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	hartrees
Energy at 0K	-26.866961
Energy at 298.15K	-26.875567
HF Energy	-26.506125
Nuclear repulsion energy	68.787565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3129	46.83
2	A'	3114	3040	23.49
3	A'	3092	3018	18.67
4	A'	3054	2980	30.98
5	A'	2953	2882	44.80
6	A'	1534	1497	6.70
7	A'	1520	1484	3.17
8	A'	1452	1417	4.76
9	A'	1410	1376	2.17
10	A'	1238	1208	0.02
11	A'	1223	1194	0.05
12	A'	1127	1100	16.93
13	A'	990	966	4.29
14	A'	948	925	5.17
15	A'	811	791	1.01
16	A'	754	736	10.21
17	A'	363	354	0.19
18	A"	3189	3112	0.33
19	A"	3081	3007	29.89
20	A"	3057	2983	45.46
21	A"	1522	1486	2.44
22	A"	1495	1459	2.16
23	A"	1224	1194	0.90
24	A"	1191	1162	0.11
25	A"	1138	1111	6.43
26	A"	1123	1096	0.28
27	A"	866	845	0.81
28	A"	840	820	20.13
29	A"	345	336	0.85
30	A"	202	197	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.355	0.420	0.000
C2	-0.904	1.309	0.000
H3	1.305	0.966	0.000
C4	0.355	-0.921	0.780
C5	0.355	-0.921	-0.780
H6	1.272	-1.228	1.287
H7	1.272	-1.228	-1.287
H8	-0.571	-1.210	1.284
H9	-0.571	-1.210	-1.284
H10	-1.814	0.682	0.000
H11	-0.931	1.955	0.896
H12	-0.931	1.955	-0.896

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5417	1.0949	1.5512	1.5512	2.2830	2.2830	2.2720	2.2720	2.1856	2.1938	2.1938
C2	1.5417		2.2354	2.6773	2.6773	3.5817	3.5817	2.8468	2.8468	1.1051	1.1044	1.1044
H3	1.0949	2.2354		2.2514	2.2514	2.5434	2.5434	3.1461	3.1461	3.1319	2.6037	2.6037
C4	1.5512	2.6773	2.2514		1.5590	1.0918	2.2817	1.0932	2.2799	2.8084	3.1526	3.5681
C5	1.5512	2.6773	2.2514	1.5590		2.2817	1.0918	2.2799	1.0932	2.8084	3.5681	3.1526
H6	2.2830	3.5817	2.5434	1.0918	2.2817		2.5746	1.8428	3.1632	3.8512	3.8903	4.4437
H7	2.2830	3.5817	2.5434	2.2817	1.0918	2.5746		3.1632	1.8428	3.8512	4.4437	3.8903
H8	2.2720	2.8468	3.1461	1.0932	2.2799	1.8428	3.1632		2.5674	2.6030	3.2086	3.8593
H9	2.2720	2.8468	3.1461	2.2799	1.0932	3.1632	1.8428	2.5674		2.6030	3.8593	3.2086
H10	2.1856	1.1051	3.1319	2.8084	2.8084	3.8512	3.8512	2.6030	2.6030		1.7892	1.7892
H11	2.1938	1.1044	2.6037	3.1526	3.5681	3.8903	4.4437	3.2086	3.8593	1.7892		1.7913
H12	2.1938	1.1044	2.6037	3.5681	3.1526	4.4437	3.8903	3.8593	3.2086	1.7892	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.236	C1	C2	H11	110.917
C1	C2	H12	110.917	C1	C4	H5	59.833
C1	C4	H6	118.455	C1	C4	H8	117.396
C1	H5	C4	59.833	C1	H5	H7	118.455
C1	H5	H9	117.396	C2	C1	C3	114.895
C2	C1	C4	119.905	C2	C1	H5	119.905
C3	C1	C4	115.520	C3	C1	H5	115.520
C4	C1	H5	60.334	C4	H5	H7	117.716
C4	H5	H9	117.464	H5	C4	H6	117.716
H5	C4	H8	117.464	H6	C4	H8	114.992
H7	H5	H9	114.992	H10	C2	H11	108.146
H10	C2	H12	108.146	H11	C2	H12	108.382

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)