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	hartrees
Energy at 0K	-189.717157
Energy at 298.15K	-189.723281
HF Energy	-189.499527
Nuclear repulsion energy	117.538459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3877	3446	29.09
2	A'	3624	3221	0.48
3	A'	3563	3167	0.62
4	A'	3462	3077	11.99
5	A'	3373	2998	1.04
6	A'	1848	1642	28.17
7	A'	1719	1528	3.78
8	A'	1645	1462	0.06
9	A'	1594	1417	13.10
10	A'	1573	1398	7.57
11	A'	1377	1224	52.93
12	A'	1119	995	5.14
13	A'	1065	947	5.93
14	A'	906	806	1.96
15	A'	471	419	9.97
16	A'	395	351	1.08
17	A"	3542	3148	0.93
18	A"	1710	1520	1.58
19	A"	1186	1055	1.81
20	A"	880	782	23.11
21	A"	791	703	0.18
22	A"	518	460	55.24
23	A"	485	431	23.22
24	A"	118	105	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.868	-1.176	0.000
C2	0.000	0.100	0.000
C3	0.499	1.361	0.000
O4	-1.380	-0.213	0.000
H5	1.937	-0.910	0.000
H6	0.653	-1.790	0.893
H7	0.653	-1.790	-0.893
H8	1.578	1.541	0.000
H9	-0.163	2.236	0.000
H10	-1.816	0.705	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5430	2.5632	2.4456	1.1023	1.1046	1.1046	2.8077	3.5636	3.2773
C2	1.5430		1.3559	1.4154	2.1847	2.1898	2.1898	2.1366	2.1418	1.9143
C3	2.5632	1.3559		2.4513	2.6877	3.2781	3.2781	1.0939	1.0969	2.4062
O4	2.4456	1.4154	2.4513		3.3901	2.7239	2.7239	3.4390	2.7347	1.0162
H5	1.1023	2.1847	2.6877	3.3901		1.7945	1.7945	2.4764	3.7819	4.0861
H6	1.1046	2.1898	3.2781	2.7239	1.7945		1.7861	3.5696	4.2030	3.6221
H7	1.1046	2.1898	3.2781	2.7239	1.7945	1.7861		3.5696	4.2030	3.6221
H8	2.8077	2.1366	1.0939	3.4390	2.4764	3.5696	3.5696		1.8743	3.4955
H9	3.5636	2.1418	1.0969	2.7347	3.7819	4.2030	4.2030	1.8743		2.2532
H10	3.2773	1.9143	2.4062	1.0162	4.0861	3.6221	3.6221	3.4955	2.2532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.188	C1	C2	O4	111.443
C2	C1	H5	110.246	C2	C1	H6	110.508
C2	C1	H7	110.508	C2	C3	H8	121.053
C2	C3	H9	121.307	C2	O4	H10	102.618
C3	C2	O4	124.369	H5	C1	H6	108.810
H5	C1	H7	108.810	H6	C1	H7	107.895
H8	C3	H9	117.641

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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