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	hartrees
Energy at 0K	-192.265211
Energy at 298.15K	-192.271470
HF Energy	-191.883392
Nuclear repulsion energy	117.424570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3639	3513	18.79
2	A'	3277	3163	15.68
3	A'	3158	3049	4.19
4	A'	3152	3043	23.66
5	A'	3035	2930	20.08
6	A'	1683	1625	84.58
7	A'	1539	1486	14.34
8	A'	1494	1443	3.89
9	A'	1464	1413	22.03
10	A'	1361	1313	13.26
11	A'	1190	1149	139.29
12	A'	1037	1001	33.25
13	A'	975	941	29.73
14	A'	820	792	23.33
15	A'	462	446	20.45
16	A'	396	382	2.59
17	A"	3131	3023	20.90
18	A"	1514	1461	10.76
19	A"	1111	1072	1.08
20	A"	806	778	113.62
21	A"	717	692	4.96
22	A"	466	450	5.68
23	A"	409	395	164.80
24	A"	165	159	3.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.138	-0.902	0.000
C2	0.000	0.105	0.000
C3	0.111	1.468	0.000
O4	-1.257	-0.582	0.000
H5	2.109	-0.383	0.000
H6	1.071	-1.547	0.893
H7	1.071	-1.547	-0.893
H8	1.095	1.937	0.000
H9	-0.764	2.125	0.000
H10	-2.016	0.047	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5197	2.5828	2.4161	1.1017	1.1034	1.1034	2.8393	3.5751	3.2937
C2	1.5197		1.3669	1.4328	2.1653	2.1621	2.1621	2.1336	2.1596	2.0171
C3	2.5828	1.3669		2.4643	2.7239	3.2875	3.2875	1.0898	1.0943	2.5578
O4	2.4161	1.4328	2.4643		3.3725	2.6738	2.6738	3.4460	2.7519	0.9860
H5	1.1017	2.1653	2.7239	3.3725		1.7973	1.7973	2.5322	3.8142	4.1481
H6	1.1034	2.1621	3.2875	2.6738	1.7973		1.7857	3.5965	4.2012	3.5875
H7	1.1034	2.1621	3.2875	2.6738	1.7973	1.7857		3.5965	4.2012	3.5875
H8	2.8393	2.1336	1.0898	3.4460	2.5322	3.5965	3.5965		1.8679	3.6397
H9	3.5751	2.1596	1.0943	2.7519	3.8142	4.2012	4.2012	1.8679		2.4263
H10	3.2937	2.0171	2.5578	0.9860	4.1481	3.5875	3.5875	3.6397	2.4263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.876	C1	C2	O4	109.804
C2	C1	H5	110.364	C2	C1	H6	110.016
C2	C1	H7	110.016	C2	C3	H8	120.147
C2	C3	H9	122.284	C2	O4	H10	111.675
C3	C2	O4	123.320	H5	C1	H6	109.183
H5	C1	H7	109.183	H6	C1	H7	108.036
H8	C3	H9	117.569

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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