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	hartrees
Energy at 0K	-192.550790
Energy at 298.15K	-192.557123
HF Energy	-191.929535
Nuclear repulsion energy	119.667167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3714	3563
2	A'	3262	3129
3	A'	3166	3037
4	A'	3159	3031
5	A'	3059	2935
6	A'	1747	1676
7	A'	1537	1474
8	A'	1489	1428
9	A'	1451	1392
10	A'	1398	1341
11	A'	1238	1187
12	A'	1043	1000
13	A'	990	950
14	A'	871	835
15	A'	478	459
16	A'	404	388
17	A"	3127	2999
18	A"	1515	1454
19	A"	1093	1048
20	A"	764	733
21	A"	722	692
22	A"	483	464
23	A"	428	410
24	A"	176	169

Atom	x (Å)	y (Å)	z (Å)
C1	0.950	-1.064	0.000
C2	0.000	0.098	0.000
C3	0.349	1.397	0.000
O4	-1.307	-0.350	0.000
H5	1.989	-0.717	0.000
H6	0.780	-1.690	0.886
H7	0.780	-1.690	-0.886
H8	1.395	1.689	0.000
H9	-0.392	2.197	0.000
H10	-1.894	0.429	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5008	2.5330	2.3673	1.0953	1.0982	1.0982	2.7890	3.5261	3.2120
C2	1.5008		1.3450	1.3811	2.1493	2.1420	2.1420	2.1164	2.1353	1.9224
C3	2.5330	1.3450		2.4063	2.6750	3.2398	3.2398	1.0861	1.0904	2.4424
O4	2.3673	1.3811	2.4063		3.3161	2.6333	2.6333	3.3846	2.7056	0.9752
H5	1.0953	2.1493	2.6750	3.3161		1.7874	1.7874	2.4783	3.7624	4.0482
H6	1.0982	2.1420	3.2398	2.6333	1.7874		1.7724	3.5471	4.1548	3.5244
H7	1.0982	2.1420	3.2398	2.6333	1.7874	1.7724		3.5471	4.1548	3.5244
H8	2.7890	2.1164	1.0861	3.3846	2.4783	3.5471	3.5471		1.8574	3.5217
H9	3.5261	2.1353	1.0904	2.7056	3.7624	4.1548	4.1548	1.8574		2.3194
H10	3.2120	1.9224	2.4424	0.9752	4.0482	3.5244	3.5244	3.5217	2.3194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.677	C1	C2	O4	110.388
C2	C1	H5	110.795	C2	C1	H6	110.041
C2	C1	H7	110.041	C2	C3	H8	120.676
C2	C3	H9	122.163	C2	O4	H10	108.111
C3	C2	O4	123.935	H5	C1	H6	109.149
H5	C1	H7	109.149	H6	C1	H7	107.599
H8	C3	H9	117.161

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

using model chemistry: QCISD(T)/6-31G*

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)/6-31G*

States and conformations

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