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	hartrees
Energy at 0K	-192.447161
Energy at 298.15K	-192.453681
HF Energy	-191.931815
Nuclear repulsion energy	120.755831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3912	3613	34.58
2	A'	3372	3115	9.42
3	A'	3276	3026	4.34
4	A'	3265	3016	15.18
5	A'	3163	2922	14.21
6	A'	1843	1703	137.01
7	A'	1583	1462	6.72
8	A'	1543	1426	0.97
9	A'	1505	1390	40.67
10	A'	1447	1336	10.70
11	A'	1285	1187	166.55
12	A'	1084	1001	27.97
13	A'	1032	953	10.27
14	A'	908	839	6.57
15	A'	500	462	20.04
16	A'	422	390	1.82
17	A"	3232	2985	13.98
18	A"	1562	1443	7.14
19	A"	1136	1049	1.28
20	A"	857	792	80.48
21	A"	766	708	5.08
22	A"	524	484	0.83
23	A"	439	406	135.70
24	A"	190	175	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.923	-1.075	0.000
C2	0.000	0.099	0.000
C3	0.373	1.374	0.000
O4	-1.301	-0.317	0.000
H5	1.961	-0.755	0.000
H6	0.739	-1.692	0.879
H7	0.739	-1.692	-0.879
H8	1.417	1.642	0.000
H9	-0.345	2.183	0.000
H10	-1.879	0.454	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4937	2.5102	2.3499	1.0867	1.0898	1.0898	2.7618	3.4963	3.1916
C2	1.4937		1.3283	1.3660	2.1392	2.1284	2.1284	2.0946	2.1123	1.9117
C3	2.5102	1.3283		2.3794	2.6560	3.2111	3.2111	1.0775	1.0816	2.4325
O4	2.3499	1.3660	2.3794		3.2918	2.6132	2.6132	3.3501	2.6766	0.9627
H5	1.0867	2.1392	2.6560	3.2918		1.7737	1.7737	2.4579	3.7349	4.0256
H6	1.0898	2.1284	3.2111	2.6132	1.7737		1.7581	3.5145	4.1194	3.4975
H7	1.0898	2.1284	3.2111	2.6132	1.7737	1.7581		3.5145	4.1194	3.4975
H8	2.7618	2.0946	1.0775	3.3501	2.4579	3.5145	3.5145		1.8427	3.5030
H9	3.4963	2.1123	1.0816	2.6766	3.7349	4.1194	4.1194	1.8427		2.3116
H10	3.1916	1.9117	2.4325	0.9627	4.0256	3.4975	3.4975	3.5030	2.3116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.526	C1	C2	O4	110.436
C2	C1	H5	111.012	C2	C1	H6	109.954
C2	C1	H7	109.954	C2	C3	H8	120.715
C2	C3	H9	122.111	C2	O4	H10	109.128
C3	C2	O4	124.037	H5	C1	H6	109.158
H5	C1	H7	109.158	H6	C1	H7	107.531
H8	C3	H9	117.174

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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