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	hartrees
Energy at 0K	-192.688683
Energy at 298.15K	-192.695140
HF Energy	-191.959689
Nuclear repulsion energy	120.624752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3908	3702	32.14
2	A'	3315	3140	5.38
3	A'	3214	3044	2.35
4	A'	3209	3040	10.99
5	A'	3102	2938	10.98
6	A'	1784	1690	110.99
7	A'	1526	1445	5.36
8	A'	1490	1412	0.53
9	A'	1449	1373	37.52
10	A'	1407	1333	3.07
11	A'	1248	1182	148.09
12	A'	1046	991	26.33
13	A'	1003	950	7.96
14	A'	882	835	5.78
15	A'	484	459	17.97
16	A'	407	385	1.38
17	A"	3172	3005	9.33
18	A"	1506	1427	6.14
19	A"	1090	1033	0.60
20	A"	850	806	57.32
21	A"	751	712	1.70
22	A"	513	486	0.35
23	A"	432	409	108.47
24	A"	186	176	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.885	-1.108	0.000
C2	0.000	0.100	0.000
C3	0.424	1.362	0.000
O4	-1.314	-0.270	0.000
H5	1.936	-0.823	0.000
H6	0.680	-1.722	0.880
H7	0.680	-1.722	-0.880
H8	1.480	1.584	0.000
H9	-0.264	2.199	0.000
H10	-1.852	0.523	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4975	2.5133	2.3528	1.0889	1.0925	1.0925	2.7578	3.5011	3.1862
C2	1.4975		1.3318	1.3649	2.1443	2.1344	2.1344	2.0964	2.1156	1.9000
C3	2.5133	1.3318		2.3844	2.6572	3.2176	3.2176	1.0793	1.0832	2.4261
O4	2.3528	1.3649	2.3844		3.2960	2.6185	2.6185	3.3535	2.6829	0.9586
H5	1.0889	2.1443	2.6572	3.2960		1.7777	1.7777	2.4500	3.7378	4.0198
H6	1.0925	2.1344	3.2176	2.6185	1.7777		1.7608	3.5138	4.1278	3.4964
H7	1.0925	2.1344	3.2176	2.6185	1.7777	1.7608		3.5138	4.1278	3.4964
H8	2.7578	2.0964	1.0793	3.3535	2.4500	3.5138	3.5138		1.8495	3.4975
H9	3.5011	2.1156	1.0832	2.6829	3.7378	4.1278	4.1278	1.8495		2.3089
H10	3.1862	1.9000	2.4261	0.9586	4.0198	3.4964	3.4964	3.4975	2.3089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.226	C1	C2	O4	110.482
C2	C1	H5	111.021	C2	C1	H6	110.013
C2	C1	H7	110.013	C2	C3	H8	120.428
C2	C3	H9	121.994	C2	O4	H10	108.443
C3	C2	O4	124.292	H5	C1	H6	109.161
H5	C1	H7	109.161	H6	C1	H7	107.392
H8	C3	H9	117.578

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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