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	hartrees
Energy at 0K	-192.904762
Energy at 298.15K	-192.911165
HF Energy	-192.009439
Nuclear repulsion energy	120.529675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3849	3849
2	A'	3265	3265
3	A'	3161	3161
4	A'	3157	3157
5	A'	3053	3053
6	A'	1723	1723
7	A'	1504	1504
8	A'	1463	1463
9	A'	1422	1422
10	A'	1369	1369
11	A'	1213	1213
12	A'	1028	1028
13	A'	983	983
14	A'	869	869
15	A'	477	477
16	A'	405	405
17	A"	3117	3117
18	A"	1489	1489
19	A"	1071	1071
20	A"	808	808
21	A"	728	728
22	A"	496	496
23	A"	422	422
24	A"	190	190

Atom	x (Å)	y (Å)	z (Å)
C1	0.921	-1.079	0.000
C2	0.000	0.095	0.000
C3	0.379	1.378	0.000
O4	-1.305	-0.312	0.000
H5	1.960	-0.757	0.000
H6	0.738	-1.698	0.881
H7	0.738	-1.698	-0.881
H8	1.427	1.635	0.000
H9	-0.344	2.185	0.000
H10	-1.874	0.462	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4926	2.5169	2.3548	1.0876	1.0914	1.0914	2.7611	3.5013	3.1921
C2	1.4926		1.3378	1.3675	2.1373	2.1294	2.1294	2.0992	2.1183	1.9097
C3	2.5169	1.3378		2.3863	2.6574	3.2197	3.2197	1.0791	1.0833	2.4320
O4	2.3548	1.3675	2.3863		3.2954	2.6210	2.6210	3.3551	2.6763	0.9610
H5	1.0876	2.1373	2.6574	3.2954		1.7755	1.7755	2.4511	3.7373	4.0233
H6	1.0914	2.1294	3.2197	2.6210	1.7755		1.7611	3.5152	4.1260	3.5020
H7	1.0914	2.1294	3.2197	2.6210	1.7755	1.7611		3.5152	4.1260	3.5020
H8	2.7611	2.0992	1.0791	3.3551	2.4511	3.5152	3.5152		1.8543	3.5031
H9	3.5013	2.1183	1.0833	2.6763	3.7373	4.1260	4.1260	1.8543		2.3045
H10	3.1921	1.9097	2.4320	0.9610	4.0233	3.5020	3.5020	3.5031	2.3045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.458	C1	C2	O4	110.759
C2	C1	H5	110.878	C2	C1	H6	110.022
C2	C1	H7	110.022	C2	C3	H8	120.202
C2	C3	H9	121.713	C2	O4	H10	108.953
C3	C2	O4	123.783	H5	C1	H6	109.139
H5	C1	H7	109.139	H6	C1	H7	107.571
H8	C3	H9	118.085

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-311+G(3df,2p)

States and conformations

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