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	hartrees
Energy at 0K	-228.960018
Energy at 298.15K	-228.964877
Nuclear repulsion energy	118.056398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	3411	25.27
2	A'	3031	2915	91.68
3	A'	3004	2890	6.44
4	A'	1717	1652	91.08
5	A'	1522	1464	15.35
6	A'	1436	1382	54.01
7	A'	1417	1363	29.05
8	A'	1299	1250	67.04
9	A'	1085	1044	51.86
10	A'	876	843	61.62
11	A'	754	725	9.67
12	A'	294	283	24.48
13	A"	3032	2917	25.19
14	A"	1239	1192	6.14
15	A"	1118	1076	0.02
16	A"	761	733	0.01
17	A"	386	371	132.98
18	A"	181	174	17.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.944	0.000
C2	0.946	-0.229	0.000
O3	-1.370	0.527	0.000
O4	0.529	-1.396	0.000
H5	-1.391	-0.458	0.000
H6	0.211	1.567	0.883
H7	0.211	1.567	-0.883
H8	2.024	-0.005	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5067	1.4322	2.3989	1.9748	1.1014	1.1014	2.2350
C2	1.5067		2.4360	1.2387	2.3480	2.1323	2.1323	1.1011
O3	1.4322	2.4360		2.7027	0.9848	2.0888	2.0888	3.4351
O4	2.3989	1.2387	2.7027		2.1374	3.1083	3.1083	2.0415
H5	1.9748	2.3480	0.9848	2.1374		2.7291	2.7291	3.4447
H6	1.1014	2.1323	2.0888	3.1083	2.7291		1.7663	2.5567
H7	1.1014	2.1323	2.0888	3.1083	2.7291	1.7663		2.5567
H8	2.2350	1.1011	3.4351	2.0415	3.4447	2.5567	2.5567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.493	C1	C2	H8	117.119
C1	O3	H5	108.158	C2	C1	O3	111.941
C2	C1	H6	108.683	C2	C1	H7	108.683
O3	C1	H6	110.379	O3	C1	H7	110.379
O4	C2	H8	121.388	H6	C1	H7	106.607

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

using model chemistry: B3LYP/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	-0.056
2	C	0.192
3	O	-0.610
4	O	-0.385
5	H	0.378
6	H	0.172
7	H	0.172
8	H	0.137

	x	y	z	Total
	2.321	1.413	0.000	2.718
CHELPG
AIM
ESP

	x	y	z
x	4.325	0.325	0.000
y	0.325	4.904	0.000
z	0.000	0.000	2.515

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-31G

States and conformations

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