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	hartrees
Energy at 0K	-156.679444
Energy at 298.15K	-156.688062
HF Energy	-156.094713
Nuclear repulsion energy	123.869275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3245	3098
2	A'	3162	3019
3	A'	3156	3013
4	A'	3122	2981
5	A'	3046	2908
6	A'	1558	1488
7	A'	1545	1476
8	A'	1468	1402
9	A'	1431	1366
10	A'	1261	1204
11	A'	1238	1182
12	A'	1096	1046
13	A'	1024	978
14	A'	961	918
15	A'	814	777
16	A'	788	753
17	A'	369	352
18	A"	3232	3086
19	A"	3151	3008
20	A"	3126	2985
21	A"	1538	1469
22	A"	1509	1441
23	A"	1225	1169
24	A"	1180	1127
25	A"	1136	1085
26	A"	1096	1047
27	A"	896	855
28	A"	842	804
29	A"	345	329
30	A"	224	214

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.406	0.000
C2	-0.885	1.283	0.000
H3	1.295	0.950	0.000
C4	0.348	-0.901	0.756
C5	0.348	-0.901	-0.756
H6	1.257	-1.206	1.273
H7	1.257	-1.206	-1.273
H8	-0.571	-1.189	1.266
H9	-0.571	-1.189	-1.266
H10	-1.793	0.664	0.000
H11	-0.917	1.927	0.890
H12	-0.917	1.927	-0.890

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5135	1.0919	1.5097	1.5097	2.2459	2.2459	2.2341	2.2341	2.1573	2.1692	2.1692
C2	1.5135		2.2055	2.6196	2.6196	3.5220	3.5220	2.7950	2.7950	1.0992	1.0988	1.0988
H3	1.0919	2.2055		2.2120	2.2120	2.5038	2.5038	3.1080	3.1080	3.1018	2.5765	2.5765
C4	1.5097	2.6196	2.2120		1.5129	1.0889	2.2443	1.0898	2.2399	2.7583	3.1004	3.5079
C5	1.5097	2.6196	2.2120	1.5129		2.2443	1.0889	2.2399	1.0898	2.7583	3.5079	3.1004
H6	2.2459	3.5220	2.5038	1.0889	2.2443		2.5457	1.8282	3.1283	3.7978	3.8322	4.3837
H7	2.2459	3.5220	2.5038	2.2443	1.0889	2.5457		3.1283	1.8282	3.7978	4.3837	3.8322
H8	2.2341	2.7950	3.1080	1.0898	2.2399	1.8282	3.1283		2.5312	2.5555	3.1573	3.8045
H9	2.2341	2.7950	3.1080	2.2399	1.0898	3.1283	1.8282	2.5312		2.5555	3.8045	3.1573
H10	2.1573	1.0992	3.1018	2.7583	2.7583	3.7978	3.7978	2.5555	2.5555		1.7762	1.7762
H11	2.1692	1.0988	2.5765	3.1004	3.5079	3.8322	4.3837	3.1573	3.8045	1.7762		1.7799
H12	2.1692	1.0988	2.5765	3.5079	3.1004	4.3837	3.8322	3.8045	3.1573	1.7762	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.313	C1	C2	H11	111.282
C1	C2	H12	111.282	C1	C4	H5	59.931
C1	C4	H6	118.702	C1	C4	H8	117.587
C1	H5	C4	59.931	C1	H5	H7	118.702
C1	H5	H9	117.587	C2	C1	C3	114.701
C2	C1	C4	120.104	C2	C1	H5	120.104
C3	C1	C4	115.539	C3	C1	H5	115.539
C4	C1	H5	60.137	C4	H5	H7	118.312
C4	H5	H9	117.852	H5	C4	H6	118.312
H5	C4	H8	117.852	H6	C4	H8	114.097
H7	H5	H9	114.097	H10	C2	H11	107.820
H10	C2	H12	107.820	H11	C2	H12	108.185

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)