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	hartrees
Energy at 0K	-228.433572
Energy at 298.15K	-228.438506
HF Energy	-227.783976
Nuclear repulsion energy	119.301842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3740	3554	74.97
2	A'	3044	2893	63.74
3	A'	3010	2861	67.71
4	A'	1784	1695	85.39
5	A'	1496	1422	23.80
6	A'	1466	1393	60.77
7	A'	1399	1330	16.82
8	A'	1320	1254	32.88
9	A'	1160	1102	71.66
10	A'	897	853	44.55
11	A'	773	734	10.07
12	A'	298	283	23.53
13	A"	3082	2929	31.69
14	A"	1258	1196	2.16
15	A"	1116	1061	0.59
16	A"	741	704	0.10
17	A"	412	391	75.38
18	A"	190	181	6.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.941	0.000
C2	0.928	-0.252	0.000
O3	-1.343	0.546	0.000
O4	0.494	-1.394	0.000
H5	-1.298	-0.426	0.000
H6	0.250	1.557	0.887
H7	0.250	1.557	-0.887
H8	2.023	-0.039	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5118	1.4003	2.3867	1.8854	1.1088	1.1088	2.2477
C2	1.5118		2.4074	1.2207	2.2325	2.1264	2.1264	1.1154
O3	1.4003	2.4074		2.6722	0.9734	2.0855	2.0855	3.4165
O4	2.3867	1.2207	2.6722		2.0370	3.0913	3.0913	2.0420
H5	1.8854	2.2325	0.9734	2.0370		2.6681	2.6681	3.3431
H6	1.1088	2.1264	2.0855	3.0913	2.6681		1.7745	2.5452
H7	1.1088	2.1264	2.0855	3.0913	2.6681	1.7745		2.5452
H8	2.2477	1.1154	3.4165	2.0420	3.3431	2.5452	2.5452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.359	C1	C2	H8	116.838
C1	O3	H5	103.718	C2	C1	O3	111.467
C2	C1	H6	107.476	C2	C1	H7	107.476
O3	C1	H6	111.919	O3	C1	H7	111.919
O4	C2	H8	121.803	H6	C1	H7	106.289

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

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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