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	hartrees
Energy at 0K	-192.686975
Energy at 298.15K	-192.693293
HF Energy	-191.988005
Nuclear repulsion energy	119.874451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3846	3730
2	A'	3262	3163
3	A'	3157	3062
4	A'	3154	3058
5	A'	3050	2957
6	A'	1714	1662
7	A'	1505	1460
8	A'	1463	1419
9	A'	1425	1382
10	A'	1378	1336
11	A'	1224	1187
12	A'	1028	997
13	A'	977	947
14	A'	863	837
15	A'	473	459
16	A'	401	389
17	A"	3120	3025
18	A"	1483	1438
19	A"	1075	1042
20	A"	745	722
21	A"	719	697
22	A"	478	464
23	A"	407	394
24	A"	176	171

Atom	x (Å)	y (Å)	z (Å)
C1	0.885	-1.118	0.000
C2	0.000	0.096	0.000
C3	0.434	1.372	0.000
O4	-1.325	-0.269	0.000
H5	1.941	-0.831	0.000
H6	0.676	-1.730	0.887
H7	0.676	-1.730	-0.887
H8	1.496	1.590	0.000
H9	-0.260	2.211	0.000
H10	-1.844	0.542	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5028	2.5310	2.3670	1.0941	1.0971	1.0971	2.7765	3.5209	3.1944
C2	1.5028		1.3475	1.3740	2.1510	2.1398	2.1398	2.1141	2.1307	1.8972
C3	2.5310	1.3475		2.4052	2.6694	3.2354	3.2354	1.0844	1.0888	2.4244
O4	2.3670	1.3740	2.4052		3.3132	2.6312	2.6312	3.3782	2.6989	0.9633
H5	1.0941	2.1510	2.6694	3.3132		1.7868	1.7868	2.4619	3.7550	4.0262
H6	1.0971	2.1398	3.2354	2.6312	1.7868		1.7731	3.5329	4.1467	3.5071
H7	1.0971	2.1398	3.2354	2.6312	1.7868	1.7731		3.5329	4.1467	3.5071
H8	2.7765	2.1141	1.0844	3.3782	2.4619	3.5329	3.5329		1.8628	3.5007
H9	3.5209	2.1307	1.0888	2.6989	3.7550	4.1467	4.1467	1.8628		2.3010
H10	3.1944	1.8972	2.4244	0.9633	4.0262	3.5071	3.5071	3.5007	2.3010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.149	C1	C2	O4	110.649
C2	C1	H5	110.863	C2	C1	H6	109.791
C2	C1	H7	109.791	C2	C3	H8	120.373
C2	C3	H9	121.625	C2	O4	H10	107.218
C3	C2	O4	124.202	H5	C1	H6	109.262
H5	C1	H7	109.262	H6	C1	H7	107.814
H8	C3	H9	118.002

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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