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	hartrees
Energy at 0K	-155.484105
Energy at 298.15K
HF Energy	-154.882661
Nuclear repulsion energy	107.120865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3184	0.11
2	A'	3138	3026	17.38
3	A'	3067	2959	68.28
4	A'	3045	2937	25.50
5	A'	1863	1797	12.56
6	A'	1524	1470	4.61
7	A'	1480	1427	7.65
8	A'	1404	1354	0.11
9	A'	1206	1164	3.39
10	A'	1089	1050	6.15
11	A'	1068	1030	24.11
12	A'	988	953	6.68
13	A'	942	908	12.25
14	A'	678	654	0.66
15	A'	320	309	1.40
16	A"	3140	3028	42.96
17	A"	3117	3006	16.11
18	A"	1475	1423	6.94
19	A"	1108	1068	1.96
20	A"	1043	1006	0.01
21	A"	990	955	1.52
22	A"	690	666	33.32
23	A"	277	267	12.60
24	A"	161	155	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.058	-1.342	0.000
C3	1.163	-0.426	0.000
C4	-0.837	1.414	0.000
H5	-0.336	-1.875	0.922
H6	-0.336	-1.875	-0.922
H7	2.250	-0.385	0.000
H8	-0.207	2.319	0.000
H9	-1.489	1.432	-0.890
H10	-1.489	1.432	0.890

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5232	1.3115	1.4915	2.2768	2.2768	2.3195	2.1492	2.1398	2.1398
C2	1.5232		1.5274	2.8644	1.1006	1.1006	2.4988	3.6642	3.2461	3.2461
C3	1.3115	1.5274		2.7179	2.2800	2.2800	1.0871	3.0679	3.3587	3.3587
C4	1.4915	2.8644	2.7179		3.4522	3.4522	3.5728	1.1021	1.1037	1.1037
H5	2.2768	1.1006	2.2800	3.4522		1.8449	3.1235	4.2955	3.9432	3.5020
H6	2.2768	1.1006	2.2800	3.4522	1.8449		3.1235	4.2955	3.5020	3.9432
H7	2.3195	2.4988	1.0871	3.5728	3.1235	3.1235		3.6535	4.2514	4.2514
H8	2.1492	3.6642	3.0679	1.1021	4.2955	4.2955	3.6535		1.7949	1.7949
H9	2.1398	3.2461	3.3587	1.1037	3.9432	3.5020	4.2514	1.7949		1.7803
H10	2.1398	3.2461	3.3587	1.1037	3.5020	3.9432	4.2514	1.7949	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.927	H1	C2	C6	119.527
C2	C3	C6	24.850	C2	C3	C10	72.552
C2	C6	C3	35.677	C2	C6	H4	49.610
C2	C6	H5	33.053	C3	C2	C6	119.474
C3	C6	H4	51.828	C3	C6	H5	66.134
C3	C10	H7	9.417	C3	C10	H8	65.027
C3	C10	H9	74.631	H4	C6	H5	74.502
C6	C3	C10	86.518	H7	C10	H8	58.617
H7	C10	H9	77.914	H8	C10	H9	60.269

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

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