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	hartrees
Energy at 0K	-155.521946
Energy at 298.15K
HF Energy	-154.916719
Nuclear repulsion energy	108.320394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3163	0.17
2	A'	3159	2994	18.76
3	A'	3092	2931	66.09
4	A'	3070	2910	25.69
5	A'	1892	1793	12.56
6	A'	1567	1486	5.99
7	A'	1518	1439	7.43
8	A'	1443	1368	0.07
9	A'	1226	1162	3.38
10	A'	1113	1055	2.38
11	A'	1106	1048	35.90
12	A'	999	947	4.10
13	A'	963	913	13.05
14	A'	689	653	0.60
15	A'	331	314	1.32
16	A"	3160	2996	46.20
17	A"	3137	2974	18.10
18	A"	1504	1425	8.00
19	A"	1149	1089	2.88
20	A"	1064	1009	0.06
21	A"	1006	954	1.06
22	A"	666	631	35.56
23	A"	274	260	13.82
24	A"	149	142	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.176	0.000
C2	-0.036	-1.330	0.000
C3	1.155	-0.402	0.000
C4	-0.850	1.386	0.000
H5	-0.302	-1.860	0.913
H6	-0.302	-1.860	-0.913
H7	2.228	-0.345	0.000
H8	-0.245	2.293	0.000
H9	-1.496	1.394	-0.881
H10	-1.496	1.394	0.881

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5064	1.2920	1.4791	2.2521	2.2521	2.2880	2.1314	2.1209	2.1209
C2	1.5064		1.5099	2.8357	1.0887	1.0887	2.4683	3.6293	3.2138	3.2138
C3	1.2920	1.5099		2.6873	2.2549	2.2549	1.0739	3.0375	3.3217	3.3217
C4	1.4791	2.8357	2.6873		3.4168	3.4168	3.5319	1.0905	1.0924	1.0924
H5	2.2521	1.0887	2.2549	3.4168		1.8251	3.0870	4.2533	3.9030	3.4667
H6	2.2521	1.0887	2.2549	3.4168	1.8251		3.0870	4.2533	3.4667	3.9030
H7	2.2880	2.4683	1.0739	3.5319	3.0870	3.0870		3.6163	4.2037	4.2037
H8	2.1314	3.6293	3.0375	1.0905	4.2533	4.2533	3.6163		1.7751	1.7751
H9	2.1209	3.2138	3.3217	1.0924	3.9030	3.4667	4.2037	1.7751		1.7616
H10	2.1209	3.2138	3.3217	1.0924	3.4667	3.9030	4.2037	1.7751	1.7616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.724	H1	C2	C6	119.540
C2	C3	C6	24.845	C2	C3	C10	72.688
C2	C6	C3	35.640	C2	C6	H4	49.633
C2	C6	H5	33.052	C3	C2	C6	119.515
C3	C6	H4	51.759	C3	C6	H5	66.128
C3	C10	H7	9.404	C3	C10	H8	65.136
C3	C10	H9	74.624	H4	C6	H5	74.510
C6	C3	C10	86.612	H7	C10	H8	58.739
H7	C10	H9	77.905	H8	C10	H9	60.252

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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