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	hartrees
Energy at 0K	-192.912636
Energy at 298.15K	-192.919052
HF Energy	-192.721140
Nuclear repulsion energy	120.217450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3751	3558	21.45
2	A'	3298	3128	10.02
3	A'	3200	3035	5.42
4	A'	3191	3026	15.12
5	A'	3089	2929	16.26
6	A'	1754	1664	124.29
7	A'	1542	1463	7.16
8	A'	1496	1418	1.72
9	A'	1458	1383	31.32
10	A'	1400	1328	10.84
11	A'	1235	1171	149.43
12	A'	1047	993	29.58
13	A'	999	948	11.00
14	A'	877	832	5.44
15	A'	484	459	19.03
16	A'	410	389	1.50
17	A"	3151	2988	15.04
18	A"	1523	1444	7.15
19	A"	1103	1046	1.23
20	A"	797	756	73.80
21	A"	736	698	3.61
22	A"	505	479	3.11
23	A"	450	427	119.74
24	A"	183	174	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.915	-1.087	0.000
C2	0.000	0.098	0.000
C3	0.390	1.378	0.000
O4	-1.311	-0.307	0.000
H5	1.959	-0.773	0.000
H6	0.729	-1.708	0.881
H7	0.729	-1.708	-0.881
H8	1.440	1.635	0.000
H9	-0.323	2.197	0.000
H10	-1.875	0.483	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4966	2.5202	2.3583	1.0903	1.0939	1.0939	2.7717	3.5094	3.2013
C2	1.4966		1.3385	1.3718	2.1438	2.1373	2.1373	2.1061	2.1241	1.9145
C3	2.5202	1.3385		2.3939	2.6627	3.2272	3.2272	1.0811	1.0856	2.4357
O4	2.3583	1.3718	2.3939		3.3028	2.6269	2.6269	3.3669	2.6917	0.9707
H5	1.0903	2.1438	2.6627	3.3028		1.7784	1.7784	2.4631	3.7454	4.0348
H6	1.0939	2.1373	3.2272	2.6269	1.7784		1.7625	3.5291	4.1390	3.5155
H7	1.0939	2.1373	3.2272	2.6269	1.7784	1.7625		3.5291	4.1390	3.5155
H8	2.7717	2.1061	1.0811	3.3669	2.4631	3.5291	3.5291		1.8503	3.5098
H9	3.5094	2.1241	1.0856	2.6917	3.7454	4.1390	4.1390	1.8503		2.3128
H10	3.2013	1.9145	2.4357	0.9707	4.0348	3.5155	3.5155	3.5098	2.3128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.392	C1	C2	O4	110.528
C2	C1	H5	110.954	C2	C1	H6	110.217
C2	C1	H7	110.217	C2	C3	H8	120.658
C2	C3	H9	122.043	C2	O4	H10	108.418
C3	C2	O4	124.080	H5	C1	H6	109.018
H5	C1	H7	109.018	H6	C1	H7	107.332
H8	C3	H9	117.299

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G*

States and conformations

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