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	hartrees
Energy at 0K	-155.466336
Energy at 298.15K
HF Energy	-154.877856
Nuclear repulsion energy	107.119368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3127	0.14
2	A'	3158	2991	16.37
3	A'	3073	2911	62.47
4	A'	3061	2900	28.43
5	A'	1866	1768	10.74
6	A'	1525	1444	5.97
7	A'	1482	1404	7.22
8	A'	1411	1336	0.71
9	A'	1218	1154	2.22
10	A'	1101	1043	13.73
11	A'	1075	1018	20.21
12	A'	991	939	5.63
13	A'	946	896	11.69
14	A'	684	648	0.63
15	A'	320	303	1.34
16	A"	3144	2978	45.31
17	A"	3136	2971	21.29
18	A"	1479	1401	6.92
19	A"	1115	1056	1.56
20	A"	1046	991	0.27
21	A"	992	940	1.85
22	A"	714	676	27.14
23	A"	290	275	10.29
24	A"	153	145	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.062	-1.340	0.000
C3	1.162	-0.432	0.000
C4	-0.832	1.417	0.000
H5	-0.345	-1.874	0.923
H6	-0.345	-1.874	-0.923
H7	2.250	-0.393	0.000
H8	-0.200	2.322	0.000
H9	-1.486	1.438	-0.891
H10	-1.486	1.438	0.891

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5214	1.3132	1.4903	2.2782	2.2782	2.3220	2.1509	2.1405	2.1405
C2	1.5214		1.5234	2.8624	1.1034	1.1034	2.4986	3.6644	3.2461	3.2461
C3	1.3132	1.5234		2.7188	2.2804	2.2804	1.0893	3.0723	3.3613	3.3613
C4	1.4903	2.8624	2.7188		3.4522	3.4522	3.5738	1.1034	1.1051	1.1051
H5	2.2782	1.1034	2.2804	3.4522		1.8467	3.1274	4.2984	3.9444	3.5028
H6	2.2782	1.1034	2.2804	3.4522	1.8467		3.1274	4.2984	3.5028	3.9444
H7	2.3220	2.4986	1.0893	3.5738	3.1274	3.1274		3.6569	4.2545	4.2545
H8	2.1509	3.6644	3.0723	1.1034	4.2984	4.2984	3.6569		1.7963	1.7963
H9	2.1405	3.2461	3.3613	1.1051	3.9444	3.5028	4.2545	1.7963		1.7810
H10	2.1405	3.2461	3.3613	1.1051	3.5028	3.9444	4.2545	1.7963	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.098	H1	C2	C6	119.587
C2	C3	C6	24.875	C2	C3	C10	72.485
C2	C6	C3	35.503	C2	C6	H4	49.555
C2	C6	H5	33.199	C3	C2	C6	119.622
C3	C6	H4	51.849	C3	C6	H5	66.115
C3	C10	H7	9.458	C3	C10	H8	65.092
C3	C10	H9	74.637	H4	C6	H5	74.487
C6	C3	C10	86.484	H7	C10	H8	58.640
H7	C10	H9	77.918	H8	C10	H9	60.281

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)

using model chemistry: CCSD/cc-pVDZ

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 C4H6 (1-Methylcyclopropene)

using model chemistry: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)