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	hartrees
Energy at 0K	-156.659996
Energy at 298.15K	-156.668658
HF Energy	-156.095091
Nuclear repulsion energy	124.084287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3088	25.75
2	A'	3184	3013	12.35
3	A'	3177	3007	18.72
4	A'	3142	2974	18.34
5	A'	3067	2903	27.33
6	A'	1577	1493	1.06
7	A'	1554	1471	7.05
8	A'	1484	1404	3.25
9	A'	1446	1368	1.70
10	A'	1276	1208	0.14
11	A'	1250	1183	0.06
12	A'	1116	1056	6.68
13	A'	1036	981	9.36
14	A'	971	919	3.16
15	A'	824	780	4.71
16	A'	799	756	2.35
17	A'	374	354	0.19
18	A"	3250	3076	0.23
19	A"	3171	3001	19.79
20	A"	3145	2977	28.07
21	A"	1546	1463	1.77
22	A"	1520	1439	2.02
23	A"	1237	1171	0.45
24	A"	1195	1131	0.28
25	A"	1147	1085	4.26
26	A"	1117	1057	1.50
27	A"	914	865	7.27
28	A"	852	807	4.79
29	A"	349	331	0.65
30	A"	226	214	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.347	0.402	0.000
C2	-0.882	1.285	0.000
H3	1.292	0.945	0.000
C4	0.347	-0.900	0.754
C5	0.347	-0.900	-0.754
H6	1.254	-1.205	1.271
H7	1.254	-1.205	-1.271
H8	-0.570	-1.190	1.263
H9	-0.570	-1.190	-1.263
H10	-1.794	0.675	0.000
H11	-0.908	1.928	0.889
H12	-0.908	1.928	-0.889

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5124	1.0902	1.5050	1.5050	2.2404	2.2404	2.2301	2.2301	2.1577	2.1658	2.1658
C2	1.5124		2.1999	2.6175	2.6175	3.5174	3.5174	2.7963	2.7963	1.0975	1.0973	1.0973
H3	1.0902	2.1999		2.2064	2.2064	2.4975	2.4975	3.1024	3.1024	3.0976	2.5678	2.5678
C4	1.5050	2.6175	2.2064		1.5088	1.0874	2.2398	1.0883	2.2353	2.7624	3.0967	3.5030
C5	1.5050	2.6175	2.2064	1.5088		2.2398	1.0874	2.2353	1.0883	2.7624	3.5030	3.0967
H6	2.2404	3.5174	2.4975	1.0874	2.2398		2.5412	1.8246	3.1225	3.7995	3.8252	4.3759
H7	2.2404	3.5174	2.4975	2.2398	1.0874	2.5412		3.1225	1.8246	3.7995	4.3759	3.8252
H8	2.2301	2.7963	3.1024	1.0883	2.2353	1.8246	3.1225		2.5268	2.5634	3.1588	3.8038
H9	2.2301	2.7963	3.1024	2.2353	1.0883	3.1225	1.8246	2.5268		2.5634	3.8038	3.1588
H10	2.1577	1.0975	3.0976	2.7624	2.7624	3.7995	3.7995	2.5634	2.5634		1.7736	1.7736
H11	2.1658	1.0973	2.5678	3.0967	3.5030	3.8252	4.3759	3.1588	3.8038	1.7736		1.7772
H12	2.1658	1.0973	2.5678	3.5030	3.0967	4.3759	3.8252	3.8038	3.1588	1.7736	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.525	C1	C2	H11	111.184
C1	C2	H12	111.184	C1	C4	H5	59.918
C1	C4	H6	118.700	C1	C4	H8	117.718
C1	H5	C4	59.918	C1	H5	H7	118.700
C1	H5	H9	117.718	C2	C1	C3	114.422
C2	C1	C4	120.332	C2	C1	H5	120.332
C3	C1	C4	115.530	C3	C1	H5	115.530
C4	C1	H5	60.164	C4	H5	H7	118.339
C4	H5	H9	117.887	H5	C4	H6	118.339
H5	C4	H8	117.887	H6	C4	H8	113.986
H7	H5	H9	113.986	H10	C2	H11	107.825
H10	C2	H12	107.825	H11	C2	H12	108.158

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)