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	hartrees
Energy at 0K	-192.546291
Energy at 298.15K	-192.552704
HF Energy	-191.945927
Nuclear repulsion energy	120.306111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3864	3618	26.64
2	A'	3364	3150	7.96
3	A'	3253	3047	8.28
4	A'	3252	3045	7.93
5	A'	3136	2937	12.93
6	A'	1768	1655	96.70
7	A'	1553	1454	5.97
8	A'	1503	1407	1.05
9	A'	1463	1370	34.78
10	A'	1404	1315	9.90
11	A'	1231	1153	146.36
12	A'	1052	985	30.35
13	A'	1001	937	8.80
14	A'	885	829	7.07
15	A'	482	451	19.16
16	A'	410	384	1.32
17	A"	3222	3018	12.09
18	A"	1531	1434	6.13
19	A"	1104	1034	0.34
20	A"	775	726	64.30
21	A"	741	694	6.65
22	A"	494	462	2.30
23	A"	441	413	120.81
24	A"	184	172	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.927	-1.073	0.000
C2	0.000	0.097	0.000
C3	0.374	1.384	0.000
O4	-1.308	-0.327	0.000
H5	1.963	-0.745	0.000
H6	0.748	-1.691	0.879
H7	0.748	-1.691	-0.879
H8	1.419	1.647	0.000
H9	-0.349	2.189	0.000
H10	-1.877	0.455	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4937	2.5194	2.3567	1.0866	1.0894	1.0894	2.7642	3.5029	3.1936
C2	1.4937		1.3402	1.3747	2.1366	2.1287	2.1287	2.1007	2.1201	1.9105
C3	2.5194	1.3402		2.3991	2.6574	3.2204	3.2204	1.0771	1.0813	2.4353
O4	2.3567	1.3747	2.3991		3.2978	2.6193	2.6193	3.3656	2.6919	0.9665
H5	1.0866	2.1366	2.6574	3.2978		1.7733	1.7733	2.4533	3.7355	4.0233
H6	1.0894	2.1287	3.2204	2.6193	1.7733		1.7586	3.5162	4.1265	3.5024
H7	1.0894	2.1287	3.2204	2.6193	1.7733	1.7586		3.5162	4.1265	3.5024
H8	2.7642	2.1007	1.0771	3.3656	2.4533	3.5162	3.5162		1.8485	3.5045
H9	3.5029	2.1201	1.0813	2.6919	3.7355	4.1265	4.1265	1.8485		2.3114
H10	3.1936	1.9105	2.4353	0.9665	4.0233	3.5024	3.5024	3.5045	2.3114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.411	C1	C2	O4	110.418
C2	C1	H5	110.809	C2	C1	H6	110.003
C2	C1	H7	110.003	C2	C3	H8	120.303
C2	C3	H9	121.857	C2	O4	H10	108.110
C3	C2	O4	124.171	H5	C1	H6	109.162
H5	C1	H7	109.162	H6	C1	H7	107.636
H8	C3	H9	117.841

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)