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	hartrees
Energy at 0K	-156.730166
Energy at 298.15K	-156.738854
HF Energy	-156.111096
Nuclear repulsion energy	124.342484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3093	26.62
2	A'	3242	3017	16.53
3	A'	3231	3007	14.59
4	A'	3194	2972	22.50
5	A'	3114	2898	34.85
6	A'	1580	1471	1.01
7	A'	1554	1446	7.68
8	A'	1484	1381	3.56
9	A'	1443	1343	2.70
10	A'	1274	1185	0.06
11	A'	1250	1163	0.14
12	A'	1115	1038	7.98
13	A'	1034	963	11.20
14	A'	972	905	2.01
15	A'	824	767	4.28
16	A'	799	743	4.60
17	A'	373	347	0.23
18	A"	3311	3081	0.22
19	A"	3225	3000	22.48
20	A"	3195	2973	31.87
21	A"	1543	1436	1.81
22	A"	1525	1419	1.50
23	A"	1241	1155	0.69
24	A"	1193	1110	0.00
25	A"	1147	1067	3.29
26	A"	1119	1041	1.20
27	A"	908	845	10.87
28	A"	856	797	5.14
29	A"	352	327	0.56
30	A"	227	211	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.405	0.000
C2	-0.885	1.279	0.000
H3	1.287	0.943	0.000
C4	0.348	-0.898	0.756
C5	0.348	-0.898	-0.756
H6	1.251	-1.201	1.264
H7	1.251	-1.201	-1.264
H8	-0.566	-1.184	1.257
H9	-0.566	-1.184	-1.257
H10	-1.785	0.664	0.000
H11	-0.915	1.917	0.884
H12	-0.915	1.917	-0.884

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5114	1.0829	1.5061	1.5061	2.2347	2.2347	2.2227	2.2227	2.1490	2.1595	2.1595
C2	1.5114		2.1979	2.6136	2.6136	3.5092	3.5092	2.7838	2.7838	1.0908	1.0905	1.0905
H3	1.0829	2.1979		2.2010	2.2010	2.4899	2.4899	3.0890	3.0890	3.0854	2.5649	2.5649
C4	1.5061	2.6136	2.2010		1.5111	1.0801	2.2332	1.0812	2.2292	2.7498	3.0882	3.4940
C5	1.5061	2.6136	2.2010	1.5111		2.2332	1.0801	2.2292	1.0812	2.7498	3.4940	3.0882
H6	2.2347	3.5092	2.4899	1.0801	2.2332		2.5281	1.8175	3.1082	3.7813	3.8161	4.3625
H7	2.2347	3.5092	2.4899	2.2332	1.0801	2.5281		3.1082	1.8175	3.7813	4.3625	3.8161
H8	2.2227	2.7838	3.0890	1.0812	2.2292	1.8175	3.1082		2.5148	2.5459	3.1431	3.7847
H9	2.2227	2.7838	3.0890	2.2292	1.0812	3.1082	1.8175	2.5148		2.5459	3.7847	3.1431
H10	2.1490	1.0908	3.0854	2.7498	2.7498	3.7813	3.7813	2.5459	2.5459		1.7637	1.7637
H11	2.1595	1.0905	2.5649	3.0882	3.4940	3.8161	4.3625	3.1431	3.7847	1.7637		1.7676
H12	2.1595	1.0905	2.5649	3.4940	3.0882	4.3625	3.8161	3.7847	3.1431	1.7637	1.7676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.302	C1	C2	H11	111.156
C1	C2	H12	111.156	C1	C4	H5	59.888
C1	C4	H6	118.629	C1	C4	H8	117.488
C1	H5	C4	59.888	C1	H5	H7	118.629
C1	H5	H9	117.488	C2	C1	C3	114.818
C2	C1	C4	120.032	C2	C1	H5	120.032
C3	C1	C4	115.488	C3	C1	H5	115.488
C4	C1	H5	60.224	C4	H5	H7	118.084
C4	H5	H9	117.654	H5	C4	H6	118.084
H5	C4	H8	117.654	H6	C4	H8	114.475
H7	H5	H9	114.475	H10	C2	H11	107.910
H10	C2	H12	107.910	H11	C2	H12	108.282

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)