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	hartrees
Energy at 0K	-192.765314
Energy at 298.15K	-192.771644
HF Energy	-191.988199
Nuclear repulsion energy	119.972643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3850	3702
2	A'	3268	3142
3	A'	3163	3041
4	A'	3160	3039
5	A'	3056	2938
6	A'	1718	1652
7	A'	1504	1446
8	A'	1464	1408
9	A'	1426	1371
10	A'	1380	1327
11	A'	1225	1178
12	A'	1029	990
13	A'	978	940
14	A'	866	833
15	A'	474	456
16	A'	402	387
17	A"	3126	3006
18	A"	1483	1426
19	A"	1075	1034
20	A"	749	721
21	A"	721	693
22	A"	481	462
23	A"	408	393
24	A"	178	171

Atom	x (Å)	y (Å)	z (Å)
C1	0.883	-1.118	0.000
C2	0.000	0.096	0.000
C3	0.435	1.370	0.000
O4	-1.324	-0.267	0.000
H5	1.938	-0.833	0.000
H6	0.673	-1.729	0.886
H7	0.673	-1.729	-0.886
H8	1.497	1.587	0.000
H9	-0.257	2.210	0.000
H10	-1.843	0.543	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5010	2.5282	2.3647	1.0936	1.0967	1.0967	2.7740	3.5179	3.1921
C2	1.5010		1.3465	1.3727	2.1496	2.1380	2.1380	2.1131	2.1296	1.8966
C3	2.5282	1.3465		2.4032	2.6672	3.2326	3.2326	1.0840	1.0885	2.4238
O4	2.3647	1.3727	2.4032		3.3108	2.6289	2.6289	3.3760	2.6972	0.9628
H5	1.0936	2.1496	2.6672	3.3108		1.7859	1.7859	2.4599	3.7525	4.0243
H6	1.0967	2.1380	3.2326	2.6289	1.7859		1.7722	3.5304	4.1438	3.5048
H7	1.0967	2.1380	3.2326	2.6289	1.7859	1.7722		3.5304	4.1438	3.5048
H8	2.7740	2.1131	1.0840	3.3760	2.4599	3.5304	3.5304		1.8619	3.4997
H9	3.5179	2.1296	1.0885	2.6972	3.7525	4.1438	4.1438	1.8619		2.3007
H10	3.1921	1.8966	2.4238	0.9628	4.0243	3.5048	3.5048	3.4997	2.3007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.123	C1	C2	O4	110.666
C2	C1	H5	110.910	C2	C1	H6	109.799
C2	C1	H7	109.799	C2	C3	H8	120.398
C2	C3	H9	121.634	C2	O4	H10	107.298
C3	C2	O4	124.211	H5	C1	H6	109.241
H5	C1	H7	109.241	H6	C1	H7	107.789
H8	C3	H9	117.969

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

using model chemistry: MP4=FULL/6-311G**

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/6-311G**

States and conformations

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