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	hartrees
Energy at 0K	-228.657690
Energy at 298.15K
HF Energy	-227.856225
Nuclear repulsion energy	119.796502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3737	3549	73.51
2	A'	3043	2889	55.54
3	A'	3008	2856	56.76
4	A'	1768	1679	89.34
5	A'	1502	1426	14.16
6	A'	1457	1384	54.36
7	A'	1405	1334	15.85
8	A'	1314	1248	43.88
9	A'	1152	1094	76.48
10	A'	891	846	47.36
11	A'	770	731	10.33
12	A'	294	279	23.06
13	A"	3078	2923	16.52
14	A"	1267	1203	2.08
15	A"	1117	1061	0.64
16	A"	738	701	0.00
17	A"	424	403	81.43
18	A"	213	203	2.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.936	0.000
C2	0.925	-0.248	0.000
O3	-1.342	0.543	0.000
O4	0.503	-1.387	0.000
H5	-1.317	-0.426	0.000
H6	0.239	1.544	0.879
H7	0.239	1.544	-0.879
H8	2.005	-0.034	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5020	1.3985	2.3767	1.8937	1.0955	1.0955	2.2274
C2	1.5020		2.4010	1.2152	2.2486	2.1105	2.1105	1.1011
O3	1.3985	2.4010		2.6700	0.9687	2.0675	2.0675	3.3967
O4	2.3767	1.2152	2.6700		2.0579	3.0717	3.0717	2.0220
H5	1.8937	2.2486	0.9687	2.0579		2.6592	2.6592	3.3447
H6	1.0955	2.1105	2.0675	3.0717	2.6592		1.7583	2.5266
H7	1.0955	2.1105	2.0675	3.0717	2.6592	1.7583		2.5266
H8	2.2274	1.1011	3.3967	2.0220	3.3447	2.5266	2.5266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.656	C1	C2	H8	116.827
C1	O3	H5	104.797	C2	C1	O3	111.700
C2	C1	H6	107.658	C2	C1	H7	107.658
O3	C1	H6	111.418	O3	C1	H7	111.418
O4	C2	H8	121.516	H6	C1	H7	106.746

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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