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	hartrees
Energy at 0K	-156.855679
Energy at 298.15K	-156.864373
HF Energy	-156.145875
Nuclear repulsion energy	124.562960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3071	25.79
2	A'	3214	3000	16.63
3	A'	3196	2984	10.15
4	A'	3150	2942	24.05
5	A'	3076	2872	31.01
6	A'	1558	1455	1.25
7	A'	1536	1434	7.57
8	A'	1465	1368	3.14
9	A'	1428	1334	2.06
10	A'	1265	1181	0.05
11	A'	1242	1160	0.09
12	A'	1112	1039	8.74
13	A'	1026	958	7.63
14	A'	971	906	2.39
15	A'	823	768	2.48
16	A'	795	742	5.82
17	A'	376	351	0.27
18	A"	3275	3058	0.28
19	A"	3189	2978	20.49
20	A"	3152	2943	30.72
21	A"	1525	1424	1.49
22	A"	1508	1408	2.16
23	A"	1237	1155	0.69
24	A"	1192	1113	0.01
25	A"	1144	1068	3.74
26	A"	1123	1048	0.76
27	A"	898	839	10.09
28	A"	860	803	5.23
29	A"	355	332	0.53
30	A"	221	207	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.349	0.405	0.000
C2	-0.886	1.273	0.000
H3	1.286	0.945	0.000
C4	0.349	-0.894	0.754
C5	0.349	-0.894	-0.754
H6	1.253	-1.198	1.259
H7	1.253	-1.198	-1.259
H8	-0.567	-1.181	1.253
H9	-0.567	-1.181	-1.253
H10	-1.784	0.654	0.000
H11	-0.918	1.912	0.884
H12	-0.918	1.912	-0.884

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5087	1.0817	1.5027	1.5027	2.2300	2.2300	2.2183	2.2183	2.1472	2.1572	2.1572
C2	1.5087		2.1963	2.6058	2.6058	3.5021	3.5021	2.7732	2.7732	1.0911	1.0907	1.0907
H3	1.0817	2.1963		2.1978	2.1978	2.4852	2.4852	3.0851	3.0851	3.0839	2.5636	2.5636
C4	1.5027	2.6058	2.1978		1.5090	1.0793	2.2281	1.0805	2.2243	2.7416	3.0812	3.4872
C5	1.5027	2.6058	2.1978	1.5090		2.2281	1.0793	2.2243	1.0805	2.7416	3.4872	3.0812
H6	2.2300	3.5021	2.4852	1.0793	2.2281		2.5180	1.8200	3.1016	3.7737	3.8107	4.3557
H7	2.2300	3.5021	2.4852	2.2281	1.0793	2.5180		3.1016	1.8200	3.7737	4.3557	3.8107
H8	2.2183	2.7732	3.0851	1.0805	2.2243	1.8200	3.1016		2.5050	2.5333	3.1338	3.7746
H9	2.2183	2.7732	3.0851	2.2243	1.0805	3.1016	1.8200	2.5050		2.5333	3.7746	3.1338
H10	2.1472	1.0911	3.0839	2.7416	2.7416	3.7737	3.7737	2.5333	2.5333		1.7643	1.7643
H11	2.1572	1.0907	2.5636	3.0812	3.4872	3.8107	4.3557	3.1338	3.7746	1.7643		1.7674
H12	2.1572	1.0907	2.5636	3.4872	3.0812	4.3557	3.8107	3.7746	3.1338	1.7643	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.330	C1	C2	H11	111.151
C1	C2	H12	111.151	C1	C4	H5	59.862
C1	C4	H6	118.543	C1	C4	H8	117.411
C1	H5	C4	59.862	C1	H5	H7	118.543
C1	H5	H9	117.411	C2	C1	C3	114.961
C2	C1	C4	119.838	C2	C1	H5	119.838
C3	C1	C4	115.552	C3	C1	H5	115.552
C4	C1	H5	60.277	C4	H5	H7	117.867
C4	H5	H9	117.446	H5	C4	H6	117.867
H5	C4	H8	117.446	H6	C4	H8	114.839
H7	H5	H9	114.839	H10	C2	H11	107.927
H10	C2	H12	107.927	H11	C2	H12	108.231

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)