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	hartrees
Energy at 0K	-192.531981
Energy at 298.15K	-192.538372
HF Energy	-191.930288
Nuclear repulsion energy	119.955340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3546	20.78
2	A'	3283	3100	9.99
3	A'	3188	3011	4.76
4	A'	3177	3000	15.43
5	A'	3079	2908	14.59
6	A'	1780	1681	106.59
7	A'	1545	1459	6.86
8	A'	1501	1418	0.62
9	A'	1463	1381	34.10
10	A'	1411	1333	6.74
11	A'	1252	1182	155.80
12	A'	1053	995	24.66
13	A'	1001	945	10.37
14	A'	882	833	7.61
15	A'	484	457	18.98
16	A'	410	388	1.59
17	A"	3146	2971	14.68
18	A"	1523	1438	6.95
19	A"	1103	1042	0.75
20	A"	795	751	69.83
21	A"	735	694	6.14
22	A"	496	468	1.17
23	A"	428	404	128.72
24	A"	181	171	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.945	-1.065	0.000
C2	0.000	0.099	0.000
C3	0.353	1.391	0.000
O4	-1.305	-0.344	0.000
H5	1.984	-0.723	0.000
H6	0.772	-1.689	0.885
H7	0.772	-1.689	-0.885
H8	1.398	1.679	0.000
H9	-0.383	2.193	0.000
H10	-1.892	0.432	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4989	2.5258	2.3621	1.0938	1.0967	1.0967	2.7806	3.5178	3.2074
C2	1.4989		1.3392	1.3775	2.1473	2.1388	2.1388	2.1098	2.1286	1.9211
C3	2.5258	1.3392		2.3989	2.6698	3.2316	3.2316	1.0844	1.0886	2.4412
O4	2.3621	1.3775	2.3989		3.3102	2.6274	2.6274	3.3756	2.6984	0.9728
H5	1.0938	2.1473	2.6698	3.3102		1.7849	1.7849	2.4719	3.7556	4.0443
H6	1.0967	2.1388	3.2316	2.6274	1.7849		1.7698	3.5379	4.1454	3.5179
H7	1.0967	2.1388	3.2316	2.6274	1.7849	1.7698		3.5379	4.1454	3.5179
H8	2.7806	2.1098	1.0844	3.3756	2.4719	3.5379	3.5379		1.8544	3.5188
H9	3.5178	2.1286	1.0886	2.6984	3.7556	4.1454	4.1454	1.8544		2.3189
H10	3.2074	1.9211	2.4412	0.9728	4.0443	3.5179	3.5179	3.5188	2.3189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.647	C1	C2	O4	110.343
C2	C1	H5	110.868	C2	C1	H6	110.015
C2	C1	H7	110.015	C2	C3	H8	120.671
C2	C3	H9	122.171	C2	O4	H10	108.423
C3	C2	O4	124.010	H5	C1	H6	109.145
H5	C1	H7	109.145	H6	C1	H7	107.585
H8	C3	H9	117.158

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

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

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