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	hartrees
Energy at 0K	-192.521896
Energy at 298.15K	-192.528308
HF Energy	-191.930825
Nuclear repulsion energy	120.169853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3806	3573	24.60
2	A'	3316	3112	8.88
3	A'	3219	3022	4.30
4	A'	3211	3014	13.85
5	A'	3110	2919	12.43
6	A'	1799	1689	109.11
7	A'	1554	1458	7.46
8	A'	1510	1417	0.94
9	A'	1472	1381	37.12
10	A'	1419	1332	6.53
11	A'	1260	1183	162.35
12	A'	1059	994	24.83
13	A'	1007	945	10.45
14	A'	890	835	7.42
15	A'	488	458	19.44
16	A'	413	387	1.70
17	A"	3180	2984	12.57
18	A"	1532	1438	7.46
19	A"	1109	1041	0.88
20	A"	795	746	72.37
21	A"	742	697	5.87
22	A"	499	468	0.98
23	A"	429	403	131.37
24	A"	184	172	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.939	-1.068	0.000
C2	0.000	0.098	0.000
C3	0.359	1.385	0.000
O4	-1.305	-0.335	0.000
H5	1.977	-0.731	0.000
H6	0.763	-1.690	0.883
H7	0.763	-1.690	-0.883
H8	1.404	1.667	0.000
H9	-0.371	2.190	0.000
H10	-1.887	0.441	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4976	2.5214	2.3604	1.0916	1.0945	1.0945	2.7749	3.5115	3.2035
C2	1.4976		1.3364	1.3747	2.1438	2.1357	2.1357	2.1055	2.1240	1.9178
C3	2.5214	1.3364		2.3934	2.6638	3.2256	3.2256	1.0822	1.0864	2.4369
O4	2.3604	1.3747	2.3934		3.3054	2.6252	2.6252	3.3684	2.6915	0.9698
H5	1.0916	2.1438	2.6638	3.3054		1.7819	1.7819	2.4656	3.7474	4.0377
H6	1.0945	2.1357	3.2256	2.6252	1.7819		1.7661	3.5307	4.1377	3.5132
H7	1.0945	2.1357	3.2256	2.6252	1.7819	1.7661		3.5307	4.1377	3.5132
H8	2.7749	2.1055	1.0822	3.3684	2.4656	3.5307	3.5307		1.8506	3.5122
H9	3.5115	2.1240	1.0864	2.6915	3.7474	4.1377	4.1377	1.8506		2.3144
H10	3.2035	1.9178	2.4369	0.9698	4.0377	3.5132	3.5132	3.5122	2.3144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.579	C1	C2	O4	110.458
C2	C1	H5	110.817	C2	C1	H6	109.994
C2	C1	H7	109.994	C2	C3	H8	120.687
C2	C3	H9	122.154	C2	O4	H10	108.535
C3	C2	O4	123.963	H5	C1	H6	109.198
H5	C1	H7	109.198	H6	C1	H7	107.573
H8	C3	H9	117.159

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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