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	hartrees
Energy at 0K	-192.982624
Energy at 298.15K	-192.976725
HF Energy	-193.128535
Nuclear repulsion energy	120.099146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3733	3585	16.35
2	A'	3262	3133	11.46
3	A'	3168	3042	6.75
4	A'	3155	3030	16.17
5	A'	3053	2932	19.48
6	A'	1745	1676	134.96
7	A'	1522	1462	6.19
8	A'	1478	1420	3.40
9	A'	1442	1384	29.00
10	A'	1386	1331	10.51
11	A'	1224	1175	149.82
12	A'	1034	993	30.04
13	A'	991	952	11.84
14	A'	869	834	4.36
15	A'	483	463	18.67
16	A'	409	393	1.56
17	A"	3106	2982	17.33
18	A"	1502	1443	7.13
19	A"	1091	1048	1.78
20	A"	802	770	71.56
21	A"	730	701	2.84
22	A"	506	486	2.47
23	A"	449	432	116.57
24	A"	183	176	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.903	-1.100	0.000
C2	0.000	0.098	0.000
C3	0.407	1.373	0.000
O4	-1.316	-0.289	0.000
H5	1.953	-0.800	0.000
H6	0.711	-1.722	0.882
H7	0.711	-1.722	-0.882
H8	1.462	1.618	0.000
H9	-0.295	2.203	0.000
H10	-1.872	0.507	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4998	2.5218	2.3620	1.0923	1.0966	1.0966	2.7744	3.5137	3.2066
C2	1.4998		1.3383	1.3714	2.1495	2.1439	2.1439	2.1088	2.1261	1.9164
C3	2.5218	1.3383		2.3934	2.6667	3.2327	3.2327	1.0831	1.0877	2.4382
O4	2.3620	1.3714	2.3934		3.3085	2.6343	2.6343	3.3690	2.6929	0.9710
H5	1.0923	2.1495	2.6667	3.3085		1.7811	1.7811	2.4669	3.7517	4.0424
H6	1.0966	2.1439	3.2327	2.6343	1.7811		1.7644	3.5352	4.1474	3.5241
H7	1.0966	2.1439	3.2327	2.6343	1.7811	1.7644		3.5352	4.1474	3.5241
H8	2.7744	2.1088	1.0831	3.3690	2.4669	3.5352	3.5352		1.8525	3.5144
H9	3.5137	2.1261	1.0877	2.6929	3.7517	4.1474	4.1474	1.8525		2.3161
H10	3.2066	1.9164	2.4382	0.9710	4.0424	3.5241	3.5241	3.5144	2.3161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.192	C1	C2	O4	110.486
C2	C1	H5	111.073	C2	C1	H6	110.270
C2	C1	H7	110.270	C2	C3	H8	120.907
C2	C3	H9	122.069	C2	O4	H10	109.164
C3	C2	O4	124.322	H5	C1	H6	108.972
H5	C1	H7	108.972	H6	C1	H7	107.187
H8	C3	H9	117.025

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

using model chemistry: G3B3

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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Number	Element	Mulliken
1	C	-0.498
2	C	0.402
3	C	-0.443
4	O	-0.615
5	H	0.159
6	H	0.168
7	H	0.168
8	H	0.138
9	H	0.118
10	H	0.403

	x	y	z	Total
	-0.110	0.596	0.000	0.606
CHELPG
AIM
ESP

<r²>	80.564
(<r²>)^1/2	8.976

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

using model chemistry: G3B3

States and conformations

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