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	hartrees
Energy at 0K	-192.937887
Energy at 298.15K	-192.944307
HF Energy	-192.735124
Nuclear repulsion energy	120.344304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3838	3838	22.50
2	A'	3308	3308	9.98
3	A'	3204	3204	4.54
4	A'	3198	3198	15.10
5	A'	3091	3091	16.37
6	A'	1752	1752	124.20
7	A'	1530	1530	5.72
8	A'	1487	1487	1.89
9	A'	1448	1448	34.45
10	A'	1393	1393	10.51
11	A'	1225	1225	147.24
12	A'	1041	1041	30.74
13	A'	996	996	9.80
14	A'	876	876	5.09
15	A'	483	483	19.11
16	A'	410	410	1.42
17	A"	3157	3157	15.15
18	A"	1510	1510	6.53
19	A"	1094	1094	0.97
20	A"	798	798	67.54
21	A"	736	736	3.46
22	A"	504	504	2.05
23	A"	445	445	117.24
24	A"	183	183	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.909	-1.091	0.000
C2	0.000	0.098	0.000
C3	0.397	1.375	0.000
O4	-1.312	-0.300	0.000
H5	1.953	-0.783	0.000
H6	0.720	-1.709	0.880
H7	0.720	-1.709	-0.880
H8	1.447	1.623	0.000
H9	-0.311	2.195	0.000
H10	-1.870	0.488	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4959	2.5186	2.3572	1.0881	1.0918	1.0918	2.7666	3.5051	3.1962
C2	1.4959		1.3382	1.3705	2.1417	2.1342	2.1342	2.1028	2.1207	1.9107
C3	2.5186	1.3382		2.3930	2.6602	3.2236	3.2236	1.0790	1.0834	2.4351
O4	2.3572	1.3705	2.3930		3.2997	2.6240	2.6240	3.3629	2.6882	0.9656
H5	1.0881	2.1417	2.6602	3.2997		1.7754	1.7754	2.4582	3.7406	4.0285
H6	1.0918	2.1342	3.2236	2.6240	1.7754		1.7593	3.5222	4.1327	3.5081
H7	1.0918	2.1342	3.2236	2.6240	1.7754	1.7593		3.5222	4.1327	3.5081
H8	2.7666	2.1028	1.0790	3.3629	2.4582	3.5222	3.5222		1.8491	3.5066
H9	3.5051	2.1207	1.0834	2.6882	3.7406	4.1327	4.1327	1.8491		2.3125
H10	3.1962	1.9107	2.4351	0.9656	4.0285	3.5081	3.5081	3.5066	2.3125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.323	C1	C2	O4	110.561
C2	C1	H5	110.974	C2	C1	H6	110.148
C2	C1	H7	110.148	C2	C3	H8	120.531
C2	C3	H9	121.919	C2	O4	H10	108.507
C3	C2	O4	124.116	H5	C1	H6	109.067
H5	C1	H7	109.067	H6	C1	H7	107.354
H8	C3	H9	117.550

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)