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	hartrees
Energy at 0K	-192.812420
Energy at 298.15K	-192.818798
HF Energy	-192.008999
Nuclear repulsion energy	120.259030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3839	3661
2	A'	3253	3102
3	A'	3149	3003
4	A'	3145	2999
5	A'	3041	2900
6	A'	1713	1634
7	A'	1501	1431
8	A'	1458	1391
9	A'	1418	1352
10	A'	1363	1300
11	A'	1209	1153
12	A'	1025	977
13	A'	979	934
14	A'	862	822
15	A'	475	453
16	A'	402	384
17	A"	3106	2962
18	A"	1484	1416
19	A"	1068	1018
20	A"	801	764
21	A"	724	691
22	A"	491	469
23	A"	418	399
24	A"	188	179

Atom	x (Å)	y (Å)	z (Å)
C1	0.926	-1.080	0.000
C2	0.000	0.096	0.000
C3	0.376	1.383	0.000
O4	-1.308	-0.316	0.000
H5	1.965	-0.754	0.000
H6	0.744	-1.699	0.882
H7	0.744	-1.699	-0.882
H8	1.425	1.641	0.000
H9	-0.350	2.189	0.000
H10	-1.878	0.459	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4968	2.5235	2.3608	1.0894	1.0930	1.0930	2.7668	3.5091	3.1985
C2	1.4968		1.3406	1.3713	2.1413	2.1341	2.1341	2.1023	2.1219	1.9126
C3	2.5235	1.3406		2.3921	2.6630	3.2268	3.2268	1.0807	1.0849	2.4358
O4	2.3608	1.3713	2.3921		3.3024	2.6269	2.6269	3.3619	2.6819	0.9622
H5	1.0894	2.1413	2.6630	3.3024		1.7787	1.7787	2.4554	3.7446	4.0301
H6	1.0930	2.1341	3.2268	2.6269	1.7787		1.7641	3.5217	4.1343	3.5085
H7	1.0930	2.1341	3.2268	2.6269	1.7787	1.7641		3.5217	4.1343	3.5085
H8	2.7668	2.1023	1.0807	3.3619	2.4554	3.5217	3.5217		1.8579	3.5084
H9	3.5091	2.1219	1.0849	2.6819	3.7446	4.1343	4.1343	1.8579		2.3079
H10	3.1985	1.9126	2.4358	0.9622	4.0301	3.5085	3.5085	3.5084	2.3079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.494	C1	C2	O4	110.723
C2	C1	H5	110.799	C2	C1	H6	110.001
C2	C1	H7	110.001	C2	C3	H8	120.135
C2	C3	H9	121.698	C2	O4	H10	108.832
C3	C2	O4	123.783	H5	C1	H6	109.182
H5	C1	H7	109.182	H6	C1	H7	107.609
H8	C3	H9	118.167

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

using model chemistry: QCISD(T)/6-311+G(3df,2p)

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: QCISD(T)/6-311+G(3df,2p)

States and conformations

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