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	hartrees
Energy at 0K	-192.579148
Energy at 298.15K	-192.585479
HF Energy	-191.953004
Nuclear repulsion energy	120.234036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3846	3612	35.06
2	A'	3359	3155	6.64
3	A'	3248	3051	4.24
4	A'	3246	3049	10.97
5	A'	3129	2939	14.66
6	A'	1749	1643	118.66
7	A'	1542	1448	9.37
8	A'	1494	1403	1.25
9	A'	1454	1365	34.98
10	A'	1380	1296	30.36
11	A'	1215	1141	135.02
12	A'	1047	983	37.70
13	A'	994	933	12.26
14	A'	879	826	10.64
15	A'	480	451	19.40
16	A'	411	386	1.38
17	A"	3217	3021	8.45
18	A"	1516	1424	8.24
19	A"	1089	1023	0.39
20	A"	753	708	83.08
21	A"	725	681	1.36
22	A"	479	450	4.31
23	A"	399	375	114.91
24	A"	176	165	2.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.964	-1.042	0.000
C2	0.000	0.096	0.000
C3	0.325	1.398	0.000
O4	-1.296	-0.371	0.000
H5	1.987	-0.677	0.000
H6	0.806	-1.664	0.880
H7	0.806	-1.664	-0.880
H8	1.360	1.695	0.000
H9	-0.426	2.175	0.000
H10	-1.903	0.383	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4919	2.5223	2.3579	1.0861	1.0888	1.0888	2.7659	3.5047	3.2016
C2	1.4919		1.3417	1.3776	2.1324	2.1263	2.1263	2.0994	2.1221	1.9242
C3	2.5223	1.3417		2.3993	2.6585	3.2216	3.2216	1.0770	1.0808	2.4483
O4	2.3579	1.3776	2.3993		3.2975	2.6201	2.6201	3.3653	2.6905	0.9675
H5	1.0861	2.1324	2.6585	3.2975		1.7727	1.7727	2.4538	3.7360	4.0318
H6	1.0888	2.1263	3.2216	2.6201	1.7727		1.7599	3.5162	4.1265	3.5072
H7	1.0888	2.1263	3.2216	2.6201	1.7727	1.7599		3.5162	4.1265	3.5072
H8	2.7659	2.0994	1.0770	3.3653	2.4538	3.5162	3.5162		1.8496	3.5172
H9	3.5047	2.1221	1.0808	2.6905	3.7360	4.1265	4.1265	1.8496		2.3225
H10	3.2016	1.9242	2.4483	0.9675	4.0318	3.5072	3.5072	3.5172	2.3225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.705	C1	C2	O4	110.451
C2	C1	H5	110.627	C2	C1	H6	109.979
C2	C1	H7	109.979	C2	C3	H8	120.056
C2	C3	H9	121.955	C2	O4	H10	109.025
C3	C2	O4	123.844	H5	C1	H6	109.185
H5	C1	H7	109.185	H6	C1	H7	107.830
H8	C3	H9	117.989

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

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

States and conformations

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