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	hartrees
Energy at 0K	-192.798877
Energy at 298.15K	-192.793079
HF Energy	-191.928540
Nuclear repulsion energy	121.216706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4110	4110	42.29
2	A'	3413	3413	13.73
3	A'	3316	3316	7.32
4	A'	3299	3299	23.75
5	A'	3200	3200	22.83
6	A'	1890	1890	189.21
7	A'	1627	1627	4.48
8	A'	1591	1591	1.21
9	A'	1551	1551	48.35
10	A'	1479	1479	14.67
11	A'	1333	1333	178.48
12	A'	1119	1119	35.20
13	A'	1065	1065	13.61
14	A'	919	919	5.84
15	A'	516	516	22.12
16	A'	433	433	2.21
17	A"	3261	3261	23.08
18	A"	1609	1609	5.03
19	A"	1173	1173	1.52
20	A"	927	927	85.41
21	A"	800	800	5.15
22	A"	557	557	2.58
23	A"	462	462	154.22
24	A"	202	202	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.871	-1.119	0.000
C2	0.000	0.101	0.000
C3	0.434	1.352	0.000
O4	-1.307	-0.247	0.000
H5	1.923	-0.852	0.000
H6	0.658	-1.726	0.877
H7	0.658	-1.726	-0.877
H8	1.487	1.569	0.000
H9	-0.243	2.193	0.000
H10	-1.858	0.519	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4990	2.5087	2.3464	1.0846	1.0879	1.0879	2.7570	3.4941	3.1827
C2	1.4990		1.3239	1.3529	2.1456	2.1306	2.1306	2.0895	2.1061	1.9042
C3	2.5087	1.3239		2.3642	2.6588	3.2079	3.2079	1.0752	1.0800	2.4388
O4	2.3464	1.3529	2.3642		3.2858	2.6109	2.6109	3.3328	2.6624	0.9433
H5	1.0846	2.1456	2.6588	3.2858		1.7701	1.7701	2.4590	3.7361	4.0210
H6	1.0879	2.1306	3.2079	2.6109	1.7701		1.7541	3.5087	4.1156	3.4836
H7	1.0879	2.1306	3.2079	2.6109	1.7701	1.7541		3.5087	4.1156	3.4836
H8	2.7570	2.0895	1.0752	3.3328	2.4590	3.5087	3.5087		1.8394	3.5061
H9	3.4941	2.1061	1.0800	2.6624	3.7361	4.1156	4.1156	1.8394		2.3264
H10	3.1827	1.9042	2.4388	0.9433	4.0210	3.4836	3.4836	3.5061	2.3264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.311	C1	C2	O4	110.620
C2	C1	H5	111.283	C2	C1	H6	109.881
C2	C1	H7	109.881	C2	C3	H8	120.789
C2	C3	H9	122.028	C2	O4	H10	110.790
C3	C2	O4	124.069	H5	C1	H6	109.129
H5	C1	H7	109.129	H6	C1	H7	107.452
H8	C3	H9	117.184

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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