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	hartrees
Energy at 0K	-192.740269
Energy at 298.15K	-192.746529
HF Energy	-192.006477
Nuclear repulsion energy	120.671003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3927	3666	31.10
2	A'	3319	3099	8.38
3	A'	3217	3004	4.02
4	A'	3202	2989	15.86
5	A'	3099	2893	15.89
6	A'	1773	1655	125.93
7	A'	1527	1426	7.00
8	A'	1493	1394	0.65
9	A'	1455	1358	34.92
10	A'	1397	1305	12.78
11	A'	1249	1166	148.20
12	A'	1050	980	31.58
13	A'	999	933	14.71
14	A'	880	822	7.34
15	A'	487	455	19.87
16	A'	415	387	1.28
17	A"	3166	2956	12.93
18	A"	1491	1392	7.46
19	A"	1087	1015	0.47
20	A"	726	678	3.10
21	A"	678	633	67.34
22	A"	444	415	1.51
23	A"	371	347	110.80
24	A"	168	156	3.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.904	-1.093	0.000
C2	0.000	0.097	0.000
C3	0.402	1.365	0.000
O4	-1.313	-0.288	0.000
H5	1.946	-0.784	0.000
H6	0.714	-1.706	0.881
H7	0.714	-1.706	-0.881
H8	1.452	1.604	0.000
H9	-0.301	2.186	0.000
H10	-1.862	0.498	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4945	2.5093	2.3588	1.0864	1.0896	1.0896	2.7524	3.4936	3.1909
C2	1.4945		1.3310	1.3683	2.1356	2.1298	2.1298	2.0932	2.1108	1.9044
C3	2.5093	1.3310		2.3828	2.6459	3.2105	3.2105	1.0767	1.0808	2.4245
O4	2.3588	1.3683	2.3828		3.2961	2.6259	2.6259	3.3509	2.6732	0.9589
H5	1.0864	2.1356	2.6459	3.2961		1.7726	1.7726	2.4383	3.7239	4.0173
H6	1.0896	2.1298	3.2105	2.6259	1.7726		1.7611	3.5040	4.1176	3.5028
H7	1.0896	2.1298	3.2105	2.6259	1.7726	1.7611		3.5040	4.1176	3.5028
H8	2.7524	2.0932	1.0767	3.3509	2.4383	3.5040	3.5040		1.8474	3.4936
H9	3.4936	2.1108	1.0808	2.6732	3.7239	4.1176	4.1176	1.8474		2.2987
H10	3.1909	1.9044	2.4245	0.9589	4.0173	3.5028	3.5028	3.4936	2.2987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.168	C1	C2	O4	110.888
C2	C1	H5	110.689	C2	C1	H6	110.027
C2	C1	H7	110.027	C2	C3	H8	120.406
C2	C3	H9	121.789	C2	O4	H10	108.552
C3	C2	O4	123.944	H5	C1	H6	109.103
H5	C1	H7	109.103	H6	C1	H7	107.834
H8	C3	H9	117.804

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

using model chemistry: MP3=FULL/TZVP

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=FULL/TZVP

States and conformations

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