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	hartrees
Energy at 0K	-192.589002
Energy at 298.15K	-192.595342
HF Energy	-191.953455
Nuclear repulsion energy	120.247284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3938	3664	33.05
2	A'	3357	3123	9.27
3	A'	3254	3027	3.91
4	A'	3242	3016	15.77
5	A'	3135	2917	16.46
6	A'	1783	1659	126.28
7	A'	1548	1440	7.31
8	A'	1505	1401	0.86
9	A'	1467	1365	36.98
10	A'	1399	1302	22.66
11	A'	1242	1156	144.99
12	A'	1056	983	33.84
13	A'	1004	934	13.65
14	A'	885	823	9.54
15	A'	484	450	19.79
16	A'	412	384	1.44
17	A"	3209	2986	11.69
18	A"	1521	1416	7.11
19	A"	1095	1019	0.40
20	A"	771	717	77.91
21	A"	730	680	1.56
22	A"	482	448	3.47
23	A"	383	357	118.67
24	A"	175	163	2.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.953	-1.057	0.000
C2	0.000	0.097	0.000
C3	0.343	1.391	0.000
O4	-1.302	-0.348	0.000
H5	1.981	-0.705	0.000
H6	0.786	-1.677	0.880
H7	0.786	-1.677	-0.880
H8	1.381	1.678	0.000
H9	-0.397	2.179	0.000
H10	-1.897	0.407	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4970	2.5232	2.3635	1.0865	1.0895	1.0895	2.7685	3.5068	3.2042
C2	1.4970		1.3385	1.3759	2.1371	2.1310	2.1310	2.0990	2.1195	1.9224
C3	2.5232	1.3385		2.3939	2.6602	3.2225	3.2225	1.0772	1.0810	2.4469
O4	2.3635	1.3759	2.3939		3.3018	2.6267	2.6267	3.3621	2.6848	0.9618
H5	1.0865	2.1371	2.6602	3.3018		1.7740	1.7740	2.4573	3.7380	4.0343
H6	1.0895	2.1310	3.2225	2.6267	1.7740		1.7608	3.5192	4.1286	3.5097
H7	1.0895	2.1310	3.2225	2.6267	1.7740	1.7608		3.5192	4.1286	3.5097
H8	2.7685	2.0990	1.0772	3.3621	2.4573	3.5192	3.5192		1.8473	3.5163
H9	3.5068	2.1195	1.0810	2.6848	3.7380	4.1286	4.1286	1.8473		2.3223
H10	3.2042	1.9224	2.4469	0.9618	4.0343	3.5097	3.5097	3.5163	2.3223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.625	C1	C2	O4	110.634
C2	C1	H5	110.618	C2	C1	H6	109.953
C2	C1	H7	109.953	C2	C3	H8	120.286
C2	C3	H9	121.977	C2	O4	H10	109.360
C3	C2	O4	123.741	H5	C1	H6	109.222
H5	C1	H7	109.222	H6	C1	H7	107.819
H8	C3	H9	117.737

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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