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	hartrees
Energy at 0K	-227.763058
Energy at 298.15K
HF Energy	-227.763058
Nuclear repulsion energy	120.546113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4055	3643	88.67
2	A'	3204	2878	105.77
3	A'	3179	2857	18.19
4	A'	2021	1816	189.45
5	A'	1647	1480	4.17
6	A'	1599	1437	74.25
7	A'	1536	1380	18.94
8	A'	1417	1273	71.47
9	A'	1254	1127	89.74
10	A'	943	848	46.59
11	A'	820	737	22.65
12	A'	322	289	23.38
13	A"	3213	2887	44.80
14	A"	1377	1238	1.20
15	A"	1238	1112	0.06
16	A"	817	734	2.33
17	A"	348	313	117.68
18	A"	145	130	21.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.929	0.000
C2	0.919	-0.266	0.000
O3	-1.333	0.558	0.000
O4	0.510	-1.383	0.000
H5	-1.381	-0.392	0.000
H6	0.234	1.534	0.874
H7	0.234	1.534	-0.874
H8	1.990	-0.053	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5073	1.3839	2.3668	1.9105	1.0888	1.0888	2.2192
C2	1.5073		2.3985	1.1890	2.3034	2.1156	2.1156	1.0925
O3	1.3839	2.3985		2.6767	0.9509	2.0426	2.0426	3.3795
O4	2.3668	1.1890	2.6767		2.1350	3.0576	3.0576	1.9901
H5	1.9105	2.3034	0.9509	2.1350		2.6608	2.6608	3.3885
H6	1.0888	2.1156	2.0426	3.0576	2.6608		1.7484	2.5239
H7	1.0888	2.1156	2.0426	3.0576	2.6608	1.7484		2.5239
H8	2.2192	1.0925	3.3795	1.9901	3.3885	2.5239	2.5239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.316	C1	C2	H8	116.300
C1	O3	H5	108.400	C2	C1	O3	112.038
C2	C1	H6	108.071	C2	C1	H7	108.071
O3	C1	H6	110.825	O3	C1	H7	110.825
O4	C2	H8	121.384	H6	C1	H7	106.809

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

using model chemistry: HF/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	-0.049
2	C	0.290
3	O	-0.745
4	O	-0.486
5	H	0.471
6	H	0.178
7	H	0.178
8	H	0.162

	x	y	z	Total
	2.217	1.477	0.000	2.664
CHELPG
AIM
ESP

	x	y	z
x	3.874	0.332	0.000
y	0.332	4.406	0.000
z	0.000	0.000	2.664

<r²>	72.413
(<r²>)^1/2	8.510

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

using model chemistry: HF/6-31G*

States and conformations

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