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	hartrees
Energy at 0K	-192.773545
Energy at 298.15K	-192.779694
HF Energy	-192.005406
Nuclear repulsion energy	120.126724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3826	3658
2	A'	3270	3126
3	A'	3168	3029
4	A'	3156	3017
5	A'	3054	2919
6	A'	1721	1645
7	A'	1511	1444
8	A'	1472	1408
9	A'	1434	1371
10	A'	1373	1312
11	A'	1223	1170
12	A'	1033	988
13	A'	980	937
14	A'	861	823
15	A'	478	456
16	A'	406	388
17	A"	3121	2983
18	A"	1475	1410
19	A"	1071	1024
20	A"	704	673
21	A"	644	616
22	A"	419	400
23	A"	360	344
24	A"	159	152

Atom	x (Å)	y (Å)	z (Å)
C1	0.927	-1.080	0.000
C2	0.000	0.096	0.000
C3	0.379	1.381	0.000
O4	-1.313	-0.317	0.000
H5	1.966	-0.751	0.000
H6	0.747	-1.698	0.884
H7	0.747	-1.698	-0.884
H8	1.427	1.642	0.000
H9	-0.344	2.190	0.000
H10	-1.875	0.467	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4979	2.5218	2.3662	1.0898	1.0929	1.0929	2.7676	3.5083	3.2007
C2	1.4979		1.3396	1.3766	2.1408	2.1351	2.1351	2.1036	2.1216	1.9112
C3	2.5218	1.3396		2.3973	2.6582	3.2246	3.2246	1.0803	1.0844	2.4319
O4	2.3662	1.3766	2.3973		3.3073	2.6328	2.6328	3.3684	2.6881	0.9651
H5	1.0898	2.1408	2.6582	3.3073		1.7781	1.7781	2.4529	3.7395	4.0293
H6	1.0929	2.1351	3.2246	2.6328	1.7781		1.7672	3.5209	4.1336	3.5135
H7	1.0929	2.1351	3.2246	2.6328	1.7781	1.7672		3.5209	4.1336	3.5135
H8	2.7676	2.1036	1.0803	3.3684	2.4529	3.5209	3.5209		1.8537	3.5046
H9	3.5083	2.1216	1.0844	2.6881	3.7395	4.1336	4.1336	1.8537		2.3047
H10	3.2007	1.9112	2.4319	0.9651	4.0293	3.5135	3.5135	3.5046	2.3047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.344	C1	C2	O4	110.741
C2	C1	H5	110.655	C2	C1	H6	110.018
C2	C1	H7	110.018	C2	C3	H8	120.383
C2	C3	H9	121.796	C2	O4	H10	108.119
C3	C2	O4	123.915	H5	C1	H6	109.099
H5	C1	H7	109.099	H6	C1	H7	107.896
H8	C3	H9	117.821

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

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

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