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	hartrees
Energy at 0K	-192.226751
Energy at 298.15K	-192.233206
HF Energy	-191.855001
Nuclear repulsion energy	119.175271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3793	3547	15.35
2	A'	3318	3103	14.09
3	A'	3225	3016	4.77
4	A'	3200	2993	18.88
5	A'	3109	2908	15.82
6	A'	1799	1683	88.57
7	A'	1587	1484	9.77
8	A'	1539	1439	2.06
9	A'	1512	1414	17.36
10	A'	1430	1338	7.62
11	A'	1243	1163	158.36
12	A'	1084	1013	28.26
13	A'	1015	950	25.12
14	A'	875	818	14.58
15	A'	486	454	21.26
16	A'	420	393	2.56
17	A"	3177	2971	17.38
18	A"	1563	1462	7.59
19	A"	1153	1078	2.35
20	A"	887	830	88.66
21	A"	746	697	8.87
22	A"	506	473	0.04
23	A"	420	393	186.98
24	A"	173	162	1.81

Atom	x (Å)	y (Å)	z (Å)
C1	1.076	-0.945	0.000
C2	0.000	0.105	0.000
C3	0.183	1.432	0.000
O4	-1.266	-0.505	0.000
H5	2.066	-0.483	0.000
H6	0.978	-1.583	0.884
H7	0.978	-1.583	-0.884
H8	1.180	1.854	0.000
H9	-0.644	2.136	0.000
H10	-1.987	0.143	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5033	2.5388	2.3826	1.0927	1.0948	1.0948	2.8008	3.5280	3.2502
C2	1.5033		1.3395	1.4051	2.1481	2.1422	2.1422	2.1098	2.1302	1.9875
C3	2.5388	1.3395		2.4189	2.6853	3.2411	3.2411	1.0823	1.0861	2.5247
O4	2.3826	1.4051	2.4189		3.3319	2.6421	2.6421	3.3979	2.7126	0.9691
H5	1.0927	2.1481	2.6853	3.3319		1.7821	1.7821	2.4992	3.7683	4.1011
H6	1.0948	2.1422	3.2411	2.6421	1.7821		1.7683	3.5548	4.1524	3.5430
H7	1.0948	2.1422	3.2411	2.6421	1.7821	1.7683		3.5548	4.1524	3.5430
H8	2.8008	2.1098	1.0823	3.3979	2.4992	3.5548	3.5548		1.8455	3.6000
H9	3.5280	2.1302	1.0861	2.7126	3.7683	4.1524	4.1524	1.8455		2.4035
H10	3.2502	1.9875	2.5247	0.9691	4.1011	3.5430	3.5430	3.6000	2.4035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.434	C1	C2	O4	109.972
C2	C1	H5	110.683	C2	C1	H6	110.085
C2	C1	H7	110.085	C2	C3	H8	120.822
C2	C3	H9	122.514	C2	O4	H10	112.373
C3	C2	O4	123.594	H5	C1	H6	109.105
H5	C1	H7	109.105	H6	C1	H7	107.715
H8	C3	H9	116.664

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

using model chemistry: CID/6-31G

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: CID/6-31G

States and conformations

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