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	hartrees
Energy at 0K	-192.566327
Energy at 298.15K	-192.572683
HF Energy	-191.929722
Nuclear repulsion energy	119.784284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3717	3574
2	A'	3273	3148
3	A'	3175	3053
4	A'	3170	3048
5	A'	3067	2949
6	A'	1746	1679
7	A'	1540	1480
8	A'	1491	1433
9	A'	1453	1397
10	A'	1398	1344
11	A'	1234	1187
12	A'	1044	1004
13	A'	991	953
14	A'	873	839
15	A'	479	461
16	A'	405	390
17	A"	3138	3018
18	A"	1518	1460
19	A"	1096	1054
20	A"	765	735
21	A"	727	699
22	A"	489	470
23	A"	439	422
24	A"	178	171

Atom	x (Å)	y (Å)	z (Å)
C1	0.946	-1.064	0.000
C2	0.000	0.097	0.000
C3	0.352	1.395	0.000
O4	-1.306	-0.348	0.000
H5	1.985	-0.719	0.000
H6	0.775	-1.690	0.885
H7	0.775	-1.690	-0.885
H8	1.398	1.684	0.000
H9	-0.386	2.196	0.000
H10	-1.892	0.432	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4983	2.5295	2.3636	1.0947	1.0975	1.0975	2.7850	3.5222	3.2083
C2	1.4983		1.3440	1.3797	2.1469	2.1398	2.1398	2.1146	2.1342	1.9209
C3	2.5295	1.3440		2.4050	2.6714	3.2366	3.2366	1.0853	1.0896	2.4412
O4	2.3636	1.3797	2.4050		3.3123	2.6300	2.6300	3.3822	2.7055	0.9752
H5	1.0947	2.1469	2.6714	3.3123		1.7860	1.7860	2.4741	3.7582	4.0444
H6	1.0975	2.1398	3.2366	2.6300	1.7860		1.7708	3.5431	4.1514	3.5212
H7	1.0975	2.1398	3.2366	2.6300	1.7860	1.7708		3.5431	4.1514	3.5212
H8	2.7850	2.1146	1.0853	3.3822	2.4741	3.5431	3.5431		1.8558	3.5197
H9	3.5222	2.1342	1.0896	2.7055	3.7582	4.1514	4.1514	1.8558		2.3195
H10	3.2083	1.9209	2.4412	0.9752	4.0444	3.5212	3.5212	3.5197	2.3195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.642	C1	C2	O4	110.356
C2	C1	H5	110.817	C2	C1	H6	110.084
C2	C1	H7	110.084	C2	C3	H8	120.654
C2	C3	H9	122.207	C2	O4	H10	108.084
C3	C2	O4	124.002	H5	C1	H6	109.115
H5	C1	H7	109.115	H6	C1	H7	107.557
H8	C3	H9	117.138

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

using model chemistry: MP4=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: MP4=FULL/6-31G*

States and conformations

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