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	hartrees
Energy at 0K	-192.592313
Energy at 298.15K	-192.598652
HF Energy	-191.953249
Nuclear repulsion energy	120.133055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3908	3682	31.07
2	A'	3338	3146	9.50
3	A'	3236	3049	3.80
4	A'	3223	3037	16.43
5	A'	3117	2937	17.54
6	A'	1782	1679	115.81
7	A'	1545	1456	6.81
8	A'	1503	1416	0.63
9	A'	1464	1380	33.85
10	A'	1394	1314	22.79
11	A'	1238	1166	143.01
12	A'	1054	993	33.28
13	A'	1001	943	14.09
14	A'	881	830	10.48
15	A'	483	455	19.31
16	A'	412	388	1.43
17	A"	3192	3008	12.60
18	A"	1520	1432	6.79
19	A"	1094	1031	0.38
20	A"	787	741	74.96
21	A"	729	687	1.51
22	A"	482	454	3.78
23	A"	380	358	118.37
24	A"	176	165	2.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.962	-1.050	0.000
C2	0.000	0.098	0.000
C3	0.332	1.395	0.000
O4	-1.300	-0.360	0.000
H5	1.989	-0.691	0.000
H6	0.800	-1.672	0.881
H7	0.800	-1.672	-0.881
H8	1.369	1.692	0.000
H9	-0.415	2.178	0.000
H10	-1.904	0.390	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4978	2.5251	2.3643	1.0879	1.0907	1.0907	2.7717	3.5099	3.2073
C2	1.4978		1.3386	1.3783	2.1393	2.1329	2.1329	2.1004	2.1213	1.9262
C3	2.5251	1.3386		2.3965	2.6638	3.2252	3.2252	1.0785	1.0822	2.4510
O4	2.3643	1.3783	2.3965		3.3048	2.6277	2.6277	3.3661	2.6887	0.9636
H5	1.0879	2.1393	2.6638	3.3048		1.7755	1.7755	2.4616	3.7429	4.0398
H6	1.0907	2.1329	3.2252	2.6277	1.7755		1.7629	3.5231	4.1325	3.5127
H7	1.0907	2.1329	3.2252	2.6277	1.7755	1.7629		3.5231	4.1325	3.5127
H8	2.7717	2.1004	1.0785	3.3661	2.4616	3.5231	3.5231		1.8488	3.5217
H9	3.5099	2.1213	1.0822	2.6887	3.7429	4.1325	4.1325	1.8488		2.3270
H10	3.2073	1.9262	2.4510	0.9636	4.0398	3.5127	3.5127	3.5217	2.3270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.709	C1	C2	O4	110.514
C2	C1	H5	110.658	C2	C1	H6	109.977
C2	C1	H7	109.977	C2	C3	H8	120.300
C2	C3	H9	122.036	C2	O4	H10	109.394
C3	C2	O4	123.777	H5	C1	H6	109.171
H5	C1	H7	109.171	H6	C1	H7	107.830
H8	C3	H9	117.665

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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