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	hartrees
Energy at 0K	-192.623479
Energy at 298.15K	-192.629846
HF Energy	-191.951422
Nuclear repulsion energy	119.471025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3803	3670
2	A'	3283	3168
3	A'	3180	3069
4	A'	3172	3062
5	A'	3065	2958
6	A'	1729	1668
7	A'	1485	1433
8	A'	1457	1406
9	A'	1416	1367
10	A'	1373	1325
11	A'	1224	1181
12	A'	1020	984
13	A'	976	942
14	A'	867	837
15	A'	469	452
16	A'	398	384
17	A"	3143	3034
18	A"	1466	1415
19	A"	1065	1027
20	A"	772	745
21	A"	721	696
22	A"	494	476
23	A"	443	428
24	A"	179	173

Atom	x (Å)	y (Å)	z (Å)
C1	0.865	-1.136	0.000
C2	0.000	0.096	0.000
C3	0.461	1.369	0.000
O4	-1.332	-0.247	0.000
H5	1.933	-0.869	0.000
H6	0.644	-1.751	0.890
H7	0.644	-1.751	-0.890
H8	1.536	1.567	0.000
H9	-0.222	2.228	0.000
H10	-1.837	0.580	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5049	2.5369	2.3696	1.1014	1.1049	1.1049	2.7845	3.5346	3.2010
C2	1.5049		1.3540	1.3752	2.1608	2.1495	2.1495	2.1266	2.1434	1.9001
C3	2.5369	1.3540		2.4135	2.6788	3.2501	3.2501	1.0930	1.0972	2.4298
O4	2.3696	1.3752	2.4135		3.3240	2.6384	2.6384	3.3931	2.7121	0.9695
H5	1.1014	2.1608	2.6788	3.3240		1.7982	1.7982	2.4679	3.7729	4.0397
H6	1.1049	2.1495	3.2501	2.6384	1.7982		1.7810	3.5494	4.1685	3.5197
H7	1.1049	2.1495	3.2501	2.6384	1.7982	1.7810		3.5494	4.1685	3.5197
H8	2.7845	2.1266	1.0930	3.3931	2.4679	3.5494	3.5494		1.8779	3.5144
H9	3.5346	2.1434	1.0972	2.7121	3.7729	4.1685	4.1685	1.8779		2.3073
H10	3.2010	1.9001	2.4298	0.9695	4.0397	3.5197	3.5197	3.5144	2.3073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.014	C1	C2	O4	110.647
C2	C1	H5	111.066	C2	C1	H6	109.958
C2	C1	H7	109.958	C2	C3	H8	120.336
C2	C3	H9	121.604	C2	O4	H10	106.995
C3	C2	O4	124.339	H5	C1	H6	109.187
H5	C1	H7	109.187	H6	C1	H7	107.405
H8	C3	H9	118.060

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

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVDZ

States and conformations

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