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	hartrees
Energy at 0K	-36.207864
Energy at 298.15K	-36.214119
HF Energy	-35.634366
Nuclear repulsion energy	67.309041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3759	3581	26.04
2	A'	3298	3142	9.83
3	A'	3196	3045	15.50
4	A'	3185	3034	4.98
5	A'	3077	2932	17.63
6	A'	1713	1632	116.43
7	A'	1530	1457	10.94
8	A'	1483	1413	0.94
9	A'	1442	1374	35.25
10	A'	1373	1309	15.77
11	A'	1226	1168	152.97
12	A'	1038	989	34.10
13	A'	982	936	9.58
14	A'	863	822	9.14
15	A'	475	453	19.09
16	A'	404	385	1.56
17	A"	3165	3015	14.45
18	A"	1506	1435	10.10
19	A"	1079	1028	0.28
20	A"	717	683	1.62
21	A"	674	643	94.56
22	A"	458	436	4.56
23	A"	409	390	115.17
24	A"	172	164	2.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.961	-1.061	0.000
C2	0.000	0.098	0.000
C3	0.342	1.406	0.000
O4	-1.310	-0.361	0.000
H5	1.993	-0.704	0.000
H6	0.793	-1.683	0.885
H7	0.793	-1.683	-0.885
H8	1.387	1.693	0.000
H9	-0.403	2.198	0.000
H10	-1.898	0.417	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5058	2.5435	2.3768	1.0920	1.0949	1.0949	2.7870	3.5332	3.2185
C2	1.5058		1.3518	1.3884	2.1484	2.1413	2.1413	2.1135	2.1383	1.9244
C3	2.5435	1.3518		2.4192	2.6791	3.2448	3.2448	1.0832	1.0876	2.4482
O4	2.3768	1.3884	2.4192		3.3211	2.6372	2.6372	3.3901	2.7151	0.9752
H5	1.0920	2.1484	2.6791	3.3211		1.7840	1.7840	2.4728	3.7635	4.0491
H6	1.0949	2.1413	3.2448	2.6372	1.7840		1.7706	3.5406	4.1566	3.5263
H7	1.0949	2.1413	3.2448	2.6372	1.7840	1.7706		3.5406	4.1566	3.5263
H8	2.7870	2.1135	1.0832	3.3901	2.4728	3.5406	3.5406		1.8595	3.5233
H9	3.5332	2.1383	1.0876	2.7151	3.7635	4.1566	4.1566	1.8595		2.3247
H10	3.2185	1.9244	2.4482	0.9752	4.0491	3.5263	3.5263	3.5233	2.3247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.683	C1	C2	O4	110.349
C2	C1	H5	110.571	C2	C1	H6	109.832
C2	C1	H7	109.832	C2	C3	H8	120.037
C2	C3	H9	122.089	C2	O4	H10	107.727
C3	C2	O4	123.967	H5	C1	H6	109.325
H5	C1	H7	109.325	H6	C1	H7	107.909
H8	C3	H9	117.873

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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