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	hartrees
Energy at 0K	-192.686481
Energy at 298.15K	-192.692796
HF Energy	-191.988145
Nuclear repulsion energy	119.903318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3858	3722
2	A'	3255	3140
3	A'	3152	3041
4	A'	3147	3036
5	A'	3045	2938
6	A'	1721	1660
7	A'	1505	1451
8	A'	1466	1414
9	A'	1427	1376
10	A'	1382	1333
11	A'	1231	1188
12	A'	1030	994
13	A'	980	945
14	A'	864	834
15	A'	475	458
16	A'	401	387
17	A"	3111	3001
18	A"	1482	1430
19	A"	1074	1036
20	A"	750	724
21	A"	717	692
22	A"	478	461
23	A"	398	384
24	A"	177	170

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-1.120	0.000
C2	0.000	0.096	0.000
C3	0.435	1.371	0.000
O4	-1.324	-0.266	0.000
H5	1.940	-0.835	0.000
H6	0.674	-1.731	0.887
H7	0.674	-1.731	-0.887
H8	1.498	1.588	0.000
H9	-0.258	2.211	0.000
H10	-1.844	0.544	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5034	2.5309	2.3674	1.0942	1.0974	1.0974	2.7770	3.5210	3.1952
C2	1.5034		1.3467	1.3729	2.1518	2.1401	2.1401	2.1140	2.1300	1.8977
C3	2.5309	1.3467		2.4029	2.6700	3.2352	3.2352	1.0847	1.0891	2.4245
O4	2.3674	1.3729	2.4029		3.3134	2.6315	2.6315	3.3766	2.6962	0.9623
H5	1.0942	2.1518	2.6700	3.3134		1.7873	1.7873	2.4631	3.7559	4.0274
H6	1.0974	2.1401	3.2352	2.6315	1.7873		1.7736	3.5335	4.1465	3.5073
H7	1.0974	2.1401	3.2352	2.6315	1.7873	1.7736		3.5335	4.1465	3.5073
H8	2.7770	2.1140	1.0847	3.3766	2.4631	3.5335	3.5335		1.8630	3.5012
H9	3.5210	2.1300	1.0891	2.6962	3.7559	4.1465	4.1465	1.8630		2.3006
H10	3.1952	1.8977	2.4245	0.9623	4.0274	3.5073	3.5073	3.5012	2.3006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.155	C1	C2	O4	110.700
C2	C1	H5	110.884	C2	C1	H6	109.761
C2	C1	H7	109.761	C2	C3	H8	120.416
C2	C3	H9	121.609	C2	O4	H10	107.401
C3	C2	O4	124.145	H5	C1	H6	109.279
H5	C1	H7	109.279	H6	C1	H7	107.818
H8	C3	H9	117.975

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-311G**

States and conformations

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