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	hartrees
Energy at 0K	-192.671956
Energy at 298.15K	-192.678216
HF Energy	-192.006192
Nuclear repulsion energy	120.478282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3893	3690	29.12
2	A'	3300	3129	8.75
3	A'	3200	3033	3.88
4	A'	3183	3018	16.73
5	A'	3082	2922	17.06
6	A'	1770	1678	115.02
7	A'	1525	1446	6.58
8	A'	1490	1413	0.41
9	A'	1452	1376	31.15
10	A'	1392	1320	12.63
11	A'	1244	1179	145.86
12	A'	1047	993	31.10
13	A'	994	943	15.55
14	A'	875	829	8.26
15	A'	486	460	19.30
16	A'	413	392	1.27
17	A"	3149	2985	14.08
18	A"	1491	1413	7.03
19	A"	1086	1029	0.51
20	A"	724	686	3.27
21	A"	699	663	64.28
22	A"	446	423	2.27
23	A"	367	348	109.69
24	A"	168	159	3.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.916	-1.085	0.000
C2	0.000	0.098	0.000
C3	0.389	1.372	0.000
O4	-1.312	-0.303	0.000
H5	1.957	-0.766	0.000
H6	0.732	-1.701	0.882
H7	0.732	-1.701	-0.882
H8	1.438	1.622	0.000
H9	-0.324	2.187	0.000
H10	-1.871	0.478	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4961	2.5128	2.3611	1.0884	1.0915	1.0915	2.7571	3.4990	3.1956
C2	1.4961		1.3320	1.3718	2.1387	2.1328	2.1328	2.0957	2.1140	1.9093
C3	2.5128	1.3320		2.3872	2.6508	3.2150	3.2150	1.0787	1.0828	2.4302
O4	2.3611	1.3718	2.3872		3.3010	2.6283	2.6283	3.3571	2.6791	0.9610
H5	1.0884	2.1387	2.6508	3.3010		1.7756	1.7756	2.4435	3.7307	4.0247
H6	1.0915	2.1328	3.2150	2.6283	1.7756		1.7647	3.5099	4.1239	3.5074
H7	1.0915	2.1328	3.2150	2.6283	1.7756	1.7647		3.5099	4.1239	3.5074
H8	2.7571	2.0957	1.0787	3.3571	2.4435	3.5099	3.5099		1.8502	3.5014
H9	3.4990	2.1140	1.0828	2.6791	3.7307	4.1239	4.1239	1.8502		2.3051
H10	3.1956	1.9093	2.4302	0.9610	4.0247	3.5074	3.5074	3.5014	2.3051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.265	C1	C2	O4	110.755
C2	C1	H5	110.694	C2	C1	H6	110.036
C2	C1	H7	110.036	C2	C3	H8	120.401
C2	C3	H9	121.856	C2	O4	H10	108.585
C3	C2	O4	123.980	H5	C1	H6	109.076
H5	C1	H7	109.076	H6	C1	H7	107.866
H8	C3	H9	117.744

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

using model chemistry: CCD/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: CCD/TZVP

States and conformations

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