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	hartrees
Energy at 0K	-192.701425
Energy at 298.15K	-192.707805
HF Energy	-191.988957
Nuclear repulsion energy	120.434158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3873	3674	34.75
2	A'	3311	3140	6.93
3	A'	3205	3040	10.82
4	A'	3199	3035	5.28
5	A'	3091	2932	14.18
6	A'	1737	1648	115.53
7	A'	1512	1434	8.64
8	A'	1471	1395	0.97
9	A'	1433	1359	43.78
10	A'	1387	1316	5.57
11	A'	1229	1166	147.14
12	A'	1036	983	28.46
13	A'	985	934	8.36
14	A'	880	835	6.27
15	A'	480	455	19.82
16	A'	409	388	1.02
17	A"	3169	3006	11.49
18	A"	1489	1413	8.64
19	A"	1082	1026	0.04
20	A"	764	724	71.77
21	A"	732	694	2.09
22	A"	491	466	0.24
23	A"	415	394	108.18
24	A"	181	172	2.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.866	-1.123	0.000
C2	0.000	0.095	0.000
C3	0.451	1.359	0.000
O4	-1.322	-0.250	0.000
H5	1.921	-0.851	0.000
H6	0.650	-1.731	0.883
H7	0.650	-1.731	-0.883
H8	1.514	1.557	0.000
H9	-0.228	2.205	0.000
H10	-1.833	0.565	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4946	2.5159	2.3555	1.0901	1.0934	1.0934	2.7573	3.5030	3.1831
C2	1.4946		1.3413	1.3664	2.1417	2.1302	2.1302	2.1042	2.1218	1.8921
C3	2.5159	1.3413		2.3941	2.6538	3.2192	3.2192	1.0807	1.0853	2.4179
O4	2.3555	1.3664	2.3941		3.2985	2.6197	2.6197	3.3624	2.6875	0.9620
H5	1.0901	2.1417	2.6538	3.2985		1.7803	1.7803	2.4423	3.7360	4.0123
H6	1.0934	2.1302	3.2192	2.6197	1.7803		1.7660	3.5122	4.1281	3.4954
H7	1.0934	2.1302	3.2192	2.6197	1.7803	1.7660		3.5122	4.1281	3.4954
H8	2.7573	2.1042	1.0807	3.3624	2.4423	3.5122	3.5122		1.8582	3.4902
H9	3.5030	2.1218	1.0853	2.6875	3.7360	4.1281	4.1281	1.8582		2.2942
H10	3.1831	1.8921	2.4179	0.9620	4.0123	3.4954	3.4954	3.4902	2.2942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.946	C1	C2	O4	110.758
C2	C1	H5	110.942	C2	C1	H6	109.820
C2	C1	H7	109.820	C2	C3	H8	120.247
C2	C3	H9	121.587	C2	O4	H10	107.434
C3	C2	O4	124.296	H5	C1	H6	109.240
H5	C1	H7	109.240	H6	C1	H7	107.715
H8	C3	H9	118.166

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G**

States and conformations

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