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	hartrees
Energy at 0K	-191.263378
Energy at 298.15K	-191.269777
HF Energy	-190.866294
Nuclear repulsion energy	118.800477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3515	3332	5.99
2	A'	3289	3118	8.46
3	A'	3192	3026	3.89
4	A'	3186	3021	11.88
5	A'	3097	2936	9.30
6	A'	1714	1625	67.65
7	A'	1597	1514	12.67
8	A'	1531	1451	13.33
9	A'	1493	1416	11.70
10	A'	1430	1356	2.13
11	A'	1211	1148	119.87
12	A'	1068	1012	23.55
13	A'	993	941	43.39
14	A'	835	792	7.87
15	A'	475	450	18.19
16	A'	407	386	3.41
17	A"	3163	2998	12.24
18	A"	1577	1495	6.65
19	A"	1147	1087	2.93
20	A"	852	808	90.99
21	A"	738	699	8.26
22	A"	506	479	13.32
23	A"	455	431	135.43
24	A"	155	147	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.970	-1.054	0.000
C2	0.000	0.106	0.000
C3	0.351	1.402	0.000
O4	-1.325	-0.373	0.000
H5	1.999	-0.688	0.000
H6	0.803	-1.675	0.886
H7	0.803	-1.675	-0.886
H8	1.394	1.690	0.000
H9	-0.381	2.204	0.000
H10	-1.948	0.401	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5122	2.5330	2.3932	1.0926	1.0945	1.0945	2.7766	3.5273	3.2600
C2	1.5122		1.3428	1.4086	2.1515	2.1451	2.1451	2.1100	2.1323	1.9699
C3	2.5330	1.3428		2.4413	2.6622	3.2337	3.2337	1.0820	1.0863	2.5078
O4	2.3932	1.4086	2.4413		3.3388	2.6468	2.6468	3.4129	2.7443	0.9934
H5	1.0926	2.1515	2.6622	3.3388		1.7858	1.7858	2.4542	3.7464	4.0946
H6	1.0945	2.1451	3.2337	2.6468	1.7858		1.7719	3.5292	4.1513	3.5578
H7	1.0945	2.1451	3.2337	2.6468	1.7858	1.7719		3.5292	4.1513	3.5578
H8	2.7766	2.1100	1.0820	3.4129	2.4542	3.5292	3.5292		1.8487	3.5821
H9	3.5273	2.1323	1.0863	2.7443	3.7464	4.1513	4.1513	1.8487		2.3888
H10	3.2600	1.9699	2.5078	0.9934	4.0946	3.5578	3.5578	3.5821	2.3888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.946	C1	C2	O4	109.996
C2	C1	H5	110.340	C2	C1	H6	109.715
C2	C1	H7	109.715	C2	C3	H8	120.585
C2	C3	H9	122.416	C2	O4	H10	108.961
C3	C2	O4	125.057	H5	C1	H6	109.474
H5	C1	H7	109.474	H6	C1	H7	108.085
H8	C3	H9	116.999

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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