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	hartrees
Energy at 0K	-193.013328
Energy at 298.15K	-193.019744
HF Energy	-192.781601
Nuclear repulsion energy	120.453105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3843	3843	30.55
2	A'	3271	3271	9.63
3	A'	3169	3169	4.28
4	A'	3165	3165	16.45
5	A'	3062	3062	17.76
6	A'	1726	1726	139.86
7	A'	1508	1508	9.10
8	A'	1467	1467	0.92
9	A'	1428	1428	36.27
10	A'	1379	1379	10.46
11	A'	1221	1221	147.82
12	A'	1033	1033	31.22
13	A'	986	986	12.31
14	A'	870	870	5.54
15	A'	482	482	19.37
16	A'	411	411	1.23
17	A"	3122	3122	15.57
18	A"	1487	1487	8.91
19	A"	1083	1083	0.26
20	A"	793	793	73.86
21	A"	730	730	2.48
22	A"	501	501	0.09
23	A"	433	433	109.77
24	A"	183	183	1.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.895	-1.101	0.000
C2	0.000	0.097	0.000
C3	0.414	1.369	0.000
O4	-1.314	-0.282	0.000
H5	1.943	-0.807	0.000
H6	0.695	-1.716	0.881
H7	0.695	-1.716	-0.881
H8	1.468	1.602	0.000
H9	-0.285	2.197	0.000
H10	-1.858	0.511	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4956	2.5163	2.3559	1.0887	1.0926	1.0926	2.7631	3.5028	3.1905
C2	1.4956		1.3374	1.3677	2.1429	2.1323	2.1323	2.1023	2.1189	1.9038
C3	2.5163	1.3374		2.3901	2.6589	3.2203	3.2203	1.0795	1.0841	2.4288
O4	2.3559	1.3677	2.3901		3.2990	2.6209	2.6209	3.3602	2.6838	0.9622
H5	1.0887	2.1429	2.6589	3.2990		1.7775	1.7775	2.4548	3.7399	4.0232
H6	1.0926	2.1323	3.2203	2.6209	1.7775		1.7619	3.5186	4.1288	3.5010
H7	1.0926	2.1323	3.2203	2.6209	1.7775	1.7619		3.5186	4.1288	3.5010
H8	2.7631	2.1023	1.0795	3.3602	2.4548	3.5186	3.5186		1.8521	3.5006
H9	3.5028	2.1189	1.0841	2.6838	3.7399	4.1288	4.1288	1.8521		2.3051
H10	3.1905	1.9038	2.4288	0.9622	4.0232	3.5010	3.5010	3.5006	2.3051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.205	C1	C2	O4	110.649
C2	C1	H5	111.058	C2	C1	H6	109.969
C2	C1	H7	109.969	C2	C3	H8	120.510
C2	C3	H9	121.748	C2	O4	H10	108.334
C3	C2	O4	124.147	H5	C1	H6	109.151
H5	C1	H7	109.151	H6	C1	H7	107.464
H8	C3	H9	117.742

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

using model chemistry: B2PLYP=FULL/6-311G**

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: B2PLYP=FULL/6-311G**

States and conformations

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