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	hartrees
Energy at 0K	-192.494602
Energy at 298.15K	-192.501006
HF Energy	-191.930341
Nuclear repulsion energy	120.095238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3741	3528	28.65
2	A'	3328	3138	7.03
3	A'	3225	3041	5.28
4	A'	3223	3039	9.79
5	A'	3114	2937	11.13
6	A'	1764	1664	100.71
7	A'	1556	1467	8.77
8	A'	1503	1418	1.04
9	A'	1466	1382	33.53
10	A'	1409	1328	9.74
11	A'	1239	1168	153.92
12	A'	1054	994	27.58
13	A'	1000	943	9.35
14	A'	885	834	7.43
15	A'	483	456	19.04
16	A'	411	388	1.62
17	A"	3194	3012	10.36
18	A"	1535	1447	7.74
19	A"	1108	1045	0.78
20	A"	774	730	74.81
21	A"	739	697	6.21
22	A"	496	468	2.66
23	A"	446	421	126.34
24	A"	183	172	1.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.940	-1.065	0.000
C2	0.000	0.097	0.000
C3	0.358	1.390	0.000
O4	-1.304	-0.342	0.000
H5	1.976	-0.724	0.000
H6	0.766	-1.687	0.882
H7	0.766	-1.687	-0.882
H8	1.402	1.670	0.000
H9	-0.375	2.191	0.000
H10	-1.887	0.439	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4946	2.5225	2.3575	1.0911	1.0938	1.0938	2.7738	3.5113	3.2017
C2	1.4946		1.3408	1.3763	2.1405	2.1332	2.1332	2.1072	2.1270	1.9175
C3	2.5225	1.3408		2.4003	2.6627	3.2269	3.2269	1.0816	1.0859	2.4376
O4	2.3575	1.3763	2.4003		3.3029	2.6220	2.6220	3.3727	2.6983	0.9745
H5	1.0911	2.1405	2.6627	3.3029		1.7804	1.7804	2.4626	3.7457	4.0347
H6	1.0938	2.1332	3.2269	2.6220	1.7804		1.7650	3.5293	4.1379	3.5126
H7	1.0938	2.1332	3.2269	2.6220	1.7804	1.7650		3.5293	4.1379	3.5126
H8	2.7738	2.1072	1.0816	3.3727	2.4626	3.5293	3.5293		1.8521	3.5120
H9	3.5113	2.1270	1.0859	2.6983	3.7457	4.1379	4.1379	1.8521		2.3141
H10	3.2017	1.9175	2.4376	0.9745	4.0347	3.5126	3.5126	3.5120	2.3141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.568	C1	C2	O4	110.334
C2	C1	H5	110.791	C2	C1	H6	110.046
C2	C1	H7	110.046	C2	C3	H8	120.509
C2	C3	H9	122.089	C2	O4	H10	108.089
C3	C2	O4	124.098	H5	C1	H6	109.156
H5	C1	H7	109.156	H6	C1	H7	107.578
H8	C3	H9	117.403

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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