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	hartrees
Energy at 0K	-228.044612
Energy at 298.15K	-228.049389
Nuclear repulsion energy	117.833991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3750	3507	37.51
2	A'	3123	2921	67.33
3	A'	3093	2893	8.48
4	A'	1787	1671	75.76
5	A'	1592	1489	9.33
6	A'	1489	1392	55.75
7	A'	1473	1377	11.04
8	A'	1346	1259	76.54
9	A'	1122	1049	45.30
10	A'	907	849	55.30
11	A'	768	718	16.62
12	A'	309	289	22.31
13	A"	3129	2926	25.30
14	A"	1281	1198	5.38
15	A"	1170	1094	0.30
16	A"	803	751	0.02
17	A"	336	315	145.98
18	A"	119	111	38.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.948	0.000
C2	0.949	-0.231	0.000
O3	-1.376	0.526	0.000
O4	0.541	-1.398	0.000
H5	-1.430	-0.445	0.000
H6	0.195	1.566	0.885
H7	0.195	1.566	-0.885
H8	2.022	-0.008	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5135	1.4388	2.4077	1.9962	1.0971	1.0971	2.2364
C2	1.5135		2.4445	1.2358	2.3879	2.1406	2.1406	1.0963
O3	1.4388	2.4445		2.7162	0.9727	2.0816	2.0816	3.4392
O4	2.4077	1.2358	2.7162		2.1894	3.1130	3.1130	2.0309
H5	1.9962	2.3879	0.9727	2.1894		2.7331	2.7331	3.4791
H6	1.0971	2.1406	2.0816	3.1130	2.7331		1.7699	2.5685
H7	1.0971	2.1406	2.0816	3.1130	2.7331	1.7699		2.5685
H8	2.2364	1.0963	3.4392	2.0309	3.4791	2.5685	2.5685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.951	C1	C2	H8	117.052
C1	O3	H5	110.237	C2	C1	O3	111.762
C2	C1	H6	109.120	C2	C1	H7	109.120
O3	C1	H6	109.603	O3	C1	H7	109.603
O4	C2	H8	120.998	H6	C1	H7	107.536

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

using model chemistry: CID/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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Number	Element	Mulliken
1	C	-0.036
2	C	0.291
3	O	-0.754
4	O	-0.522
5	H	0.440
6	H	0.198
7	H	0.198
8	H	0.183

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: CID/6-31G

States and conformations

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