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	hartrees
Energy at 0K	-192.814341
Energy at 298.15K	-192.820718
HF Energy	-192.008804
Nuclear repulsion energy	120.206952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3819	3605
2	A'	3257	3074
3	A'	3151	2974
4	A'	3149	2972
5	A'	3043	2872
6	A'	1705	1609
7	A'	1500	1416
8	A'	1455	1373
9	A'	1414	1335
10	A'	1357	1281
11	A'	1201	1133
12	A'	1022	964
13	A'	976	921
14	A'	860	812
15	A'	473	446
16	A'	402	379
17	A"	3112	2937
18	A"	1484	1401
19	A"	1067	1007
20	A"	798	753
21	A"	724	684
22	A"	491	463
23	A"	425	401
24	A"	187	177

Atom	x (Å)	y (Å)	z (Å)
C1	0.932	-1.074	0.000
C2	0.000	0.096	0.000
C3	0.368	1.386	0.000
O4	-1.307	-0.325	0.000
H5	1.970	-0.742	0.000
H6	0.754	-1.695	0.882
H7	0.754	-1.695	-0.882
H8	1.416	1.650	0.000
H9	-0.363	2.188	0.000
H10	-1.881	0.449	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4962	2.5242	2.3607	1.0894	1.0929	1.0929	2.7673	3.5098	3.1986
C2	1.4962		1.3416	1.3729	2.1405	2.1338	2.1338	2.1027	2.1231	1.9134
C3	2.5242	1.3416		2.3947	2.6634	3.2278	3.2278	1.0807	1.0849	2.4365
O4	2.3607	1.3729	2.3947		3.3027	2.6267	2.6267	3.3641	2.6848	0.9636
H5	1.0894	2.1405	2.6634	3.3027		1.7785	1.7785	2.4555	3.7449	4.0302
H6	1.0929	2.1338	3.2278	2.6267	1.7785		1.7639	3.5221	4.1352	3.5091
H7	1.0929	2.1338	3.2278	2.6267	1.7785	1.7639		3.5221	4.1352	3.5091
H8	2.7673	2.1027	1.0807	3.3641	2.4555	3.5221	3.5221		1.8583	3.5090
H9	3.5098	2.1231	1.0849	2.6848	3.7449	4.1352	4.1352	1.8583		2.3087
H10	3.1986	1.9134	2.4365	0.9636	4.0302	3.5091	3.5091	3.5090	2.3087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.533	C1	C2	O4	110.662
C2	C1	H5	110.780	C2	C1	H6	110.031
C2	C1	H7	110.031	C2	C3	H8	120.078
C2	C3	H9	121.722	C2	O4	H10	108.689
C3	C2	O4	123.805	H5	C1	H6	109.166
H5	C1	H7	109.166	H6	C1	H7	107.602
H8	C3	H9	118.200

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

using model chemistry: MP4/6-311+G(3df,2p)

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: MP4/6-311+G(3df,2p)

States and conformations

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