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	hartrees
Energy at 0K	-192.656529
Energy at 298.15K	-192.662967
HF Energy	-191.959290
Nuclear repulsion energy	120.620598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3849	3635	36.05
2	A'	3335	3150	3.45
3	A'	3230	3050	6.21
4	A'	3224	3045	3.86
5	A'	3111	2938	8.96
6	A'	1746	1649	106.69
7	A'	1519	1434	7.57
8	A'	1475	1393	0.61
9	A'	1433	1354	38.91
10	A'	1392	1314	3.59
11	A'	1224	1156	142.41
12	A'	1036	978	27.31
13	A'	992	937	5.87
14	A'	880	831	5.34
15	A'	479	453	18.07
16	A'	403	381	1.31
17	A"	3192	3015	6.31
18	A"	1499	1416	6.99
19	A"	1080	1020	0.63
20	A"	817	772	60.93
21	A"	746	704	1.05
22	A"	509	481	1.47
23	A"	450	425	104.21
24	A"	185	175	1.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-1.107	0.000
C2	0.000	0.098	0.000
C3	0.426	1.365	0.000
O4	-1.314	-0.273	0.000
H5	1.932	-0.821	0.000
H6	0.677	-1.720	0.879
H7	0.677	-1.720	-0.879
H8	1.483	1.582	0.000
H9	-0.263	2.200	0.000
H10	-1.847	0.529	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4930	2.5131	2.3490	1.0881	1.0917	1.0917	2.7547	3.4991	3.1817
C2	1.4930		1.3366	1.3651	2.1395	2.1301	2.1301	2.0977	2.1182	1.8964
C3	2.5131	1.3366		2.3893	2.6542	3.2175	3.2175	1.0785	1.0826	2.4215
O4	2.3490	1.3651	2.3893		3.2919	2.6140	2.6140	3.3555	2.6866	0.9629
H5	1.0881	2.1395	2.6542	3.2919		1.7766	1.7766	2.4445	3.7339	4.0128
H6	1.0917	2.1301	3.2175	2.6140	1.7766		1.7590	3.5106	4.1258	3.4935
H7	1.0917	2.1301	3.2175	2.6140	1.7766	1.7590		3.5106	4.1258	3.4935
H8	2.7547	2.0977	1.0785	3.3555	2.4445	3.5106	3.5106		1.8516	3.4917
H9	3.4991	2.1182	1.0826	2.6866	3.7339	4.1258	4.1258	1.8516		2.3020
H10	3.1817	1.8964	2.4215	0.9629	4.0128	3.4935	3.4935	3.4917	2.3020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.188	C1	C2	O4	110.466
C2	C1	H5	110.995	C2	C1	H6	110.028
C2	C1	H7	110.028	C2	C3	H8	120.208
C2	C3	H9	121.882	C2	O4	H10	107.848
C3	C2	O4	124.346	H5	C1	H6	109.183
H5	C1	H7	109.183	H6	C1	H7	107.344
H8	C3	H9	117.910

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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