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	hartrees
Energy at 0K	-155.195175
Energy at 298.15K
HF Energy	-154.791975
Nuclear repulsion energy	106.539372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3152	0.67
2	A'	3092	2967	22.16
3	A'	3081	2956	45.39
4	A'	3012	2890	26.94
5	A'	1838	1764	7.27
6	A'	1577	1513	4.79
7	A'	1547	1484	7.08
8	A'	1474	1414	0.61
9	A'	1219	1170	4.83
10	A'	1141	1095	10.01
11	A'	1113	1068	31.77
12	A'	988	948	0.02
13	A'	950	912	10.57
14	A'	651	625	0.33
15	A'	336	322	1.29
16	A"	3152	3025	53.51
17	A"	3074	2950	21.36
18	A"	1535	1473	7.39
19	A"	1142	1096	0.74
20	A"	1076	1032	0.66
21	A"	1018	976	1.34
22	A"	679	652	39.48
23	A"	274	263	12.57
24	A"	132	126	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.179	0.000
C2	-0.118	-1.361	0.000
C3	1.148	-0.468	0.000
C4	-0.774	1.458	0.000
H5	-0.412	-1.881	0.918
H6	-0.412	-1.881	-0.918
H7	2.230	-0.453	0.000
H8	-0.096	2.326	0.000
H9	-1.423	1.522	-0.890
H10	-1.423	1.522	0.890

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5444	1.3178	1.4943	2.2931	2.2931	2.3179	2.1494	2.1493	2.1493
C2	1.5444		1.5483	2.8936	1.0955	1.0955	2.5173	3.6873	3.2870	3.2870
C3	1.3178	1.5483		2.7206	2.2961	2.2961	1.0826	3.0591	3.3707	3.3707
C4	1.4943	2.8936	2.7206		3.4815	3.4815	3.5598	1.1023	1.1037	1.1037
H5	2.2931	1.0955	2.2961	3.4815		1.8355	3.1411	4.3183	3.9836	3.5499
H6	2.2931	1.0955	2.2961	3.4815	1.8355		3.1411	4.3183	3.5499	3.9836
H7	2.3179	2.5173	1.0826	3.5598	3.1411	3.1411		3.6239	4.2469	4.2469
H8	2.1494	3.6873	3.0591	1.1023	4.3183	4.3183	3.6239		1.7895	1.7895
H9	2.1493	3.2870	3.3707	1.1037	3.9836	3.5499	4.2469	1.7895		1.7804
H10	2.1493	3.2870	3.3707	1.1037	3.5499	3.9836	4.2469	1.7895	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.441	H1	C2	C6	119.623
C2	C3	C6	24.513	C2	C3	C10	73.556
C2	C6	C3	35.901	C2	C6	H4	49.563
C2	C6	H5	33.097	C3	C2	C6	119.586
C3	C6	H4	51.324	C3	C6	H5	66.441
C3	C10	H7	9.641	C3	C10	H8	64.434
C3	C10	H9	74.687	H4	C6	H5	74.715
C6	C3	C10	87.169	H7	C10	H8	57.773
H7	C10	H9	77.901	H8	C10	H9	60.169

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

using model chemistry: CCD/6-31G

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/6-31G

States and conformations

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