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	hartrees
Energy at 0K	-192.594921
Energy at 298.15K	-192.601323
HF Energy	-191.952047
Nuclear repulsion energy	119.659283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3843	3641	28.06
2	A'	3286	3113	9.12
3	A'	3182	3014	10.18
4	A'	3180	3012	8.57
5	A'	3070	2908	18.86
6	A'	1762	1669	119.43
7	A'	1492	1413	3.89
8	A'	1470	1392	0.79
9	A'	1429	1354	46.60
10	A'	1386	1313	1.15
11	A'	1244	1178	143.60
12	A'	1030	976	25.29
13	A'	988	936	7.00
14	A'	876	830	6.74
15	A'	475	450	18.67
16	A'	404	382	1.10
17	A"	3143	2978	14.64
18	A"	1472	1395	6.41
19	A"	1074	1017	0.18
20	A"	803	760	59.60
21	A"	729	691	2.59
22	A"	501	475	0.32
23	A"	434	411	107.67
24	A"	181	171	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.859	-1.139	0.000
C2	0.000	0.097	0.000
C3	0.467	1.362	0.000
O4	-1.331	-0.237	0.000
H5	1.929	-0.879	0.000
H6	0.634	-1.753	0.891
H7	0.634	-1.753	-0.891
H8	1.542	1.555	0.000
H9	-0.210	2.225	0.000
H10	-1.837	0.587	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5051	2.5320	2.3681	1.1011	1.1049	1.1049	2.7794	3.5301	3.2008
C2	1.5051		1.3487	1.3720	2.1613	2.1491	2.1491	2.1224	2.1387	1.9009
C3	2.5320	1.3487		2.4059	2.6755	3.2447	3.2447	1.0927	1.0968	2.4302
O4	2.3681	1.3720	2.4059		3.3219	2.6369	2.6369	3.3860	2.7052	0.9671
H5	1.1011	2.1613	2.6755	3.3219		1.7982	1.7982	2.4640	3.7694	4.0404
H6	1.1049	2.1491	3.2447	2.6369	1.7982		1.7813	3.5443	4.1635	3.5179
H7	1.1049	2.1491	3.2447	2.6369	1.7982	1.7813		3.5443	4.1635	3.5179
H8	2.7794	2.1224	1.0927	3.3860	2.4640	3.5443	3.5443		1.8763	3.5147
H9	3.5301	2.1387	1.0968	2.7052	3.7694	4.1635	4.1635	1.8763		2.3083
H10	3.2008	1.9009	2.4302	0.9671	4.0404	3.5179	3.5179	3.5147	2.3083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.963	C1	C2	O4	110.705
C2	C1	H5	111.101	C2	C1	H6	109.908
C2	C1	H7	109.908	C2	C3	H8	120.401
C2	C3	H9	121.641	C2	O4	H10	107.454
C3	C2	O4	124.332	H5	C1	H6	109.206
H5	C1	H7	109.206	H6	C1	H7	107.431
H8	C3	H9	117.958

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

using model chemistry: CCSD/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 C3H6O (Acetone enol)

using model chemistry: CCSD/cc-pVDZ

States and conformations

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