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	hartrees
Energy at 0K	-155.513499
Energy at 298.15K
HF Energy	-154.923639
Nuclear repulsion energy	109.017886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3396	3158	1.13
2	A'	3224	2998	16.06
3	A'	3151	2930	72.42
4	A'	3137	2917	22.04
5	A'	1945	1808	14.56
6	A'	1592	1481	4.69
7	A'	1547	1439	8.41
8	A'	1470	1367	0.02
9	A'	1256	1168	4.01
10	A'	1148	1067	6.23
11	A'	1133	1054	32.42
12	A'	1028	955	6.68
13	A'	995	925	14.70
14	A'	716	666	0.67
15	A'	336	313	1.60
16	A"	3216	2990	43.80
17	A"	3201	2976	17.31
18	A"	1545	1436	7.81
19	A"	1172	1090	1.88
20	A"	1104	1027	0.43
21	A"	1035	963	1.88
22	A"	789	733	34.48
23	A"	317	295	12.20
24	A"	164	152	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.175	0.000
C2	-0.022	-1.322	0.000
C3	1.151	-0.389	0.000
C4	-0.859	1.371	0.000
H5	-0.283	-1.852	0.905
H6	-0.283	-1.852	-0.905
H7	2.216	-0.323	0.000
H8	-0.269	2.278	0.000
H9	-1.502	1.371	-0.873
H10	-1.502	1.371	0.873

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4971	1.2819	1.4728	2.2381	2.2381	2.2711	2.1204	2.1092	2.1092
C2	1.4971		1.4987	2.8204	1.0811	1.0811	2.4503	3.6087	3.1947	3.1947
C3	1.2819	1.4987		2.6720	2.2398	2.2398	1.0666	3.0217	3.3012	3.3012
C4	1.4728	2.8204	2.6720		3.3974	3.3974	3.5109	1.0822	1.0842	1.0842
H5	2.2381	1.0811	2.2398	3.3974		1.8106	3.0659	4.2286	3.8781	3.4463
H6	2.2381	1.0811	2.2398	3.3974	1.8106		3.0659	4.2286	3.4463	3.8781
H7	2.2711	2.4503	1.0666	3.5109	3.0659	3.0659		3.5974	4.1776	4.1776
H8	2.1204	3.6087	3.0217	1.0822	4.2286	4.2286	3.5974		1.7621	1.7621
H9	2.1092	3.1947	3.3012	1.0842	3.8781	3.4463	4.1776	1.7621		1.7469
H10	2.1092	3.1947	3.3012	1.0842	3.4463	3.8781	4.1776	1.7621	1.7469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.666	H1	C2	C6	119.597
C2	C3	C6	24.810	C2	C3	C10	72.726
C2	C6	C3	35.569	C2	C6	H4	49.647
C2	C6	H5	33.137	C3	C2	C6	119.621
C3	C6	H4	51.763	C3	C6	H5	66.160
C3	C10	H7	9.390	C3	C10	H8	65.242
C3	C10	H9	74.658	H4	C6	H5	74.546
C6	C3	C10	86.607	H7	C10	H8	58.849
H7	C10	H9	77.932	H8	C10	H9	60.287

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

using model chemistry: CISD/cc-pVTZ

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: CISD/cc-pVTZ

States and conformations

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