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	hartrees
Energy at 0K	-192.817299
Energy at 298.15K	-192.823802
HF Energy	-192.012476
Nuclear repulsion energy	121.102408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3840	3646	39.87
2	A'	3311	3143	4.16
3	A'	3219	3056	3.15
4	A'	3203	3041	9.11
5	A'	3100	2943	12.07
6	A'	1745	1657	122.27
7	A'	1517	1440	8.63
8	A'	1477	1402	0.84
9	A'	1431	1358	43.50
10	A'	1382	1313	8.09
11	A'	1215	1153	141.66
12	A'	1034	982	32.22
13	A'	990	940	8.32
14	A'	883	839	6.75
15	A'	483	458	18.65
16	A'	411	390	1.18
17	A"	3165	3005	7.47
18	A"	1500	1424	8.07
19	A"	1085	1030	0.21
20	A"	840	798	68.91
21	A"	744	706	1.30
22	A"	517	490	0.71
23	A"	450	427	99.21
24	A"	201	191	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.903	-1.082	0.000
C2	0.000	0.095	0.000
C3	0.397	1.366	0.000
O4	-1.306	-0.298	0.000
H5	1.940	-0.771	0.000
H6	0.713	-1.695	0.876
H7	0.713	-1.695	-0.876
H8	1.443	1.601	0.000
H9	-0.311	2.177	0.000
H10	-1.854	0.493	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4831	2.4995	2.3437	1.0822	1.0859	1.0859	2.7361	3.4776	3.1751
C2	1.4831		1.3318	1.3633	2.1241	2.1161	2.1161	2.0859	2.1054	1.8963
C3	2.4995	1.3318		2.3805	2.6356	3.1992	3.1992	1.0724	1.0767	2.4143
O4	2.3437	1.3633	2.3805		3.2796	2.6066	2.6066	3.3407	2.6670	0.9623
H5	1.0822	2.1241	2.6356	3.2796		1.7678	1.7678	2.4227	3.7090	3.9987
H6	1.0859	2.1161	3.1992	2.6066	1.7678		1.7520	3.4869	4.0996	3.4848
H7	1.0859	2.1161	3.1992	2.6066	1.7678	1.7520		3.4869	4.0996	3.4848
H8	2.7361	2.0859	1.0724	3.3407	2.4227	3.4869	3.4869		1.8470	3.4784
H9	3.4776	2.1054	1.0767	2.6670	3.7090	4.0996	4.0996	1.8470		2.2838
H10	3.1751	1.8963	2.4143	0.9623	3.9987	3.4848	3.4848	3.4784	2.2838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.147	C1	C2	O4	110.782
C2	C1	H5	110.819	C2	C1	H6	109.956
C2	C1	H7	109.956	C2	C3	H8	119.972
C2	C3	H9	121.528	C2	O4	H10	108.010
C3	C2	O4	124.071	H5	C1	H6	109.245
H5	C1	H7	109.245	H6	C1	H7	107.553
H8	C3	H9	118.500

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

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

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