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	hartrees
Energy at 0K	-154.338039
Energy at 298.15K
HF Energy	-153.989197
Nuclear repulsion energy	107.423860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3378	3143	0.21
2	A'	3180	2959	13.04
3	A'	3171	2950	38.43
4	A'	3106	2891	16.92
5	A'	1880	1749	8.77
6	A'	1617	1504	4.38
7	A'	1601	1490	8.45
8	A'	1514	1409	1.18
9	A'	1231	1145	6.25
10	A'	1162	1081	4.90
11	A'	1132	1054	50.47
12	A'	1002	932	0.73
13	A'	954	887	7.58
14	A'	650	605	0.17
15	A'	338	314	1.75
16	A"	3248	3022	39.99
17	A"	3160	2940	13.08
18	A"	1596	1486	7.97
19	A"	1171	1090	0.24
20	A"	1118	1040	2.96
21	A"	1055	981	2.17
22	A"	790	735	42.86
23	A"	314	292	14.62
24	A"	138	129	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.177	0.000
C2	-0.089	-1.359	0.000
C3	1.145	-0.436	0.000
C4	-0.798	1.431	0.000
H5	-0.366	-1.871	0.915
H6	-0.366	-1.871	-0.915
H7	2.214	-0.392	0.000
H8	-0.143	2.305	0.000
H9	-1.441	1.471	-0.884
H10	-1.441	1.471	0.884

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5386	1.2985	1.4862	2.2727	2.2727	2.2857	2.1324	2.1291	2.1291
C2	1.5386		1.5410	2.8784	1.0842	1.0842	2.4977	3.6640	3.2585	3.2585
C3	1.2985	1.5410		2.6943	2.2756	2.2756	1.0699	3.0279	3.3324	3.3324
C4	1.4862	2.8784	2.6943		3.4532	3.4532	3.5206	1.0924	1.0941	1.0941
H5	2.2727	1.0842	2.2756	3.4532		1.8297	3.1110	4.2804	3.9446	3.5106
H6	2.2727	1.0842	2.2756	3.4532	1.8297		3.1110	4.2804	3.5106	3.9446
H7	2.2857	2.4977	1.0699	3.5206	3.1110	3.1110		3.5812	4.1966	4.1966
H8	2.1324	3.6640	3.0279	1.0924	4.2804	4.2804	3.5812		1.7786	1.7786
H9	2.1291	3.2585	3.3324	1.0941	3.9446	3.5106	4.1966	1.7786		1.7685
H10	2.1291	3.2585	3.3324	1.0941	3.5106	3.9446	4.1966	1.7786	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	49.876	H1	C2	C6	119.087
C2	C3	C6	24.588	C2	C3	C10	73.819
C2	C6	C3	36.256	C2	C6	H4	49.984
C2	C6	H5	32.459	C3	C2	C6	119.155
C3	C6	H4	51.220	C3	C6	H5	66.295
C3	C10	H7	9.675	C3	C10	H8	64.515
C3	C10	H9	74.613	H4	C6	H5	74.637
C6	C3	C10	87.266	H7	C10	H8	57.823
H7	C10	H9	77.836	H8	C10	H9	60.189

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

using model chemistry: CID/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: CID/3-21G*

States and conformations

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