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	hartrees
Energy at 0K	-192.560608
Energy at 298.15K	-192.566923
HF Energy	-191.952816
Nuclear repulsion energy	120.107742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3844	3616	34.83
2	A'	3356	3156	6.77
3	A'	3245	3052	2.49
4	A'	3243	3050	13.00
5	A'	3127	2941	14.86
6	A'	1746	1642	117.77
7	A'	1539	1448	9.31
8	A'	1491	1403	1.15
9	A'	1451	1365	34.43
10	A'	1379	1297	29.99
11	A'	1214	1142	134.99
12	A'	1046	983	37.60
13	A'	992	933	12.37
14	A'	878	826	10.75
15	A'	479	450	19.39
16	A'	410	386	1.37
17	A"	3213	3022	8.66
18	A"	1514	1424	8.08
19	A"	1088	1023	0.45
20	A"	747	703	82.53
21	A"	723	680	1.53
22	A"	475	447	4.52
23	A"	396	372	114.44
24	A"	173	163	2.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.965	-1.043	0.000
C2	0.000	0.096	0.000
C3	0.325	1.400	0.000
O4	-1.298	-0.371	0.000
H5	1.989	-0.677	0.000
H6	0.807	-1.665	0.881
H7	0.807	-1.665	-0.881
H8	1.362	1.697	0.000
H9	-0.427	2.177	0.000
H10	-1.904	0.384	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4936	2.5252	2.3607	1.0873	1.0900	1.0900	2.7688	3.5084	3.2045
C2	1.4936		1.3431	1.3791	2.1343	2.1287	2.1287	2.1015	2.1241	1.9253
C3	2.5252	1.3431		2.4017	2.6609	3.2252	3.2252	1.0781	1.0818	2.4497
O4	2.3607	1.3791	2.4017		3.3009	2.6234	2.6234	3.3686	2.6929	0.9681
H5	1.0873	2.1343	2.6609	3.3009		1.7747	1.7747	2.4558	3.7394	4.0349
H6	1.0900	2.1287	3.2252	2.6234	1.7747		1.7619	3.5199	4.1309	3.5107
H7	1.0900	2.1287	3.2252	2.6234	1.7747	1.7619		3.5199	4.1309	3.5107
H8	2.7688	2.1015	1.0781	3.3686	2.4558	3.5199	3.5199		1.8515	3.5196
H9	3.5084	2.1241	1.0818	2.6929	3.7394	4.1309	4.1309	1.8515		2.3235
H10	3.2045	1.9253	2.4497	0.9681	4.0349	3.5107	3.5107	3.5196	2.3235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.709	C1	C2	O4	110.463
C2	C1	H5	110.590	C2	C1	H6	109.986
C2	C1	H7	109.986	C2	C3	H8	120.048
C2	C3	H9	121.941	C2	O4	H10	108.968
C3	C2	O4	123.828	H5	C1	H6	109.192
H5	C1	H7	109.192	H6	C1	H7	107.842
H8	C3	H9	118.011

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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