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	hartrees
Energy at 0K	-156.765334
Energy at 298.15K	-156.773967
HF Energy	-156.116324
Nuclear repulsion energy	124.543468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3126	10.32
2	A'	3224	3045	12.35
3	A'	3208	3030	6.47
4	A'	3185	3009	11.85
5	A'	3095	2923	21.62
6	A'	1536	1451	1.53
7	A'	1527	1442	6.61
8	A'	1446	1366	3.34
9	A'	1409	1331	2.26
10	A'	1255	1185	0.17
11	A'	1228	1160	0.10
12	A'	1069	1009	5.84
13	A'	1027	970	9.96
14	A'	953	900	2.57
15	A'	817	771	5.19
16	A'	784	740	0.54
17	A'	361	341	0.20
18	A"	3297	3114	0.11
19	A"	3203	3025	11.51
20	A"	3185	3008	16.91
21	A"	1523	1438	1.87
22	A"	1485	1402	1.66
23	A"	1210	1143	0.46
24	A"	1160	1096	0.03
25	A"	1128	1065	4.33
26	A"	1080	1020	1.42
27	A"	906	856	6.43
28	A"	827	781	4.17
29	A"	344	325	0.62
30	A"	236	223	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.351	0.409	0.000
C2	-0.889	1.266	0.000
H3	1.290	0.950	0.000
C4	0.351	-0.892	0.754
C5	0.351	-0.892	-0.754
H6	1.256	-1.195	1.262
H7	1.256	-1.195	-1.262
H8	-0.566	-1.176	1.255
H9	-0.566	-1.176	-1.255
H10	-1.783	0.639	0.000
H11	-0.931	1.906	0.884
H12	-0.931	1.906	-0.884

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5066	1.0840	1.5043	1.5043	2.2329	2.2329	2.2198	2.2198	2.1463	2.1597	2.1597
C2	1.5066		2.2014	2.6005	2.6005	3.4998	3.4998	2.7642	2.7642	1.0924	1.0922	1.0922
H3	1.0840	2.2014		2.2014	2.2014	2.4891	2.4891	3.0887	3.0887	3.0891	2.5745	2.5745
C4	1.5043	2.6005	2.2014		1.5084	1.0813	2.2307	1.0824	2.2263	2.7328	3.0806	3.4866
C5	1.5043	2.6005	2.2014	1.5084		2.2307	1.0813	2.2263	1.0824	2.7328	3.4866	3.0806
H6	2.2329	3.4998	2.4891	1.0813	2.2307		2.5238	1.8225	3.1071	3.7676	3.8135	4.3594
H7	2.2329	3.4998	2.4891	2.2307	1.0813	2.5238		3.1071	1.8225	3.7676	4.3594	3.8135
H8	2.2198	2.7642	3.0887	1.0824	2.2263	1.8225	3.1071		2.5091	2.5199	3.1256	3.7689
H9	2.2198	2.7642	3.0887	2.2263	1.0824	3.1071	1.8225	2.5091		2.5199	3.7689	3.1256
H10	2.1463	1.0924	3.0891	2.7328	2.7328	3.7676	3.7676	2.5199	2.5199		1.7643	1.7643
H11	2.1597	1.0922	2.5745	3.0806	3.4866	3.8135	4.3594	3.1256	3.7689	1.7643		1.7678
H12	2.1597	1.0922	2.5745	3.4866	3.0806	4.3594	3.8135	3.7689	3.1256	1.7643	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.334	C1	C2	H11	111.420
C1	C2	H12	111.420	C1	C4	H5	59.909
C1	C4	H6	118.529	C1	C4	H8	117.295
C1	H5	C4	59.909	C1	H5	H7	118.529
C1	H5	H9	117.295	C2	C1	C3	115.412
C2	C1	C4	119.471	C2	C1	H5	119.471
C3	C1	C4	115.580	C3	C1	H5	115.580
C4	C1	H5	60.181	C4	H5	H7	118.002
C4	H5	H9	117.535	H5	C4	H6	118.002
H5	C4	H8	117.535	H6	C4	H8	114.767
H7	H5	H9	114.767	H10	C2	H11	107.727
H10	C2	H12	107.727	H11	C2	H12	108.056

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)