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	hartrees
Energy at 0K	-154.387522
Energy at 298.15K
HF Energy	-153.987410
Nuclear repulsion energy	106.711719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3151	0.19
2	A'	3106	2971	21.75
3	A'	3105	2970	26.18
4	A'	3032	2901	16.98
5	A'	1811	1732	7.30
6	A'	1581	1512	3.99
7	A'	1571	1503	7.42
8	A'	1479	1415	1.14
9	A'	1200	1147	5.37
10	A'	1132	1083	2.02
11	A'	1100	1052	46.58
12	A'	971	929	1.30
13	A'	918	878	5.44
14	A'	620	593	0.13
15	A'	329	315	1.63
16	A"	3185	3046	36.75
17	A"	3087	2952	14.15
18	A"	1566	1498	7.09
19	A"	1139	1090	0.19
20	A"	1086	1039	2.13
21	A"	1031	986	1.89
22	A"	740	707	37.68
23	A"	295	282	13.52
24	A"	133	127	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.178	0.000
C2	-0.116	-1.367	0.000
C3	1.145	-0.458	0.000
C4	-0.776	1.455	0.000
H5	-0.399	-1.876	0.921
H6	-0.399	-1.876	-0.921
H7	2.221	-0.429	0.000
H8	-0.097	2.318	0.000
H9	-1.421	1.510	-0.889
H10	-1.421	1.510	0.889

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5500	1.3098	1.4937	2.2866	2.2866	2.3021	2.1420	2.1409	2.1409
C2	1.5500		1.5538	2.8981	1.0895	1.0895	2.5175	3.6856	3.2823	3.2823
C3	1.3098	1.5538		2.7109	2.2893	2.2893	1.0763	3.0417	3.3539	3.3539
C4	1.4937	2.8981	2.7109		3.4763	3.4763	3.5394	1.0986	1.1001	1.1001
H5	2.2866	1.0895	2.2893	3.4763		1.8414	3.1312	4.3050	3.9732	3.5371
H6	2.2866	1.0895	2.2893	3.4763	1.8414		3.1312	4.3050	3.5371	3.9732
H7	2.3021	2.5175	1.0763	3.5394	3.1312	3.1312		3.5942	4.2204	4.2204
H8	2.1420	3.6856	3.0417	1.0986	4.3050	4.3050	3.5942		1.7882	1.7882
H9	2.1409	3.2823	3.3539	1.1001	3.9732	3.5371	4.2204	1.7882		1.7788
H10	2.1409	3.2823	3.3539	1.1001	3.5371	3.9732	4.2204	1.7882	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	49.923	H1	C2	C6	119.030
C2	C3	C6	24.607	C2	C3	C10	73.904
C2	C6	C3	36.429	C2	C6	H4	49.968
C2	C6	H5	32.325	C3	C2	C6	118.965
C3	C6	H4	51.185	C3	C6	H5	66.287
C3	C10	H7	9.733	C3	C10	H8	64.338
C3	C10	H9	74.622	H4	C6	H5	74.642
C6	C3	C10	87.377	H7	C10	H8	57.585
H7	C10	H9	77.834	H8	C10	H9	60.174

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

using model chemistry: CCD/3-21G*

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/3-21G*

States and conformations

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