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	hartrees
Energy at 0K	-192.649515
Energy at 298.15K	-192.655924
HF Energy	-191.973454
Nuclear repulsion energy	120.419665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3822	3620	25.29
2	A'	3304	3129	7.55
3	A'	3204	3035	11.68
4	A'	3194	3025	5.26
5	A'	3091	2927	13.73
6	A'	1742	1650	122.26
7	A'	1531	1450	11.34
8	A'	1490	1411	1.30
9	A'	1450	1373	43.76
10	A'	1404	1329	6.60
11	A'	1245	1179	166.83
12	A'	1048	993	27.51
13	A'	998	945	8.48
14	A'	883	837	6.71
15	A'	487	461	19.82
16	A'	414	392	1.64
17	A"	3169	3001	11.50
18	A"	1510	1430	11.16
19	A"	1090	1032	0.18
20	A"	759	719	89.72
21	A"	734	695	1.17
22	A"	496	470	0.83
23	A"	447	423	129.62
24	A"	177	167	2.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.885	-1.106	0.000
C2	0.000	0.096	0.000
C3	0.426	1.369	0.000
O4	-1.315	-0.276	0.000
H5	1.936	-0.821	0.000
H6	0.680	-1.719	0.881
H7	0.680	-1.719	-0.881
H8	1.483	1.593	0.000
H9	-0.265	2.206	0.000
H10	-1.861	0.517	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4932	2.5172	2.3512	1.0893	1.0926	1.0926	2.7653	3.5062	3.1898
C2	1.4932		1.3416	1.3662	2.1429	2.1295	2.1295	2.1072	2.1261	1.9077
C3	2.5172	1.3416		2.3942	2.6605	3.2212	3.2212	1.0808	1.0854	2.4396
O4	2.3512	1.3662	2.3942		3.2964	2.6148	2.6148	3.3644	2.6942	0.9629
H5	1.0893	2.1429	2.6605	3.2964		1.7780	1.7780	2.4572	3.7431	4.0261
H6	1.0926	2.1295	3.2212	2.6148	1.7780		1.7618	3.5208	4.1323	3.4975
H7	1.0926	2.1295	3.2212	2.6148	1.7780	1.7618		3.5208	4.1323	3.4975
H8	2.7653	2.1072	1.0808	3.3644	2.4572	3.5208	3.5208		1.8521	3.5123
H9	3.5062	2.1261	1.0854	2.6942	3.7431	4.1323	4.1323	1.8521		2.3229
H10	3.1898	1.9077	2.4396	0.9629	4.0261	3.4975	3.4975	3.5123	2.3229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.155	C1	C2	O4	110.546
C2	C1	H5	111.183	C2	C1	H6	109.909
C2	C1	H7	109.909	C2	C3	H8	120.512
C2	C3	H9	121.972	C2	O4	H10	108.746
C3	C2	O4	124.298	H5	C1	H6	109.150
H5	C1	H7	109.150	H6	C1	H7	107.457
H8	C3	H9	117.516

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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