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	hartrees
Energy at 0K	-192.775580
Energy at 298.15K	-192.782033
HF Energy	-192.010067
Nuclear repulsion energy	120.776437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3941	3941	42.31
2	A'	3298	3298	6.49
3	A'	3195	3195	2.98
4	A'	3190	3190	12.67
5	A'	3085	3085	13.44
6	A'	1761	1761	144.45
7	A'	1517	1517	8.08
8	A'	1480	1480	0.71
9	A'	1440	1440	43.75
10	A'	1389	1389	13.69
11	A'	1236	1236	145.89
12	A'	1041	1041	32.38
13	A'	998	998	10.66
14	A'	880	880	6.12
15	A'	485	485	18.59
16	A'	411	411	1.58
17	A"	3151	3151	9.32
18	A"	1500	1500	7.39
19	A"	1084	1084	0.00
20	A"	836	836	63.78
21	A"	743	743	0.46
22	A"	507	507	1.37
23	A"	420	420	103.31
24	A"	191	191	1.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.898	-1.098	0.000
C2	0.000	0.096	0.000
C3	0.407	1.365	0.000
O4	-1.310	-0.280	0.000
H5	1.941	-0.797	0.000
H6	0.702	-1.712	0.879
H7	0.702	-1.712	-0.879
H8	1.460	1.596	0.000
H9	-0.295	2.188	0.000
H10	-1.863	0.499	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4943	2.5118	2.3541	1.0859	1.0897	1.0897	2.7526	3.4957	3.1895
C2	1.4943		1.3327	1.3628	2.1370	2.1293	2.1293	2.0930	2.1121	1.9059
C3	2.5118	1.3327		2.3783	2.6512	3.2135	3.2135	1.0773	1.0815	2.4298
O4	2.3541	1.3628	2.3783		3.2917	2.6205	2.6205	3.3453	2.6687	0.9560
H5	1.0859	2.1370	2.6512	3.2917		1.7734	1.7734	2.4416	3.7296	4.0189
H6	1.0897	2.1293	3.2135	2.6205	1.7734		1.7581	3.5057	4.1196	3.4983
H7	1.0897	2.1293	3.2135	2.6205	1.7734	1.7581		3.5057	4.1196	3.4983
H8	2.7526	2.0930	1.0773	3.3453	2.4416	3.5057	3.5057		1.8513	3.4989
H9	3.4957	2.1121	1.0815	2.6687	3.7296	4.1196	4.1196	1.8513		2.3044
H10	3.1895	1.9059	2.4298	0.9560	4.0189	3.4983	3.4983	3.4989	2.3044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.275	C1	C2	O4	110.877
C2	C1	H5	110.836	C2	C1	H6	109.997
C2	C1	H7	109.997	C2	C3	H8	120.192
C2	C3	H9	121.717	C2	O4	H10	109.308
C3	C2	O4	123.848	H5	C1	H6	109.195
H5	C1	H7	109.195	H6	C1	H7	107.554
H8	C3	H9	118.091

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

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

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