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	hartrees
Energy at 0K	-227.657880
Energy at 298.15K	-227.662999
HF Energy	-227.657880
Nuclear repulsion energy	118.724025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3452	3269	37.88
2	A'	3074	2912	59.08
3	A'	3051	2890	8.02
4	A'	1760	1667	63.20
5	A'	1557	1474	9.80
6	A'	1478	1400	110.53
7	A'	1427	1352	13.01
8	A'	1323	1253	61.56
9	A'	1102	1044	45.35
10	A'	864	818	42.35
11	A'	772	731	10.62
12	A'	334	316	23.98
13	A"	3077	2915	18.58
14	A"	1259	1192	7.41
15	A"	1140	1080	0.00
16	A"	807	764	0.41
17	A"	505	478	123.78
18	A"	236	223	3.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.961	0.000
C2	-0.946	0.226	0.000
O3	1.356	-0.493	0.000
O4	-0.500	1.373	0.000
H5	1.287	0.505	0.000
H6	-0.219	-1.574	0.886
H7	-0.219	-1.574	-0.886
H8	-2.021	0.008	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5183	1.4347	2.3879	1.9516	1.0994	1.0994	2.2416
C2	1.5183		2.4114	1.2307	2.2505	2.1341	2.1341	1.0970
O3	1.4347	2.4114		2.6320	1.0003	2.1060	2.1060	3.4138
O4	2.3879	1.2307	2.6320		1.9872	3.0906	3.0906	2.0436
H5	1.9516	2.2505	1.0003	1.9872		2.7162	2.7162	3.3454
H6	1.0994	2.1341	2.1060	3.0906	2.7162		1.7727	2.5565
H7	1.0994	2.1341	2.1060	3.0906	2.7162	1.7727		2.5565
H8	2.2416	1.0970	3.4138	2.0436	3.3454	2.5565	2.5565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	120.243	C1	C2	H8	117.069
C1	O3	H5	105.144	C2	C1	O3	109.457
C2	C1	H6	108.161	C2	C1	H7	108.161
O3	C1	H6	111.736	O3	C1	H7	111.736
O4	C2	H8	122.687	H6	C1	H7	107.454

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.201
2	C	0.203
3	O	-0.592
4	O	-0.426
5	H	0.366
6	H	0.224
7	H	0.224
8	H	0.201

	x	y	z	Total
	-2.488	-1.166	0.000	2.748
CHELPG
AIM
ESP

	x	y	z
x	3.862	0.353	0.000
y	0.353	4.402	0.000
z	0.000	0.000	2.257

<r²>	72.877
(<r²>)^1/2	8.537

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

using model chemistry: M06-2X/3-21G*

States and conformations

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