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	hartrees
Energy at 0K	-156.703044
Energy at 298.15K	-156.711742
HF Energy	-156.108991
Nuclear repulsion energy	124.749420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3335	3117	19.58
2	A'	3246	3033	17.11
3	A'	3235	3022	11.89
4	A'	3213	3002	15.41
5	A'	3120	2915	27.44
6	A'	1580	1477	0.62
7	A'	1564	1461	6.07
8	A'	1482	1385	2.65
9	A'	1443	1349	2.72
10	A'	1279	1195	0.20
11	A'	1253	1171	0.12
12	A'	1111	1038	7.08
13	A'	1043	975	8.78
14	A'	974	910	2.37
15	A'	828	773	4.75
16	A'	801	749	1.62
17	A'	371	347	0.22
18	A"	3323	3105	0.19
19	A"	3229	3017	16.89
20	A"	3214	3004	25.34
21	A"	1555	1453	1.34
22	A"	1528	1428	1.05
23	A"	1240	1158	0.50
24	A"	1195	1117	0.02
25	A"	1152	1076	3.92
26	A"	1112	1039	1.30
27	A"	917	857	7.06
28	A"	851	795	4.36
29	A"	351	328	0.62
30	A"	238	222	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.347	0.405	0.000
C2	-0.882	1.272	0.000
H3	1.286	0.944	0.000
C4	0.347	-0.894	0.752
C5	0.347	-0.894	-0.752
H6	1.249	-1.196	1.262
H7	1.249	-1.196	-1.262
H8	-0.566	-1.178	1.254
H9	-0.566	-1.178	-1.254
H10	-1.779	0.654	0.000
H11	-0.917	1.910	0.882
H12	-0.917	1.910	-0.882

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5049	1.0825	1.5005	1.5005	2.2289	2.2289	2.2159	2.2159	2.1414	2.1546	2.1546
C2	1.5049		2.1930	2.6017	2.6017	3.4968	3.4968	2.7699	2.7699	1.0894	1.0892	1.0892
H3	1.0825	2.1930		2.1963	2.1963	2.4845	2.4845	3.0829	3.0829	3.0791	2.5620	2.5620
C4	1.5005	2.6017	2.1963		1.5039	1.0794	2.2273	1.0803	2.2222	2.7357	3.0783	3.4828
C5	1.5005	2.6017	2.1963	1.5039		2.2273	1.0794	2.2222	1.0803	2.7357	3.4828	3.0783
H6	2.2289	3.4968	2.4845	1.0794	2.2273		2.5241	1.8158	3.1026	3.7667	3.8055	4.3516
H7	2.2289	3.4968	2.4845	2.2273	1.0794	2.5241		3.1026	1.8158	3.7667	4.3516	3.8055
H8	2.2159	2.7699	3.0829	1.0803	2.2222	1.8158	3.1026		2.5074	2.5294	3.1294	3.7707
H9	2.2159	2.7699	3.0829	2.2222	1.0803	3.1026	1.8158	2.5074		2.5294	3.7707	3.1294
H10	2.1414	1.0894	3.0791	2.7357	2.7357	3.7667	3.7667	2.5294	2.5294		1.7606	1.7606
H11	2.1546	1.0892	2.5620	3.0783	3.4828	3.8055	4.3516	3.1294	3.7707	1.7606		1.7646
H12	2.1546	1.0892	2.5620	3.4828	3.0783	4.3516	3.8055	3.7707	3.1294	1.7606	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.235	C1	C2	H11	111.311
C1	C2	H12	111.311	C1	C4	H5	59.925
C1	C4	H6	118.616	C1	C4	H8	117.393
C1	H5	C4	59.925	C1	H5	H7	118.616
C1	H5	H9	117.393	C2	C1	C3	114.922
C2	C1	C4	119.919	C2	C1	H5	119.919
C3	C1	C4	115.540	C3	C1	H5	115.540
C4	C1	H5	60.150	C4	H5	H7	118.201
C4	H5	H9	117.674	H5	C4	H6	118.201
H5	C4	H8	117.674	H6	C4	H8	114.444
H7	H5	H9	114.444	H10	C2	H11	107.824
H10	C2	H12	107.824	H11	C2	H12	108.199

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)