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	hartrees
Energy at 0K	-226.907180
Energy at 298.15K	-226.912161
HF Energy	-226.479036
Nuclear repulsion energy	117.299051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3433	3277	24.39
2	A'	3062	2923	48.19
3	A'	3041	2903	48.20
4	A'	1632	1558	9.27
5	A'	1593	1521	13.64
6	A'	1489	1421	110.76
7	A'	1439	1374	8.50
8	A'	1330	1270	48.08
9	A'	1049	1001	32.69
10	A'	839	801	42.86
11	A'	758	723	7.44
12	A'	319	305	21.92
13	A"	3086	2946	29.10
14	A"	1259	1202	7.99
15	A"	1150	1098	0.17
16	A"	803	767	0.09
17	A"	455	435	105.52
18	A"	187	178	9.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.973	0.000
C2	0.955	-0.221	0.000
O3	-1.378	0.497	0.000
O4	0.517	-1.396	0.000
H5	-1.294	-0.499	0.000
H6	0.209	1.586	0.888
H7	0.209	1.586	-0.888
H8	2.029	0.008	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5287	1.4577	2.4248	1.9591	1.0989	1.0989	2.2467
C2	1.5287		2.4409	1.2544	2.2659	2.1468	2.1468	1.0980
O3	1.4577	2.4409		2.6787	0.9991	2.1192	2.1192	3.4418
O4	2.4248	1.2544	2.6787		2.0211	3.1265	3.1265	2.0634
H5	1.9591	2.2659	0.9991	2.0211		2.7183	2.7183	3.3610
H6	1.0989	2.1468	2.1192	3.1265	2.7183		1.7759	2.5672
H7	1.0989	2.1468	2.1192	3.1265	2.7183	1.7759		2.5672
H8	2.2467	1.0980	3.4418	2.0634	3.3610	2.5672	2.5672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	120.896	C1	C2	H8	116.638
C1	O3	H5	104.215	C2	C1	O3	109.617
C2	C1	H6	108.467	C2	C1	H7	108.467
O3	C1	H6	111.197	O3	C1	H7	111.197
O4	C2	H8	122.466	H6	C1	H7	107.807

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

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 CHOCH2OH (hydroxy acetaldehyde)

using model chemistry: MP2/3-21G

States and conformations

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