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	hartrees
Energy at 0K	-192.538581
Energy at 298.15K	-192.545005
HF Energy	-191.930953
Nuclear repulsion energy	120.269708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3808	3573	24.77
2	A'	3317	3112	8.79
3	A'	3220	3022	4.28
4	A'	3213	3014	13.70
5	A'	3111	2919	12.34
6	A'	1802	1690	109.90
7	A'	1554	1458	7.46
8	A'	1511	1418	0.99
9	A'	1473	1382	37.66
10	A'	1421	1333	6.61
11	A'	1261	1183	162.69
12	A'	1060	995	24.89
13	A'	1009	947	10.34
14	A'	891	836	7.34
15	A'	489	458	19.46
16	A'	414	388	1.70
17	A"	3180	2984	12.43
18	A"	1532	1438	7.54
19	A"	1110	1041	0.97
20	A"	800	751	73.08
21	A"	744	698	5.46
22	A"	502	471	1.00
23	A"	431	405	131.30
24	A"	184	173	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.936	-1.069	0.000
C2	0.000	0.098	0.000
C3	0.361	1.383	0.000
O4	-1.304	-0.332	0.000
H5	1.975	-0.734	0.000
H6	0.759	-1.691	0.883
H7	0.759	-1.691	-0.883
H8	1.407	1.663	0.000
H9	-0.367	2.189	0.000
H10	-1.886	0.443	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4960	2.5185	2.3580	1.0912	1.0942	1.0942	2.7721	3.5087	3.2014
C2	1.4960		1.3350	1.3732	2.1427	2.1342	2.1342	2.1041	2.1227	1.9170
C3	2.5185	1.3350		2.3911	2.6616	3.2228	3.2228	1.0819	1.0861	2.4358
O4	2.3580	1.3732	2.3911		3.3030	2.6229	2.6229	3.3658	2.6898	0.9697
H5	1.0912	2.1427	2.6616	3.3030		1.7812	1.7812	2.4632	3.7450	4.0357
H6	1.0942	2.1342	3.2228	2.6229	1.7812		1.7654	3.5279	4.1350	3.5110
H7	1.0942	2.1342	3.2228	2.6229	1.7812	1.7654		3.5279	4.1350	3.5110
H8	2.7721	2.1041	1.0819	3.3658	2.4632	3.5279	3.5279		1.8498	3.5109
H9	3.5087	2.1227	1.0861	2.6898	3.7450	4.1350	4.1350	1.8498		2.3137
H10	3.2014	1.9170	2.4358	0.9697	4.0357	3.5110	3.5110	3.5109	2.3137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.556	C1	C2	O4	110.460
C2	C1	H5	110.855	C2	C1	H6	110.000
C2	C1	H7	110.000	C2	C3	H8	120.694
C2	C3	H9	122.172	C2	O4	H10	108.585
C3	C2	O4	123.984	H5	C1	H6	109.183
H5	C1	H7	109.183	H6	C1	H7	107.551
H8	C3	H9	117.134

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)