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	hartrees
Energy at 0K	-192.669146
Energy at 298.15K	-192.675392
HF Energy	-192.006389
Nuclear repulsion energy	120.598982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3925	3670	30.85
2	A'	3319	3104	8.55
3	A'	3218	3009	4.08
4	A'	3202	2994	16.14
5	A'	3100	2899	16.15
6	A'	1771	1657	125.22
7	A'	1526	1427	6.98
8	A'	1492	1396	0.57
9	A'	1453	1359	34.65
10	A'	1396	1306	12.20
11	A'	1249	1168	148.15
12	A'	1049	981	31.53
13	A'	997	933	14.87
14	A'	879	822	7.40
15	A'	486	455	19.85
16	A'	414	387	1.27
17	A"	3166	2961	13.20
18	A"	1490	1394	7.34
19	A"	1085	1015	0.53
20	A"	725	678	2.79
21	A"	671	627	67.34
22	A"	440	412	1.51
23	A"	369	345	110.59
24	A"	167	156	3.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.905	-1.094	0.000
C2	0.000	0.097	0.000
C3	0.403	1.366	0.000
O4	-1.314	-0.288	0.000
H5	1.947	-0.784	0.000
H6	0.715	-1.707	0.881
H7	0.715	-1.707	-0.881
H8	1.454	1.605	0.000
H9	-0.301	2.187	0.000
H10	-1.862	0.499	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4953	2.5108	2.3602	1.0871	1.0903	1.0903	2.7538	3.4957	3.1923
C2	1.4953		1.3319	1.3692	2.1365	2.1310	2.1310	2.0944	2.1121	1.9050
C3	2.5108	1.3319		2.3844	2.6470	3.2124	3.2124	1.0773	1.0815	2.4256
O4	2.3602	1.3692	2.3844		3.2979	2.6275	2.6275	3.3529	2.6749	0.9591
H5	1.0871	2.1365	2.6470	3.2979		1.7739	1.7739	2.4389	3.7256	4.0188
H6	1.0903	2.1310	3.2124	2.6275	1.7739		1.7625	3.5057	4.1201	3.5044
H7	1.0903	2.1310	3.2124	2.6275	1.7739	1.7625		3.5057	4.1201	3.5044
H8	2.7538	2.0944	1.0773	3.3529	2.4389	3.5057	3.5057		1.8488	3.4953
H9	3.4957	2.1121	1.0815	2.6749	3.7256	4.1201	4.1201	1.8488		2.2998
H10	3.1923	1.9050	2.4256	0.9591	4.0188	3.5044	3.5044	3.4953	2.2998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.168	C1	C2	O4	110.887
C2	C1	H5	110.659	C2	C1	H6	110.024
C2	C1	H7	110.024	C2	C3	H8	120.386
C2	C3	H9	121.783	C2	O4	H10	108.527
C3	C2	O4	123.946	H5	C1	H6	109.112
H5	C1	H7	109.112	H6	C1	H7	107.853
H8	C3	H9	117.830

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

using model chemistry: MP3/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: MP3/TZVP

States and conformations

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