	0.22
18	A"	3314	3113	0.16
19	A"	3220	3024	18.92
20	A"	3201	3006	26.71
21	A"	1537	1444	2.11
22	A"	1517	1424	1.97
23	A"	1232	1157	0.87
24	A"	1182	1111	0.05
25	A"	1142	1073	3.63
26	A"	1104	1037	1.72
27	A"	905	850	10.79
28	A"	852	801	5.26
29	A"	352	331	0.67
30	A"	233	219	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.406	0.000
C2	-0.884	1.272	0.000
H3	1.288	0.944	0.000
C4	0.348	-0.894	0.754
C5	0.348	-0.894	-0.754
H6	1.252	-1.198	1.262
H7	1.252	-1.198	-1.262
H8	-0.567	-1.178	1.255
H9	-0.567	-1.178	-1.255
H10	-1.780	0.651	0.000
H11	-0.919	1.909	0.884
H12	-0.919	1.909	-0.884

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5062	1.0831	1.5027	1.5027	2.2317	2.2317	2.2179	2.2179	2.1424	2.1555	2.1555
C2	1.5062		2.1964	2.6035	2.6035	3.5006	3.5006	2.7703	2.7703	1.0902	1.0901	1.0901
H3	1.0831	2.1964		2.1981	2.1981	2.4867	2.4867	3.0851	3.0851	3.0820	2.5652	2.5652
C4	1.5027	2.6035	2.1981		1.5079	1.0800	2.2296	1.0811	2.2256	2.7360	3.0791	3.4851
C5	1.5027	2.6035	2.1981	1.5079		2.2296	1.0800	2.2256	1.0811	2.7360	3.4851	3.0791
H6	2.2317	3.5006	2.4867	1.0800	2.2296		2.5230	1.8188	3.1049	3.7687	3.8092	4.3553
H7	2.2317	3.5006	2.4867	2.2296	1.0800	2.5230		3.1049	1.8188	3.7687	4.3553	3.8092
H8	2.2179	2.7703	3.0851	1.0811	2.2256	1.8188	3.1049		2.5098	2.5278	3.1290	3.7717
H9	2.2179	2.7703	3.0851	2.2256	1.0811	3.1049	1.8188	2.5098		2.5278	3.7717	3.1290
H10	2.1424	1.0902	3.0820	2.7360	2.7360	3.7687	3.7687	2.5278	2.5278		1.7626	1.7626
H11	2.1555	1.0901	2.5652	3.0791	3.4851	3.8092	4.3553	3.1290	3.7717	1.7626		1.7671
H12	2.1555	1.0901	2.5652	3.4851	3.0791	4.3553	3.8092	3.7717	3.1290	1.7626	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.180	C1	C2	H11	111.237
C1	C2	H12	111.237	C1	C4	H5	59.885
C1	C4	H6	118.644	C1	C4	H8	117.339
C1	H5	C4	59.885	C1	H5	H7	118.644
C1	H5	H9	117.339	C2	C1	C3	115.075
C2	C1	C4	119.828	C2	C1	H5	119.828
C3	C1	C4	115.481	C3	C1	H5	115.481
C4	C1	H5	60.230	C4	H5	H7	118.030
C4	H5	H9	117.603	H5	C4	H6	118.030
H5	C4	H8	117.603	H6	C4	H8	114.620
H7	H5	H9	114.620	H10	C2	H11	107.880
H10	C2	H12	107.880	H11	C2	H12	108.298

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)