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	hartrees
Energy at 0K	-156.617555
Energy at 298.15K	-156.626229
HF Energy	-156.095367
Nuclear repulsion energy	124.352321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3111	18.95
2	A'	3214	3031	16.19
3	A'	3205	3022	11.10
4	A'	3180	2999	15.23
5	A'	3095	2918	25.76
6	A'	1576	1487	0.62
7	A'	1565	1476	7.73
8	A'	1483	1398	3.47
9	A'	1447	1364	1.85
10	A'	1280	1207	0.14
11	A'	1253	1181	0.08
12	A'	1106	1043	9.04
13	A'	1042	982	9.51
14	A'	974	918	3.27
15	A'	828	780	4.87
16	A'	800	755	1.99
17	A'	373	352	0.20
18	A"	3287	3100	0.21
19	A"	3200	3018	15.99
20	A"	3183	3001	24.16
21	A"	1556	1468	1.88
22	A"	1526	1439	1.97
23	A"	1237	1167	0.59
24	A"	1192	1124	0.07
25	A"	1151	1085	4.59
26	A"	1106	1043	1.88
27	A"	914	862	6.95
28	A"	853	804	5.03
29	A"	350	330	0.76
30	A"	233	219	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.347	0.404	0.000
C2	-0.882	1.278	0.000
H3	1.291	0.945	0.000
C4	0.347	-0.897	0.753
C5	0.347	-0.897	-0.753
H6	1.253	-1.201	1.268
H7	1.253	-1.201	-1.268
H8	-0.570	-1.184	1.259
H9	-0.570	-1.184	-1.259
H10	-1.787	0.661	0.000
H11	-0.913	1.919	0.887
H12	-0.913	1.919	-0.887

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5082	1.0880	1.5035	1.5035	2.2369	2.2369	2.2244	2.2244	2.1497	2.1611	2.1611
C2	1.5082		2.1985	2.6093	2.6093	3.5085	3.5085	2.7824	2.7824	1.0949	1.0948	1.0948
H3	1.0880	2.1985		2.2028	2.2028	2.4929	2.4929	3.0954	3.0954	3.0911	2.5679	2.5679
C4	1.5035	2.6093	2.2028		1.5069	1.0851	2.2356	1.0860	2.2304	2.7479	3.0882	3.4942
C5	1.5035	2.6093	2.2028	1.5069		2.2356	1.0851	2.2304	1.0860	2.7479	3.4942	3.0882
H6	2.2369	3.5085	2.4929	1.0851	2.2356		2.5354	1.8231	3.1160	3.7838	3.8175	4.3668
H7	2.2369	3.5085	2.4929	2.2356	1.0851	2.5354		3.1160	1.8231	3.7838	4.3668	3.8175
H8	2.2244	2.7824	3.0954	1.0860	2.2304	1.8231	3.1160		2.5187	2.5439	3.1438	3.7882
H9	2.2244	2.7824	3.0954	2.2304	1.0860	3.1160	1.8231	2.5187		2.5439	3.7882	3.1438
H10	2.1497	1.0949	3.0911	2.7479	2.7479	3.7838	3.7838	2.5439	2.5439		1.7695	1.7695
H11	2.1611	1.0948	2.5679	3.0882	3.4942	3.8175	4.3668	3.1438	3.7882	1.7695		1.7734
H12	2.1611	1.0948	2.5679	3.4942	3.0882	4.3668	3.8175	3.7882	3.1438	1.7695	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.338	C1	C2	H11	111.262
C1	C2	H12	111.262	C1	C4	H5	59.925
C1	C4	H6	118.677	C1	C4	H8	117.510
C1	H5	C4	59.925	C1	H5	H7	118.677
C1	H5	H9	117.510	C2	C1	C3	114.772
C2	C1	C4	120.085	C2	C1	H5	120.085
C3	C1	C4	115.495	C3	C1	H5	115.495
C4	C1	H5	60.149	C4	H5	H7	118.290
C4	H5	H9	117.765	H5	C4	H6	118.290
H5	C4	H8	117.765	H6	C4	H8	114.227
H7	H5	H9	114.227	H10	C2	H11	107.830
H10	C2	H12	107.830	H11	C2	H12	108.181

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)