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	hartrees
Energy at 0K	-192.637137
Energy at 298.15K	-192.643402
HF Energy	-191.952572
Nuclear repulsion energy	119.853908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3847	3847
2	A'	3312	3312
3	A'	3208	3208
4	A'	3200	3200
5	A'	3093	3093
6	A'	1735	1735
7	A'	1535	1535
8	A'	1488	1488
9	A'	1449	1449
10	A'	1376	1376
11	A'	1219	1219
12	A'	1041	1041
13	A'	988	988
14	A'	866	866
15	A'	475	475
16	A'	405	405
17	A"	3168	3168
18	A"	1509	1509
19	A"	1081	1081
20	A"	746	746
21	A"	712	712
22	A"	468	468
23	A"	377	377
24	A"	170	170

Atom	x (Å)	y (Å)	z (Å)
C1	0.973	-1.043	0.000
C2	0.000	0.097	0.000
C3	0.319	1.404	0.000
O4	-1.299	-0.376	0.000
H5	1.997	-0.672	0.000
H6	0.817	-1.666	0.882
H7	0.817	-1.666	-0.882
H8	1.354	1.712	0.000
H9	-0.438	2.179	0.000
H10	-1.907	0.375	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4984	2.5328	2.3678	1.0886	1.0915	1.0915	2.7808	3.5175	3.2101
C2	1.4984		1.3457	1.3822	2.1397	2.1339	2.1339	2.1074	2.1282	1.9271
C3	2.5328	1.3457		2.4053	2.6696	3.2331	3.2331	1.0796	1.0834	2.4519
O4	2.3678	1.3822	2.4053		3.3089	2.6306	2.6306	3.3756	2.6964	0.9665
H5	1.0886	2.1397	2.6696	3.3089		1.7771	1.7771	2.4694	3.7496	4.0417
H6	1.0915	2.1339	3.2331	2.6306	1.7771		1.7646	3.5323	4.1401	3.5165
H7	1.0915	2.1339	3.2331	2.6306	1.7771	1.7646		3.5323	4.1401	3.5165
H8	2.7808	2.1074	1.0796	3.3756	2.4694	3.5323	3.5323		1.8515	3.5237
H9	3.5175	2.1282	1.0834	2.6964	3.7496	4.1401	4.1401	1.8515		2.3263
H10	3.2101	1.9271	2.4519	0.9665	4.0417	3.5165	3.5165	3.5237	2.3263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.798	C1	C2	O4	110.503
C2	C1	H5	110.602	C2	C1	H6	109.963
C2	C1	H7	109.963	C2	C3	H8	120.272
C2	C3	H9	121.989	C2	O4	H10	108.983
C3	C2	O4	123.699	H5	C1	H6	109.197
H5	C1	H7	109.197	H6	C1	H7	107.867
H8	C3	H9	117.738

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

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

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)=FULL/6-31+G**

States and conformations

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