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	hartrees
Energy at 0K	-192.905439
Energy at 298.15K	-192.911839
HF Energy	-192.009396
Nuclear repulsion energy	120.506853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3845	3845
2	A'	3264	3264
3	A'	3160	3160
4	A'	3156	3156
5	A'	3052	3052
6	A'	1721	1721
7	A'	1504	1504
8	A'	1462	1462
9	A'	1422	1422
10	A'	1368	1368
11	A'	1212	1212
12	A'	1028	1028
13	A'	982	982
14	A'	868	868
15	A'	477	477
16	A'	404	404
17	A"	3116	3116
18	A"	1488	1488
19	A"	1071	1071
20	A"	807	807
21	A"	728	728
22	A"	495	495
23	A"	422	422
24	A"	190	190

Atom	x (Å)	y (Å)	z (Å)
C1	0.923	-1.078	0.000
C2	0.000	0.095	0.000
C3	0.376	1.379	0.000
O4	-1.305	-0.315	0.000
H5	1.961	-0.754	0.000
H6	0.741	-1.696	0.881
H7	0.741	-1.696	-0.881
H8	1.424	1.638	0.000
H9	-0.348	2.185	0.000
H10	-1.875	0.459	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4928	2.5174	2.3552	1.0877	1.0914	1.0914	2.7617	3.5018	3.1925
C2	1.4928		1.3381	1.3680	2.1374	2.1297	2.1297	2.0994	2.1186	1.9100
C3	2.5174	1.3381		2.3869	2.6578	3.2202	3.2202	1.0791	1.0834	2.4321
O4	2.3552	1.3680	2.3869		3.2959	2.6215	2.6215	3.3558	2.6768	0.9612
H5	1.0877	2.1374	2.6578	3.2959		1.7756	1.7756	2.4517	3.7379	4.0237
H6	1.0914	2.1297	3.2202	2.6215	1.7756		1.7612	3.5158	4.1266	3.5025
H7	1.0914	2.1297	3.2202	2.6215	1.7756	1.7612		3.5158	4.1266	3.5025
H8	2.7617	2.0994	1.0791	3.3558	2.4517	3.5158	3.5158		1.8545	3.5032
H9	3.5018	2.1186	1.0834	2.6768	3.7379	4.1266	4.1266	1.8545		2.3044
H10	3.1925	1.9100	2.4321	0.9612	4.0237	3.5025	3.5025	3.5032	2.3044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.473	C1	C2	O4	110.752
C2	C1	H5	110.872	C2	C1	H6	110.028
C2	C1	H7	110.028	C2	C3	H8	120.199
C2	C3	H9	121.716	C2	O4	H10	108.921
C3	C2	O4	123.775	H5	C1	H6	109.136
H5	C1	H7	109.136	H6	C1	H7	107.573
H8	C3	H9	118.086

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

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

States and conformations

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