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	hartrees
Energy at 0K	-192.618367
Energy at 298.15K	-192.624616
HF Energy	-191.952376
Nuclear repulsion energy	119.751418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3848	3692
2	A'	3310	3176
3	A'	3206	3077
4	A'	3197	3068
5	A'	3091	2966
6	A'	1733	1663
7	A'	1533	1471
8	A'	1486	1426
9	A'	1447	1388
10	A'	1375	1320
11	A'	1220	1170
12	A'	1040	998
13	A'	987	947
14	A'	866	831
15	A'	474	455
16	A'	404	388
17	A"	3165	3037
18	A"	1506	1446
19	A"	1080	1036
20	A"	740	710
21	A"	710	681
22	A"	464	445
23	A"	373	358
24	A"	168	161

Atom	x (Å)	y (Å)	z (Å)
C1	0.973	-1.045	0.000
C2	0.000	0.097	0.000
C3	0.320	1.405	0.000
O4	-1.300	-0.375	0.000
H5	1.998	-0.674	0.000
H6	0.816	-1.669	0.883
H7	0.816	-1.669	-0.883
H8	1.356	1.712	0.000
H9	-0.436	2.181	0.000
H10	-1.907	0.378	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4999	2.5351	2.3702	1.0897	1.0926	1.0926	2.7832	3.5205	3.2125
C2	1.4999		1.3469	1.3833	2.1414	2.1359	2.1359	2.1092	2.1299	1.9279
C3	2.5351	1.3469		2.4072	2.6715	3.2360	3.2360	1.0805	1.0843	2.4530
O4	2.3702	1.3833	2.4072		3.3119	2.6334	2.6334	3.3783	2.6982	0.9669
H5	1.0897	2.1414	2.6715	3.3119		1.7789	1.7789	2.4709	3.7523	4.0444
H6	1.0926	2.1359	3.2360	2.6334	1.7789		1.7665	3.5354	4.1438	3.5194
H7	1.0926	2.1359	3.2360	2.6334	1.7789	1.7665		3.5354	4.1438	3.5194
H8	2.7832	2.1092	1.0805	3.3783	2.4709	3.5354	3.5354		1.8532	3.5257
H9	3.5205	2.1299	1.0843	2.6982	3.7523	4.1438	4.1438	1.8532		2.3271
H10	3.2125	1.9279	2.4530	0.9669	4.0444	3.5194	3.5194	3.5257	2.3271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.791	C1	C2	O4	110.522
C2	C1	H5	110.573	C2	C1	H6	109.963
C2	C1	H7	109.963	C2	C3	H8	120.269
C2	C3	H9	121.975	C2	O4	H10	108.945
C3	C2	O4	123.687	H5	C1	H6	109.206
H5	C1	H7	109.206	H6	C1	H7	107.878
H8	C3	H9	117.756

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

using model chemistry: CCSD(T)/6-31+G**

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: CCSD(T)/6-31+G**

States and conformations

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