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	hartrees
Energy at 0K	-229.110140
Energy at 298.15K	-229.115026
Nuclear repulsion energy	119.554446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3710	3587	59.71
2	A'	2968	2870	59.44
3	A'	2918	2821	79.07
4	A'	1802	1742	149.66
5	A'	1479	1430	18.69
6	A'	1442	1395	62.21
7	A'	1391	1345	25.17
8	A'	1299	1256	43.58
9	A'	1130	1092	78.11
10	A'	863	834	51.60
11	A'	767	742	10.07
12	A'	294	284	23.99
13	A"	2980	2881	29.08
14	A"	1244	1203	2.65
15	A"	1109	1072	0.13
16	A"	725	701	0.09
17	A"	393	380	88.52
18	A"	191	184	8.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.932	0.000
C2	0.927	-0.257	0.000
O3	-1.348	0.553	0.000
O4	0.508	-1.389	0.000
H5	-1.349	-0.416	0.000
H6	0.246	1.546	0.882
H7	0.246	1.546	-0.882
H8	2.014	-0.040	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5083	1.4001	2.3761	1.9071	1.1020	1.1020	2.2364
C2	1.5083		2.4153	1.2069	2.2816	2.1195	2.1195	1.1086
O3	1.4001	2.4153		2.6863	0.9695	2.0743	2.0743	3.4141
O4	2.3761	1.2069	2.6863		2.0960	3.0754	3.0754	2.0226
H5	1.9071	2.2816	0.9695	2.0960		2.6775	2.6775	3.3841
H6	1.1020	2.1195	2.0743	3.0754	2.6775		1.7636	2.5332
H7	1.1020	2.1195	2.0743	3.0754	2.6775	1.7636		2.5332
H8	2.2364	1.1086	3.4141	2.0226	3.3841	2.5332	2.5332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.715	C1	C2	H8	116.606
C1	O3	H5	105.750	C2	C1	O3	112.241
C2	C1	H6	107.563	C2	C1	H7	107.563
O3	C1	H6	111.440	O3	C1	H7	111.440
O4	C2	H8	121.679	H6	C1	H7	106.297

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	0.004
2	C	0.120
3	O	-0.392
4	O	-0.292
5	H	0.243
6	H	0.116
7	H	0.116
8	H	0.085

	x	y	z	Total
	1.968	1.323	0.000	2.371
CHELPG
AIM
ESP

	x	y	z
x	4.699	0.234	0.000
y	0.234	5.081	0.000
z	0.000	0.000	3.041

<r²>	73.049
(<r²>)^1/2	8.547

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

using model chemistry: B3LYP/6-311G**

States and conformations

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