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	hartrees
Energy at 0K	-156.750851
Energy at 298.15K	-156.759545
HF Energy	-156.111174
Nuclear repulsion energy	124.478772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3327	3100	26.19
2	A'	3245	3023	16.36
3	A'	3234	3013	14.60
4	A'	3198	2979	22.08
5	A'	3117	2904	34.67
6	A'	1583	1475	1.05
7	A'	1556	1450	7.85
8	A'	1486	1384	3.62
9	A'	1445	1347	2.57
10	A'	1275	1188	0.06
11	A'	1251	1166	0.13
12	A'	1116	1040	8.07
13	A'	1036	965	11.29
14	A'	974	907	2.04
15	A'	826	769	4.33
16	A'	800	745	4.61
17	A'	374	348	0.22
18	A"	3314	3087	0.22
19	A"	3228	3007	22.21
20	A"	3199	2980	31.57
21	A"	1545	1439	1.81
22	A"	1528	1423	1.63
23	A"	1242	1157	0.70
24	A"	1195	1113	0.00
25	A"	1148	1070	3.39
26	A"	1121	1044	1.19
27	A"	910	847	10.82
28	A"	858	799	5.21
29	A"	353	329	0.57
30	A"	227	212	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.405	0.000
C2	-0.884	1.277	0.000
H3	1.286	0.943	0.000
C4	0.348	-0.897	0.755
C5	0.348	-0.897	-0.755
H6	1.250	-1.200	1.263
H7	1.250	-1.200	-1.263
H8	-0.565	-1.182	1.256
H9	-0.565	-1.182	-1.256
H10	-1.784	0.662	0.000
H11	-0.915	1.915	0.883
H12	-0.915	1.915	-0.883

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5098	1.0819	1.5043	1.5043	2.2324	2.2324	2.2204	2.2204	2.1469	2.1574	2.1574
C2	1.5098		2.1959	2.6103	2.6103	3.5053	3.5053	2.7800	2.7800	1.0897	1.0894	1.0894
H3	1.0819	2.1959		2.1989	2.1989	2.4877	2.4877	3.0860	3.0860	3.0826	2.5627	2.5627
C4	1.5043	2.6103	2.1989		1.5095	1.0791	2.2308	1.0802	2.2270	2.7462	3.0846	3.4900
C5	1.5043	2.6103	2.1989	1.5095		2.2308	1.0791	2.2270	1.0802	2.7462	3.4900	3.0846
H6	2.2324	3.5053	2.4877	1.0791	2.2308		2.5255	1.8157	3.1052	3.7770	3.8122	4.3580
H7	2.2324	3.5053	2.4877	2.2308	1.0791	2.5255		3.1052	1.8157	3.7770	4.3580	3.8122
H8	2.2204	2.7800	3.0860	1.0802	2.2270	1.8157	3.1052		2.5125	2.5423	3.1388	3.7801
H9	2.2204	2.7800	3.0860	2.2270	1.0802	3.1052	1.8157	2.5125		2.5423	3.7801	3.1388
H10	2.1469	1.0897	3.0826	2.7462	2.7462	3.7770	3.7770	2.5423	2.5423		1.7617	1.7617
H11	2.1574	1.0894	2.5627	3.0846	3.4900	3.8122	4.3580	3.1388	3.7801	1.7617		1.7658
H12	2.1574	1.0894	2.5627	3.4900	3.0846	4.3580	3.8122	3.7801	3.1388	1.7617	1.7658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.314	C1	C2	H11	111.168
C1	C2	H12	111.168	C1	C4	H5	59.886
C1	C4	H6	118.637	C1	C4	H8	117.490
C1	H5	C4	59.886	C1	H5	H7	118.637
C1	H5	H9	117.490	C2	C1	C3	114.835
C2	C1	C4	119.995	C2	C1	H5	119.995
C3	C1	C4	115.511	C3	C1	H5	115.511
C4	C1	H5	60.228	C4	H5	H7	118.083
C4	H5	H9	117.664	H5	C4	H6	118.083
H5	C4	H8	117.664	H6	C4	H8	114.464
H7	H5	H9	114.464	H10	C2	H11	107.893
H10	C2	H12	107.893	H11	C2	H12	108.277

All results from a given calculation for C₄H₈ (methylcyclopropane)

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

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)