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	hartrees
Energy at 0K	-192.553937
Energy at 298.15K	-192.560345
HF Energy	-191.952022
Nuclear repulsion energy	119.802021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3815	3634	34.36
2	A'	3319	3162	6.34
3	A'	3217	3064	9.70
4	A'	3203	3050	4.33
5	A'	3092	2945	15.53
6	A'	1743	1660	113.18
7	A'	1489	1418	5.70
8	A'	1461	1391	1.91
9	A'	1422	1354	48.55
10	A'	1376	1311	1.41
11	A'	1226	1168	143.66
12	A'	1025	976	25.74
13	A'	981	935	5.54
14	A'	879	838	6.43
15	A'	473	450	18.89
16	A'	404	384	1.13
17	A"	3179	3028	10.14
18	A"	1469	1400	7.66
19	A"	1070	1019	0.27
20	A"	785	747	64.90
21	A"	730	695	1.64
22	A"	501	477	0.77
23	A"	450	429	105.86
24	A"	182	174	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.850	-1.141	0.000
C2	0.000	0.095	0.000
C3	0.476	1.359	0.000
O4	-1.331	-0.231	0.000
H5	1.919	-0.886	0.000
H6	0.623	-1.753	0.888
H7	0.623	-1.753	-0.888
H8	1.552	1.540	0.000
H9	-0.196	2.224	0.000
H10	-1.827	0.602	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4999	2.5278	2.3627	1.0990	1.1027	1.1027	2.7713	3.5234	3.1939
C2	1.4999		1.3507	1.3704	2.1550	2.1433	2.1433	2.1202	2.1377	1.8958
C3	2.5278	1.3507		2.4073	2.6687	3.2401	3.2401	1.0906	1.0949	2.4244
O4	2.3627	1.3704	2.4073		3.3149	2.6310	2.6310	3.3833	2.7051	0.9695
H5	1.0990	2.1550	2.6687	3.3149		1.7948	1.7948	2.4537	3.7606	4.0303
H6	1.1027	2.1433	3.2401	2.6310	1.7948		1.7769	3.5353	4.1566	3.5122
H7	1.1027	2.1433	3.2401	2.6310	1.7948	1.7769		3.5353	4.1566	3.5122
H8	2.7713	2.1202	1.0906	3.3833	2.4537	3.5353	3.5353		1.8762	3.5064
H9	3.5234	2.1377	1.0949	2.7051	3.7606	4.1566	4.1566	1.8762		2.3006
H10	3.1939	1.8958	2.4244	0.9695	4.0303	3.5122	3.5122	3.5064	2.3006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.856	C1	C2	O4	110.722
C2	C1	H5	111.095	C2	C1	H6	109.938
C2	C1	H7	109.938	C2	C3	H8	120.182
C2	C3	H9	121.524	C2	O4	H10	106.986
C3	C2	O4	124.422	H5	C1	H6	109.217
H5	C1	H7	109.217	H6	C1	H7	107.353
H8	C3	H9	118.294

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

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

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