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	hartrees
Energy at 0K	-192.639052
Energy at 298.15K	-192.645472
HF Energy	-191.965604
Nuclear repulsion energy	119.665734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3888	3888	36.81
2	A'	3300	3300	8.75
3	A'	3195	3195	3.75
4	A'	3183	3183	14.48
5	A'	3074	3074	15.75
6	A'	1756	1756	132.47
7	A'	1491	1491	4.74
8	A'	1468	1468	0.87
9	A'	1419	1419	44.82
10	A'	1371	1371	5.56
11	A'	1236	1236	143.97
12	A'	1026	1026	29.66
13	A'	983	983	11.24
14	A'	873	873	9.03
15	A'	478	478	17.83
16	A'	407	407	1.53
17	A"	3145	3145	11.52
18	A"	1470	1470	6.65
19	A"	1067	1067	0.10
20	A"	829	829	61.82
21	A"	727	727	0.58
22	A"	495	495	3.25
23	A"	426	426	97.91
24	A"	188	188	1.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.925	-1.089	0.000
C2	0.000	0.096	0.000
C3	0.384	1.388	0.000
O4	-1.315	-0.312	0.000
H5	1.973	-0.763	0.000
H6	0.738	-1.711	0.889
H7	0.738	-1.711	-0.889
H8	1.443	1.643	0.000
H9	-0.342	2.204	0.000
H10	-1.884	0.465	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5034	2.5352	2.3715	1.0977	1.1013	1.1013	2.7812	3.5288	3.2099
C2	1.5034		1.3477	1.3772	2.1516	2.1452	2.1452	2.1157	2.1359	1.9194
C3	2.5352	1.3477		2.4037	2.6733	3.2434	3.2434	1.0888	1.0928	2.4487
O4	2.3715	1.3772	2.4037		3.3191	2.6395	2.6395	3.3809	2.6980	0.9622
H5	1.0977	2.1516	2.6733	3.3191		1.7933	1.7933	2.4635	3.7629	4.0471
H6	1.1013	2.1452	3.2434	2.6395	1.7933		1.7788	3.5413	4.1580	3.5213
H7	1.1013	2.1452	3.2434	2.6395	1.7933	1.7788		3.5413	4.1580	3.5213
H8	2.7812	2.1157	1.0888	3.3809	2.4635	3.5413	3.5413		1.8706	3.5291
H9	3.5288	2.1359	1.0928	2.6980	3.7629	4.1580	4.1580	1.8706		2.3247
H10	3.2099	1.9194	2.4487	0.9622	4.0471	3.5213	3.5213	3.5291	2.3247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.456	C1	C2	O4	110.750
C2	C1	H5	110.652	C2	C1	H6	109.930
C2	C1	H7	109.930	C2	C3	H8	120.154
C2	C3	H9	121.788	C2	O4	H10	108.975
C3	C2	O4	123.795	H5	C1	H6	109.274
H5	C1	H7	109.274	H6	C1	H7	107.726
H8	C3	H9	118.058

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

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