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	hartrees
Energy at 0K	-192.564378
Energy at 298.15K	-192.570803
HF Energy	-191.946105
Nuclear repulsion energy	120.434458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3866	3612	26.87
2	A'	3367	3147	7.81
3	A'	3258	3044	9.88
4	A'	3255	3041	6.04
5	A'	3139	2933	12.77
6	A'	1771	1655	97.52
7	A'	1555	1453	6.04
8	A'	1505	1406	1.17
9	A'	1466	1369	35.32
10	A'	1406	1314	9.95
11	A'	1232	1151	146.82
12	A'	1053	984	30.35
13	A'	1003	937	8.65
14	A'	887	828	6.99
15	A'	483	451	19.17
16	A'	411	384	1.33
17	A"	3226	3015	11.82
18	A"	1534	1433	6.26
19	A"	1105	1033	0.40
20	A"	781	729	65.42
21	A"	743	695	5.95
22	A"	497	465	2.25
23	A"	443	414	120.84
24	A"	185	173	1.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.925	-1.073	0.000
C2	0.000	0.097	0.000
C3	0.376	1.382	0.000
O4	-1.307	-0.324	0.000
H5	1.960	-0.747	0.000
H6	0.745	-1.690	0.878
H7	0.745	-1.690	-0.878
H8	1.420	1.643	0.000
H9	-0.345	2.187	0.000
H10	-1.875	0.456	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4920	2.5163	2.3541	1.0854	1.0883	1.0883	2.7608	3.4991	3.1908
C2	1.4920		1.3387	1.3732	2.1346	2.1263	2.1263	2.0986	2.1181	1.9092
C3	2.5163	1.3387		2.3966	2.6545	3.2167	3.2167	1.0761	1.0802	2.4338
O4	2.3541	1.3732	2.3966		3.2944	2.6163	2.6163	3.3622	2.6897	0.9659
H5	1.0854	2.1346	2.6545	3.2944		1.7714	1.7714	2.4505	3.7316	4.0200
H6	1.0883	2.1263	3.2167	2.6163	1.7714		1.7567	3.5121	4.1221	3.4990
H7	1.0883	2.1263	3.2167	2.6163	1.7714	1.7567		3.5121	4.1221	3.4990
H8	2.7608	2.0986	1.0761	3.3622	2.4505	3.5121	3.5121		1.8466	3.5020
H9	3.4991	2.1181	1.0802	2.6897	3.7316	4.1221	4.1221	1.8466		2.3104
H10	3.1908	1.9092	2.4338	0.9659	4.0200	3.4990	3.4990	3.5020	2.3104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.388	C1	C2	O4	110.422
C2	C1	H5	110.836	C2	C1	H6	109.998
C2	C1	H7	109.998	C2	C3	H8	120.306
C2	C3	H9	121.874	C2	O4	H10	108.158
C3	C2	O4	124.190	H5	C1	H6	109.158
H5	C1	H7	109.158	H6	C1	H7	107.625
H8	C3	H9	117.819

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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