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	hartrees
Energy at 0K	-192.261627
Energy at 298.15K	-192.267886
HF Energy	-191.882825
Nuclear repulsion energy	117.406710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3641	3507	18.69
2	A'	3277	3156	15.97
3	A'	3159	3042	4.33
4	A'	3153	3037	24.15
5	A'	3036	2924	20.41
6	A'	1684	1622	84.48
7	A'	1539	1483	14.30
8	A'	1494	1439	3.85
9	A'	1464	1410	21.99
10	A'	1361	1311	13.26
11	A'	1190	1146	139.30
12	A'	1038	1000	33.23
13	A'	975	939	29.64
14	A'	821	790	23.30
15	A'	462	445	20.50
16	A'	396	381	2.59
17	A"	3132	3017	21.66
18	A"	1514	1458	10.67
19	A"	1111	1070	1.13
20	A"	807	777	113.77
21	A"	717	690	4.98
22	A"	466	449	5.55
23	A"	409	394	165.86
24	A"	165	158	3.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.136	-0.905	0.000
C2	0.000	0.105	0.000
C3	0.114	1.468	0.000
O4	-1.259	-0.579	0.000
H5	2.109	-0.387	0.000
H6	1.069	-1.549	0.893
H7	1.069	-1.549	-0.893
H8	1.099	1.935	0.000
H9	-0.760	2.127	0.000
H10	-2.017	0.051	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5200	2.5832	2.4168	1.1018	1.1035	1.1035	2.8397	3.5757	3.2944
C2	1.5200		1.3674	1.4327	2.1656	2.1626	2.1626	2.1342	2.1601	2.0174
C3	2.5832	1.3674		2.4646	2.7241	3.2882	3.2882	1.0899	1.0945	2.5586
O4	2.4168	1.4327	2.4646		3.3730	2.6747	2.6747	3.4464	2.7523	0.9858
H5	1.1018	2.1656	2.7241	3.3730		1.7974	1.7974	2.5322	3.8145	4.1487
H6	1.1035	2.1626	3.2882	2.6747	1.7974		1.7858	3.5970	4.2021	3.5884
H7	1.1035	2.1626	3.2882	2.6747	1.7974	1.7858		3.5970	4.2021	3.5884
H8	2.8397	2.1342	1.0899	3.4464	2.5322	3.5970	3.5970		1.8681	3.6406
H9	3.5757	2.1601	1.0945	2.7523	3.8145	4.2021	4.2021	1.8681		2.4273
H10	3.2944	2.0174	2.5586	0.9858	4.1487	3.5884	3.5884	3.6406	2.4273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.850	C1	C2	O4	109.832
C2	C1	H5	110.361	C2	C1	H6	110.024
C2	C1	H7	110.024	C2	C3	H8	120.152
C2	C3	H9	122.284	C2	O4	H10	111.717
C3	C2	O4	123.317	H5	C1	H6	109.180
H5	C1	H7	109.180	H6	C1	H7	108.029
H8	C3	H9	117.564

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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