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	hartrees
Energy at 0K	-228.084285
Energy at 298.15K	-228.089018
HF Energy	-227.649861
Nuclear repulsion energy	116.702639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3581	3426	30.82
2	A'	3066	2934	81.65
3	A'	3048	2916	9.66
4	A'	1634	1563	25.37
5	A'	1567	1499	13.15
6	A'	1451	1388	63.82
7	A'	1431	1369	8.72
8	A'	1313	1257	67.93
9	A'	1064	1018	34.24
10	A'	874	836	59.14
11	A'	744	712	10.63
12	A'	303	290	21.02
13	A"	3092	2959	24.82
14	A"	1243	1189	6.96
15	A"	1141	1092	0.36
16	A"	782	748	0.03
17	A"	347	332	130.10
18	A"	119	114	33.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.959	0.000
C2	0.957	-0.221	0.000
O3	-1.389	0.521	0.000
O4	0.545	-1.413	0.000
H5	-1.406	-0.464	0.000
H6	0.190	1.580	0.889
H7	0.190	1.580	-0.889
H8	2.035	0.005	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5196	1.4567	2.4335	2.0001	1.1013	1.1013	2.2477
C2	1.5196		2.4612	1.2609	2.3756	2.1503	2.1503	1.1012
O3	1.4567	2.4612		2.7350	0.9849	2.0995	2.0995	3.4631
O4	2.4335	1.2609	2.7350		2.1693	3.1423	3.1423	2.0566
H5	2.0001	2.3756	0.9849	2.1693		2.7416	2.7416	3.4727
H6	1.1013	2.1503	2.0995	3.1423	2.7416		1.7784	2.5838
H7	1.1013	2.1503	2.0995	3.1423	2.7416	1.7784		2.5838
H8	2.2477	1.1012	3.4631	2.0566	3.4727	2.5838	2.5838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.857	C1	C2	H8	117.215
C1	O3	H5	108.459	C2	C1	O3	111.554
C2	C1	H6	109.218	C2	C1	H7	109.218
O3	C1	H6	109.541	O3	C1	H7	109.541
O4	C2	H8	120.927	H6	C1	H7	107.686

All results from a given calculation for CHOCH₂OH (hydroxy acetaldehyde)

using model chemistry: MP2/6-31G

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 CHOCH2OH (hydroxy acetaldehyde)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for CHOCH₂OH (hydroxy acetaldehyde)