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	hartrees
Energy at 0K	-156.811098
Energy at 298.15K	-156.819738
HF Energy	-156.116264
Nuclear repulsion energy	124.286636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3101	18.14
2	A'	3202	3027	13.61
3	A'	3189	3015	10.64
4	A'	3153	2981	16.49
5	A'	3078	2910	24.34
6	A'	1547	1462	0.76
7	A'	1532	1449	6.38
8	A'	1460	1381	2.89
9	A'	1420	1343	2.51
10	A'	1256	1188	0.14
11	A'	1232	1165	0.07
12	A'	1089	1029	5.05
13	A'	1024	968	7.71
14	A'	956	904	2.54
15	A'	814	769	4.84
16	A'	785	742	1.05
17	A'	363	343	0.18
18	A"	3266	3088	0.15
19	A"	3182	3009	16.58
20	A"	3152	2980	22.93
21	A"	1526	1443	1.58
22	A"	1494	1412	1.21
23	A"	1220	1153	0.35
24	A"	1174	1110	0.17
25	A"	1133	1071	3.78
26	A"	1102	1042	0.93
27	A"	904	855	6.93
28	A"	833	787	3.96
29	A"	345	326	0.51
30	A"	230	217	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.350	0.407	0.000
C2	-0.888	1.274	0.000
H3	1.289	0.949	0.000
C4	0.350	-0.896	0.755
C5	0.350	-0.896	-0.755
H6	1.255	-1.199	1.265
H7	1.255	-1.199	-1.265
H8	-0.566	-1.183	1.258
H9	-0.566	-1.183	-1.258
H10	-1.790	0.655	0.000
H11	-0.924	1.916	0.885
H12	-0.924	1.916	-0.885

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5113	1.0849	1.5062	1.5062	2.2359	2.2359	2.2249	2.2249	2.1539	2.1637	2.1637
C2	1.5113		2.2014	2.6101	2.6101	3.5086	3.5086	2.7794	2.7794	1.0937	1.0935	1.0935
H3	1.0849	2.2014		2.2043	2.2043	2.4932	2.4932	3.0940	3.0940	3.0931	2.5721	2.5721
C4	1.5062	2.6101	2.2043		1.5106	1.0825	2.2346	1.0834	2.2304	2.7487	3.0896	3.4956
C5	1.5062	2.6101	2.2043	1.5106		2.2346	1.0825	2.2304	1.0834	2.7487	3.4956	3.0896
H6	2.2359	3.5086	2.4932	1.0825	2.2346		2.5301	1.8215	3.1119	3.7831	3.8203	4.3672
H7	2.2359	3.5086	2.4932	2.2346	1.0825	2.5301		3.1119	1.8215	3.7831	4.3672	3.8203
H8	2.2249	2.7794	3.0940	1.0834	2.2304	1.8215	3.1119		2.5161	2.5418	3.1417	3.7846
H9	2.2249	2.7794	3.0940	2.2304	1.0834	3.1119	1.8215	2.5161		2.5418	3.7846	3.1417
H10	2.1539	1.0937	3.0931	2.7487	2.7487	3.7831	3.7831	2.5418	2.5418		1.7665	1.7665
H11	2.1637	1.0935	2.5721	3.0896	3.4956	3.8203	4.3672	3.1417	3.7846	1.7665		1.7696
H12	2.1637	1.0935	2.5721	3.4956	3.0896	4.3672	3.8203	3.7846	3.1417	1.7665	1.7696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.530	C1	C2	H11	111.325
C1	C2	H12	111.325	C1	C4	H5	59.904
C1	C4	H6	118.564	C1	C4	H8	117.511
C1	H5	C4	59.904	C1	H5	H7	118.564
C1	H5	H9	117.511	C2	C1	C3	114.991
C2	C1	C4	119.766	C2	C1	H5	119.766
C3	C1	C4	115.625	C3	C1	H5	115.625
C4	C1	H5	60.193	C4	H5	H7	118.096
C4	H5	H9	117.648	H5	C4	H6	118.096
H5	C4	H8	117.648	H6	C4	H8	114.491
H7	H5	H9	114.491	H10	C2	H11	107.739
H10	C2	H12	107.739	H11	C2	H12	108.029

All results from a given calculation for C₄H₈ (methylcyclopropane)

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

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)