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	hartrees
Energy at 0K	-228.546017
Energy at 298.15K	-228.550798
HF Energy	-227.816107
Nuclear repulsion energy	119.441543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3767	3568	45.36
2	A'	3050	2889	51.91
3	A'	3011	2851	72.71
4	A'	1780	1686	85.24
5	A'	1530	1449	11.31
6	A'	1478	1400	79.59
7	A'	1419	1344	14.98
8	A'	1326	1256	54.41
9	A'	1162	1101	76.44
10	A'	892	845	45.74
11	A'	775	734	10.68
12	A'	306	289	22.54
13	A"	3085	2922	25.64
14	A"	1271	1204	3.39
15	A"	1130	1070	0.48
16	A"	743	704	0.02
17	A"	357	339	97.06
18	A"	125	119	25.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.937	0.000
C2	0.928	-0.252	0.000
O3	-1.345	0.550	0.000
O4	0.508	-1.393	0.000
H5	-1.352	-0.416	0.000
H6	0.234	1.548	0.883
H7	0.234	1.548	-0.883
H8	2.014	-0.042	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5082	1.3998	2.3840	1.9120	1.0992	1.0992	2.2390
C2	1.5082		2.4106	1.2151	2.2855	2.1218	2.1218	1.1061
O3	1.3998	2.4106		2.6848	0.9654	2.0666	2.0666	3.4109
O4	2.3840	1.2151	2.6848		2.1009	3.0826	3.0826	2.0227
H5	1.9120	2.2855	0.9654	2.1009		2.6741	2.6741	3.3862
H6	1.0992	2.1218	2.0666	3.0826	2.6741		1.7657	2.5446
H7	1.0992	2.1218	2.0666	3.0826	2.6741	1.7657		2.5446
H8	2.2390	1.1061	3.4109	2.0227	3.3862	2.5446	2.5446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.816	C1	C2	H8	117.012
C1	O3	H5	106.423	C2	C1	O3	111.932
C2	C1	H6	107.904	C2	C1	H7	107.904
O3	C1	H6	111.010	O3	C1	H7	111.010
O4	C2	H8	121.172	H6	C1	H7	106.869

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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