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	hartrees
Energy at 0K	-192.702089
Energy at 298.15K	-192.708223
HF Energy	-192.005254
Nuclear repulsion energy	120.051147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3824	3681
2	A'	3270	3148
3	A'	3169	3050
4	A'	3156	3038
5	A'	3055	2940
6	A'	1720	1655
7	A'	1510	1453
8	A'	1471	1416
9	A'	1432	1379
10	A'	1372	1320
11	A'	1223	1177
12	A'	1032	994
13	A'	979	942
14	A'	859	827
15	A'	477	459
16	A'	405	390
17	A"	3121	3004
18	A"	1474	1418
19	A"	1069	1029
20	A"	702	676
21	A"	637	613
22	A"	414	398
23	A"	358	344
24	A"	159	153

Atom	x (Å)	y (Å)	z (Å)
C1	0.928	-1.081	0.000
C2	0.000	0.096	0.000
C3	0.379	1.382	0.000
O4	-1.314	-0.318	0.000
H5	1.967	-0.751	0.000
H6	0.748	-1.699	0.884
H7	0.748	-1.699	-0.884
H8	1.428	1.643	0.000
H9	-0.344	2.191	0.000
H10	-1.875	0.467	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4988	2.5235	2.3677	1.0905	1.0937	1.0937	2.7692	3.5106	3.2020
C2	1.4988		1.3405	1.3775	2.1417	2.1364	2.1364	2.1049	2.1229	1.9116
C3	2.5235	1.3405		2.3990	2.6594	3.2266	3.2266	1.0810	1.0851	2.4327
O4	2.3677	1.3775	2.3990		3.3093	2.6345	2.6345	3.3706	2.6898	0.9652
H5	1.0905	2.1417	2.6594	3.3093		1.7794	1.7794	2.4536	3.7414	4.0307
H6	1.0937	2.1364	3.2266	2.6345	1.7794		1.7686	3.5229	4.1361	3.5151
H7	1.0937	2.1364	3.2266	2.6345	1.7794	1.7686		3.5229	4.1361	3.5151
H8	2.7692	2.1049	1.0810	3.3706	2.4536	3.5229	3.5229		1.8552	3.5061
H9	3.5106	2.1229	1.0851	2.6898	3.7414	4.1361	4.1361	1.8552		2.3055
H10	3.2020	1.9116	2.4327	0.9652	4.0307	3.5151	3.5151	3.5061	2.3055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.347	C1	C2	O4	110.737
C2	C1	H5	110.625	C2	C1	H6	110.015
C2	C1	H7	110.015	C2	C3	H8	120.366
C2	C3	H9	121.788	C2	O4	H10	108.070
C3	C2	O4	123.915	H5	C1	H6	109.109
H5	C1	H7	109.109	H6	C1	H7	107.913
H8	C3	H9	117.846

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

using model chemistry: CCSD(T)/TZVP

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: CCSD(T)/TZVP

States and conformations

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