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	hartrees
Energy at 0K	-156.721623
Energy at 298.15K	-156.730248
HF Energy	-156.121002
Nuclear repulsion energy	123.843845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3090	33.00
2	A'	3150	3015	17.36
3	A'	3138	3004	16.67
4	A'	3099	2967	23.01
5	A'	3028	2899	32.79
6	A'	1550	1484	1.39
7	A'	1531	1466	10.18
8	A'	1463	1401	4.72
9	A'	1423	1363	1.18
10	A'	1254	1200	0.06
11	A'	1232	1180	0.06
12	A'	1085	1038	8.48
13	A'	1018	974	10.17
14	A'	957	916	2.91
15	A'	810	775	4.64
16	A'	785	751	3.58
17	A'	369	354	0.19
18	A"	3213	3076	0.25
19	A"	3131	2998	24.12
20	A"	3098	2966	33.35
21	A"	1522	1457	2.52
22	A"	1495	1432	3.97
23	A"	1219	1167	0.75
24	A"	1170	1120	0.03
25	A"	1131	1083	4.36
26	A"	1089	1043	1.56
27	A"	892	854	8.73
28	A"	840	804	5.35
29	A"	347	332	0.68
30	A"	220	211	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.405	0.000
C2	-0.884	1.286	0.000
H3	1.295	0.944	0.000
C4	0.348	-0.902	0.758
C5	0.348	-0.902	-0.758
H6	1.257	-1.206	1.270
H7	1.257	-1.206	-1.270
H8	-0.571	-1.191	1.263
H9	-0.571	-1.191	-1.263
H10	-1.796	0.675	0.000
H11	-0.912	1.930	0.888
H12	-0.912	1.930	-0.888

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5139	1.0902	1.5108	1.5108	2.2440	2.2440	2.2336	2.2336	2.1605	2.1679	2.1679
C2	1.5139		2.2057	2.6224	2.6224	3.5220	3.5220	2.7981	2.7981	1.0976	1.0976	1.0976
H3	1.0902	2.2057		2.2090	2.2090	2.4974	2.4974	3.1048	3.1048	3.1029	2.5753	2.5753
C4	1.5108	2.6224	2.2090		1.5155	1.0871	2.2432	1.0881	2.2390	2.7671	3.1019	3.5092
C5	1.5108	2.6224	2.2090	1.5155		2.2432	1.0871	2.2390	1.0881	2.7671	3.5092	3.1019
H6	2.2440	3.5220	2.4974	1.0871	2.2432		2.5406	1.8284	3.1245	3.8043	3.8317	4.3813
H7	2.2440	3.5220	2.4974	2.2432	1.0871	2.5406		3.1245	1.8284	3.8043	4.3813	3.8317
H8	2.2336	2.7981	3.1048	1.0881	2.2390	1.8284	3.1245		2.5267	2.5651	3.1619	3.8061
H9	2.2336	2.7981	3.1048	2.2390	1.0881	3.1245	1.8284	2.5267		2.5651	3.8061	3.1619
H10	2.1605	1.0976	3.1029	2.7671	2.7671	3.8043	3.8043	2.5651	2.5651		1.7732	1.7732
H11	2.1679	1.0976	2.5753	3.1019	3.5092	3.8317	4.3813	3.1619	3.8061	1.7732		1.7766
H12	2.1679	1.0976	2.5753	3.5092	3.1019	4.3813	3.8317	3.8061	3.1619	1.7732	1.7766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.637	C1	C2	H11	111.230
C1	C2	H12	111.230	C1	C4	H5	59.897
C1	C4	H6	118.577	C1	C4	H8	117.583
C1	H5	C4	59.897	C1	H5	H7	118.577
C1	H5	H9	117.583	C2	C1	C3	114.803
C2	C1	C4	120.218	C2	C1	H5	120.218
C3	C1	C4	115.317	C3	C1	H5	115.317
C4	C1	H5	60.205	C4	H5	H7	118.130
C4	H5	H9	117.687	H5	C4	H6	118.130
H5	C4	H8	117.687	H6	C4	H8	114.397
H7	H5	H9	114.397	H10	C2	H11	107.765
H10	C2	H12	107.765	H11	C2	H12	108.066

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)