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	hartrees
Energy at 0K	-35.887014
Energy at 298.15K	-35.893205
HF Energy	-35.537192
Nuclear repulsion energy	65.669275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3667	3544	14.32
2	A'	3266	3156	26.06
3	A'	3163	3056	35.97
4	A'	3158	3052	9.04
5	A'	3047	2944	27.99
6	A'	1687	1630	74.40
7	A'	1525	1473	13.17
8	A'	1482	1432	1.87
9	A'	1452	1403	19.11
10	A'	1354	1308	16.54
11	A'	1181	1141	140.07
12	A'	1034	999	37.63
13	A'	960	928	18.63
14	A'	819	791	24.70
15	A'	450	435	21.35
16	A'	388	375	2.17
17	A"	3144	3038	33.38
18	A"	1496	1445	11.36
19	A"	1102	1065	0.35
20	A"	743	718	110.79
21	A"	700	676	4.81
22	A"	456	440	28.01
23	A"	402	388	150.35
24	A"	164	159	2.78

Atom	x (Å)	y (Å)	z (Å)
C1	1.127	-0.935	0.000
C2	0.000	0.102	0.000
C3	0.145	1.485	0.000
O4	-1.280	-0.563	0.000
H5	2.114	-0.432	0.000
H6	1.048	-1.583	0.898
H7	1.048	-1.583	-0.898
H8	1.145	1.935	0.000
H9	-0.728	2.160	0.000
H10	-2.021	0.091	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5318	2.6122	2.4353	1.1077	1.1099	1.1099	2.8701	3.6083	3.3111
C2	1.5318		1.3906	1.4422	2.1809	2.1777	2.1777	2.1610	2.1827	2.0210
C3	2.6122	1.3906		2.4949	2.7492	3.3218	3.3218	1.0967	1.1028	2.5757
O4	2.4353	1.4422	2.4949		3.3964	2.6946	2.6946	3.4812	2.7786	0.9887
H5	1.1077	2.1809	2.7492	3.3964		1.8075	1.8075	2.5583	3.8468	4.1684
H6	1.1099	2.1777	3.3218	2.6946	1.8075		1.7956	3.6318	4.2386	3.6087
H7	1.1099	2.1777	3.3218	2.6946	1.8075	1.7956		3.6318	4.2386	3.6087
H8	2.8701	2.1610	1.0967	3.4812	2.5583	3.6318	3.6318		1.8860	3.6638
H9	3.6083	2.1827	1.1028	2.7786	3.8468	4.2386	4.2386	1.8860		2.4401
H10	3.3111	2.0210	2.5757	0.9887	4.1684	3.6087	3.6087	3.6638	2.4401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.652	C1	C2	O4	109.903
C2	C1	H5	110.400	C2	C1	H6	110.019
C2	C1	H7	110.019	C2	C3	H8	120.177
C2	C3	H9	121.755	C2	O4	H10	111.107
C3	C2	O4	123.445	H5	C1	H6	109.189
H5	C1	H7	109.189	H6	C1	H7	107.978
H8	C3	H9	118.067

All results from a given calculation for C₃H₆O (Acetone enol)

using model chemistry: MP2/CEP-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 C3H6O (Acetone enol)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₃H₆O (Acetone enol)