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	hartrees
Energy at 0K	-192.677651
Energy at 298.15K	-192.684075
HF Energy	-191.973912
Nuclear repulsion energy	120.479614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3901	3901	20.52
2	A'	3293	3293	9.39
3	A'	3192	3192	3.70
4	A'	3190	3190	16.25
5	A'	3086	3086	14.62
6	A'	1777	1777	133.92
7	A'	1530	1530	8.75
8	A'	1500	1500	1.14
9	A'	1460	1460	47.88
10	A'	1416	1416	4.30
11	A'	1269	1269	173.09
12	A'	1054	1054	25.35
13	A'	1006	1006	9.56
14	A'	888	888	6.55
15	A'	491	491	20.15
16	A'	415	415	1.76
17	A"	3152	3152	13.84
18	A"	1509	1509	10.34
19	A"	1093	1093	0.26
20	A"	784	784	85.16
21	A"	739	739	2.82
22	A"	502	502	0.70
23	A"	432	432	133.52
24	A"	177	177	1.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.883	-1.111	0.000
C2	0.000	0.097	0.000
C3	0.427	1.365	0.000
O4	-1.315	-0.268	0.000
H5	1.937	-0.830	0.000
H6	0.675	-1.724	0.882
H7	0.675	-1.724	-0.882
H8	1.485	1.591	0.000
H9	-0.261	2.204	0.000
H10	-1.859	0.520	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4970	2.5174	2.3545	1.0900	1.0935	1.0935	2.7680	3.5075	3.1910
C2	1.4970		1.3374	1.3644	2.1472	2.1331	2.1331	2.1058	2.1232	1.9065
C3	2.5174	1.3374		2.3872	2.6634	3.2213	3.2213	1.0812	1.0858	2.4374
O4	2.3545	1.3644	2.3872		3.2996	2.6188	2.6188	3.3601	2.6874	0.9574
H5	1.0900	2.1472	2.6634	3.2996		1.7795	1.7795	2.4625	3.7465	4.0286
H6	1.0935	2.1331	3.2213	2.6188	1.7795		1.7630	3.5240	4.1334	3.4979
H7	1.0935	2.1331	3.2213	2.6188	1.7795	1.7630		3.5240	4.1334	3.4979
H8	2.7680	2.1058	1.0812	3.3601	2.4625	3.5240	3.5240		1.8502	3.5110
H9	3.5075	2.1232	1.0858	2.6874	3.7465	4.1334	4.1334	1.8502		2.3221
H10	3.1910	1.9065	2.4374	0.9574	4.0286	3.4979	3.4979	3.5110	2.3221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.193	C1	C2	O4	110.657
C2	C1	H5	111.221	C2	C1	H6	109.876
C2	C1	H7	109.876	C2	C3	H8	120.711
C2	C3	H9	122.037	C2	O4	H10	109.137
C3	C2	O4	124.150	H5	C1	H6	109.172
H5	C1	H7	109.172	H6	C1	H7	107.441
H8	C3	H9	117.252

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

using model chemistry: MP3=FULL/6-311G*

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: MP3=FULL/6-311G*

States and conformations

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