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	hartrees
Energy at 0K	-192.732228
Energy at 298.15K	-192.738634
HF Energy	-191.989484
Nuclear repulsion energy	120.497429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3956	3956	31.38
2	A'	3306	3306	9.17
3	A'	3203	3203	4.23
4	A'	3198	3198	15.79
5	A'	3094	3094	15.63
6	A'	1775	1775	126.77
7	A'	1519	1519	6.34
8	A'	1487	1487	0.52
9	A'	1450	1450	45.84
10	A'	1404	1404	3.63
11	A'	1257	1257	154.31
12	A'	1046	1046	27.17
13	A'	998	998	9.70
14	A'	884	884	5.94
15	A'	485	485	20.13
16	A'	411	411	1.11
17	A"	3161	3161	14.64
18	A"	1497	1497	7.59
19	A"	1090	1090	0.04
20	A"	792	792	68.22
21	A"	739	739	2.63
22	A"	498	498	0.26
23	A"	403	403	112.31
24	A"	183	183	2.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.859	-1.132	0.000
C2	0.000	0.096	0.000
C3	0.459	1.352	0.000
O4	-1.323	-0.235	0.000
H5	1.918	-0.869	0.000
H6	0.638	-1.738	0.883
H7	0.638	-1.738	-0.883
H8	1.522	1.547	0.000
H9	-0.212	2.205	0.000
H10	-1.832	0.575	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4992	2.5161	2.3596	1.0905	1.0938	1.0938	2.7603	3.5045	3.1867
C2	1.4992		1.3370	1.3639	2.1471	2.1338	2.1338	2.1031	2.1188	1.8932
C3	2.5161	1.3370		2.3865	2.6572	3.2189	3.2189	1.0808	1.0854	2.4194
O4	2.3596	1.3639	2.3865		3.3022	2.6242	2.6242	3.3576	2.6804	0.9563
H5	1.0905	2.1471	2.6572	3.3022		1.7810	1.7810	2.4488	3.7397	4.0179
H6	1.0938	2.1338	3.2189	2.6242	1.7810		1.7666	3.5152	4.1290	3.4972
H7	1.0938	2.1338	3.2189	2.6242	1.7810	1.7666		3.5152	4.1290	3.4972
H8	2.7603	2.1031	1.0808	3.3576	2.4488	3.5152	3.5152		1.8550	3.4923
H9	3.5045	2.1188	1.0854	2.6804	3.7397	4.1290	4.1290	1.8550		2.2975
H10	3.1867	1.8932	2.4194	0.9563	4.0179	3.4972	3.4972	3.4923	2.2975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.932	C1	C2	O4	110.909
C2	C1	H5	111.026	C2	C1	H6	109.765
C2	C1	H7	109.765	C2	C3	H8	120.514
C2	C3	H9	121.667	C2	O4	H10	108.078
C3	C2	O4	124.158	H5	C1	H6	109.251
H5	C1	H7	109.251	H6	C1	H7	107.718
H8	C3	H9	117.819

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

using model chemistry: MP3=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: MP3=FULL/6-311G**

States and conformations

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