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	hartrees
Energy at 0K	-192.593992
Energy at 298.15K	-192.600432
HF Energy	-191.946619
Nuclear repulsion energy	120.523928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3947	3947	24.19
2	A'	3367	3367	10.25
3	A'	3262	3262	4.26
4	A'	3255	3255	15.73
5	A'	3147	3147	14.50
6	A'	1807	1807	104.74
7	A'	1562	1562	4.73
8	A'	1518	1518	1.06
9	A'	1479	1479	36.59
10	A'	1421	1421	7.62
11	A'	1257	1257	155.02
12	A'	1062	1062	28.33
13	A'	1013	1013	10.35
14	A'	892	892	6.99
15	A'	487	487	19.62
16	A'	412	412	1.35
17	A"	3223	3223	14.93
18	A"	1540	1540	5.59
19	A"	1111	1111	0.37
20	A"	805	805	62.56
21	A"	749	749	5.66
22	A"	501	501	1.03
23	A"	427	427	125.88
24	A"	186	186	1.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.923	-1.079	0.000
C2	0.000	0.098	0.000
C3	0.379	1.377	0.000
O4	-1.308	-0.315	0.000
H5	1.959	-0.757	0.000
H6	0.740	-1.694	0.878
H7	0.740	-1.694	-0.878
H8	1.423	1.637	0.000
H9	-0.337	2.185	0.000
H10	-1.875	0.460	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4954	2.5154	2.3575	1.0848	1.0878	1.0878	2.7617	3.4985	3.1929
C2	1.4954		1.3344	1.3715	2.1370	2.1284	2.1284	2.0962	2.1142	1.9096
C3	2.5154	1.3344		2.3899	2.6548	3.2148	3.2148	1.0755	1.0795	2.4341
O4	2.3575	1.3715	2.3899		3.2961	2.6199	2.6199	3.3570	2.6825	0.9604
H5	1.0848	2.1370	2.6548	3.2961		1.7709	1.7709	2.4531	3.7314	4.0221
H6	1.0878	2.1284	3.2148	2.6199	1.7709		1.7561	3.5124	4.1206	3.4995
H7	1.0878	2.1284	3.2148	2.6199	1.7709	1.7561		3.5124	4.1206	3.4995
H8	2.7617	2.0962	1.0755	3.3570	2.4531	3.5124	3.5124		1.8430	3.5020
H9	3.4985	2.1142	1.0795	2.6825	3.7314	4.1206	4.1206	1.8430		2.3118
H10	3.1929	1.9096	2.4341	0.9604	4.0221	3.4995	3.4995	3.5020	2.3118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.380	C1	C2	O4	110.560
C2	C1	H5	110.832	C2	C1	H6	109.957
C2	C1	H7	109.957	C2	C3	H8	120.504
C2	C3	H9	121.932	C2	O4	H10	108.663
C3	C2	O4	124.060	H5	C1	H6	109.195
H5	C1	H7	109.195	H6	C1	H7	107.638
H8	C3	H9	117.564

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

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