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	hartrees
Energy at 0K	-192.749162
Energy at 298.15K	-192.755588
HF Energy	-192.009465
Nuclear repulsion energy	120.658262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3840	3622	42.81
2	A'	3301	3114	4.35
3	A'	3196	3016	7.70
4	A'	3190	3009	3.89
5	A'	3080	2906	11.86
6	A'	1723	1626	129.06
7	A'	1508	1423	10.67
8	A'	1462	1379	0.86
9	A'	1420	1340	38.89
10	A'	1366	1289	19.41
11	A'	1203	1135	136.31
12	A'	1029	970	34.89
13	A'	983	927	9.81
14	A'	874	824	7.13
15	A'	478	451	18.21
16	A'	408	385	1.44
17	A"	3158	2980	6.32
18	A"	1492	1408	8.14
19	A"	1073	1012	0.02
20	A"	811	765	65.22
21	A"	735	693	0.19
22	A"	499	471	1.55
23	A"	433	409	99.46
24	A"	191	180	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.919	-1.078	0.000
C2	0.000	0.095	0.000
C3	0.380	1.377	0.000
O4	-1.304	-0.313	0.000
H5	1.956	-0.755	0.000
H6	0.735	-1.695	0.879
H7	0.735	-1.695	-0.879
H8	1.429	1.627	0.000
H9	-0.341	2.184	0.000
H10	-1.874	0.464	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4898	2.5130	2.3508	1.0860	1.0896	1.0896	2.7523	3.4959	3.1894
C2	1.4898		1.3371	1.3666	2.1327	2.1253	2.1253	2.0946	2.1159	1.9095
C3	2.5130	1.3371		2.3861	2.6513	3.2147	3.2147	1.0776	1.0818	2.4318
O4	2.3508	1.3666	2.3861		3.2899	2.6156	2.6156	3.3513	2.6759	0.9630
H5	1.0860	2.1327	2.6513	3.2899		1.7734	1.7734	2.4401	3.7298	4.0187
H6	1.0896	2.1253	3.2147	2.6156	1.7734		1.7582	3.5053	4.1196	3.4982
H7	1.0896	2.1253	3.2147	2.6156	1.7734	1.7582		3.5053	4.1196	3.4982
H8	2.7523	2.0946	1.0776	3.3513	2.4401	3.5053	3.5053		1.8547	3.5009
H9	3.4959	2.1159	1.0818	2.6759	3.7298	4.1196	4.1196	1.8547		2.3036
H10	3.1894	1.9095	2.4318	0.9630	4.0187	3.4982	3.4982	3.5009	2.3036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.404	C1	C2	O4	110.699
C2	C1	H5	110.812	C2	C1	H6	109.997
C2	C1	H7	109.997	C2	C3	H8	119.937
C2	C3	H9	121.677	C2	O4	H10	108.867
C3	C2	O4	123.897	H5	C1	H6	109.199
H5	C1	H7	109.199	H6	C1	H7	107.569
H8	C3	H9	118.386

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

using model chemistry: MP2/6-311+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: MP2/6-311+G(3df,2p)

States and conformations

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