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	hartrees
Energy at 0K	-191.256562
Energy at 298.15K	-191.262970
HF Energy	-190.866247
Nuclear repulsion energy	118.781169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3514	3354	5.96
2	A'	3289	3139	8.50
3	A'	3191	3046	3.93
4	A'	3186	3041	11.93
5	A'	3097	2956	9.35
6	A'	1714	1636	67.53
7	A'	1597	1524	12.69
8	A'	1531	1461	13.37
9	A'	1493	1425	11.63
10	A'	1430	1365	2.09
11	A'	1211	1156	119.63
12	A'	1068	1019	23.52
13	A'	993	948	43.44
14	A'	835	797	7.90
15	A'	475	453	18.18
16	A'	407	389	3.42
17	A"	3162	3018	12.32
18	A"	1577	1505	6.62
19	A"	1147	1094	2.89
20	A"	851	813	90.98
21	A"	738	704	8.25
22	A"	505	482	13.46
23	A"	455	434	135.24
24	A"	155	148	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.969	-1.055	0.000
C2	0.000	0.106	0.000
C3	0.352	1.402	0.000
O4	-1.325	-0.372	0.000
H5	1.999	-0.690	0.000
H6	0.802	-1.675	0.886
H7	0.802	-1.675	-0.886
H8	1.396	1.689	0.000
H9	-0.380	2.205	0.000
H10	-1.948	0.402	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5125	2.5333	2.3937	1.0927	1.0947	1.0947	2.7768	3.5278	3.2605
C2	1.5125		1.3430	1.4088	2.1518	2.1454	2.1454	2.1103	2.1326	1.9700
C3	2.5333	1.3430		2.4418	2.6623	3.2341	3.2341	1.0821	1.0864	2.5080
O4	2.3937	1.4088	2.4418		3.3393	2.6473	2.6473	3.4135	2.7449	0.9935
H5	1.0927	2.1518	2.6623	3.3393		1.7861	1.7861	2.4541	3.7467	4.0950
H6	1.0947	2.1454	3.2341	2.6473	1.7861		1.7722	3.5295	4.1519	3.5583
H7	1.0947	2.1454	3.2341	2.6473	1.7861	1.7722		3.5295	4.1519	3.5583
H8	2.7768	2.1103	1.0821	3.4135	2.4541	3.5295	3.5295		1.8490	3.5825
H9	3.5278	2.1326	1.0864	2.7449	3.7467	4.1519	4.1519	1.8490		2.3891
H10	3.2605	1.9700	2.5080	0.9935	4.0950	3.5583	3.5583	3.5825	2.3891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.937	C1	C2	O4	110.000
C2	C1	H5	110.332	C2	C1	H6	109.713
C2	C1	H7	109.713	C2	C3	H8	120.580
C2	C3	H9	122.415	C2	O4	H10	108.947
C3	C2	O4	125.064	H5	C1	H6	109.479
H5	C1	H7	109.479	H6	C1	H7	108.089
H8	C3	H9	117.004

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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