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	hartrees
Energy at 0K
Energy at 298.15K	-0.069496
HF Energy	-0.069496
Nuclear repulsion energy	85.324912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2814	2990	146.17
2	A'	2786	2959	83.51
3	A'	2746	2918	114.07
4	A'	2696	2864	76.49
5	A'	2549	2708	219.55
6	A'	1814	1927	223.49
7	A'	1378	1464	194.35
8	A'	1329	1412	54.16
9	A'	1309	1391	79.38
10	A'	1224	1300	70.68
11	A'	1187	1262	149.14
12	A'	1008	1071	27.51
13	A'	964	1024	12.89
14	A'	944	1003	15.56
15	A'	444	472	10.23
16	A'	380	404	2.29
17	A"	2684	2852	111.16
18	A"	1229	1305	59.64
19	A"	1027	1091	175.80
20	A"	979	1040	92.31
21	A"	581	618	3.04
22	A"	478	508	0.89
23	A"	411	437	140.34
24	A"	58i	61i	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.142	-0.843	0.000
C2	0.000	0.108	0.000
C3	0.023	1.443	0.000
O4	-1.178	-0.620	0.000
H5	2.111	-0.326	0.000
H6	1.108	-1.501	0.883
H7	1.108	-1.501	-0.883
H8	0.933	2.016	0.000
H9	-0.852	2.067	0.000
H10	-1.977	-0.041	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4864	2.5452	2.3307	1.0979	1.1017	1.1017	2.8668	3.5277	3.2202
C2	1.4864		1.3348	1.3848	2.1555	2.1442	2.1442	2.1242	2.1360	1.9822
C3	2.5452	1.3348		2.3868	2.7373	3.2596	3.2596	1.0764	1.0745	2.4899
O4	2.3307	1.3848	2.3868		3.3020	2.6040	2.6040	3.3776	2.7068	0.9865
H5	1.0979	2.1555	2.7373	3.3020		1.7791	1.7791	2.6222	3.8091	4.0977
H6	1.1017	2.1442	3.2596	2.6040	1.7791		1.7653	3.6308	4.1658	3.5251
H7	1.1017	2.1442	3.2596	2.6040	1.7791	1.7653		3.6308	4.1658	3.5251
H8	2.8668	2.1242	1.0764	3.3776	2.6222	3.6308	3.6308		1.7862	3.5641
H9	3.5277	2.1360	1.0745	2.7068	3.8091	4.1658	4.1658	1.7862		2.3895
H10	3.2202	1.9822	2.4899	0.9865	4.0977	3.5251	3.5251	3.5641	2.3895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.812	C1	C2	O4	108.483
C2	C1	H5	112.164	C2	C1	H6	111.012
C2	C1	H7	111.012	C2	C3	H8	123.162
C2	C3	H9	124.543	C2	O4	H10	112.339
C3	C2	O4	122.705	H5	C1	H6	107.963
H5	C1	H7	107.963	H6	C1	H7	106.490
H8	C3	H9	112.295

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

using model chemistry: PM6

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: PM6

States and conformations

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