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	hartrees
Energy at 0K	-192.615294
Energy at 298.15K	-192.621644
HF Energy	-191.951187
Nuclear repulsion energy	119.361855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3803	3624
2	A'	3267	3114
3	A'	3164	3016
4	A'	3159	3011
5	A'	3052	2909
6	A'	1729	1648
7	A'	1482	1412
8	A'	1455	1387
9	A'	1414	1348
10	A'	1373	1308
11	A'	1228	1170
12	A'	1018	971
13	A'	975	930
14	A'	865	824
15	A'	468	446
16	A'	397	379
17	A"	3126	2980
18	A"	1462	1394
19	A"	1062	1012
20	A"	770	734
21	A"	717	683
22	A"	490	467
23	A"	434	414
24	A"	179	170

Atom	x (Å)	y (Å)	z (Å)
C1	0.866	-1.137	0.000
C2	0.000	0.096	0.000
C3	0.461	1.370	0.000
O4	-1.333	-0.246	0.000
H5	1.936	-0.870	0.000
H6	0.645	-1.754	0.892
H7	0.645	-1.754	-0.892
H8	1.537	1.568	0.000
H9	-0.223	2.229	0.000
H10	-1.839	0.581	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5070	2.5395	2.3728	1.1027	1.1064	1.1064	2.7878	3.5383	3.2047
C2	1.5070		1.3546	1.3761	2.1636	2.1521	2.1521	2.1287	2.1449	1.9019
C3	2.5395	1.3546		2.4143	2.6818	3.2532	3.2532	1.0944	1.0985	2.4315
O4	2.3728	1.3761	2.4143		3.3279	2.6418	2.6418	3.3956	2.7127	0.9696
H5	1.1027	2.1636	2.6818	3.3279		1.8008	1.8008	2.4709	3.7772	4.0443
H6	1.1064	2.1521	3.2532	2.6418	1.8008		1.7837	3.5535	4.1726	3.5234
H7	1.1064	2.1521	3.2532	2.6418	1.8008	1.7837		3.5535	4.1726	3.5234
H8	2.7878	2.1287	1.0944	3.3956	2.4709	3.5535	3.5535		1.8802	3.5177
H9	3.5383	2.1449	1.0985	2.7127	3.7772	4.1726	4.1726	1.8802		2.3083
H10	3.2047	1.9019	2.4315	0.9696	4.0443	3.5234	3.5234	3.5177	2.3083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.023	C1	C2	O4	110.690
C2	C1	H5	111.055	C2	C1	H6	109.927
C2	C1	H7	109.927	C2	C3	H8	120.362
C2	C3	H9	121.588	C2	O4	H10	107.076
C3	C2	O4	124.287	H5	C1	H6	109.209
H5	C1	H7	109.209	H6	C1	H7	107.436
H8	C3	H9	118.050

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

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

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