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	hartrees
Energy at 0K	-227.831531
Energy at 298.15K	-227.836417
Nuclear repulsion energy	120.646259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4119	3742	86.33
2	A'	3158	2869	77.17
3	A'	3123	2837	53.78
4	A'	2004	1821	213.64
5	A'	1616	1468	7.98
6	A'	1579	1435	55.93
7	A'	1516	1378	24.94
8	A'	1397	1269	58.80
9	A'	1247	1133	93.20
10	A'	933	848	48.02
11	A'	821	746	23.84
12	A'	314	285	23.76
13	A"	3178	2887	41.54
14	A"	1368	1243	0.66
15	A"	1231	1118	0.12
16	A"	807	733	1.43
17	A"	336	305	105.44
18	A"	139	126	27.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.924	0.000
C2	0.916	-0.271	0.000
O3	-1.336	0.565	0.000
O4	0.514	-1.383	0.000
H5	-1.391	-0.377	0.000
H6	0.241	1.525	0.876
H7	0.241	1.525	-0.876
H8	1.990	-0.051	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5055	1.3835	2.3635	1.9049	1.0894	1.0894	2.2160
C2	1.5055		2.4026	1.1831	2.3100	2.1086	2.1086	1.0958
O3	1.3835	2.4026		2.6868	0.9441	2.0438	2.0438	3.3828
O4	2.3635	1.1831	2.6868		2.1543	3.0492	3.0492	1.9881
H5	1.9049	2.3100	0.9441	2.1543		2.6554	2.6554	3.3968
H6	1.0894	2.1086	2.0438	3.0492	2.6554		1.7520	2.5117
H7	1.0894	2.1086	2.0438	3.0492	2.6554	1.7520		2.5117
H8	2.2160	1.0958	3.3828	1.9881	3.3968	2.5117	2.5117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.617	C1	C2	H8	115.947
C1	O3	H5	108.365	C2	C1	O3	112.468
C2	C1	H6	107.622	C2	C1	H7	107.622
O3	C1	H6	110.920	O3	C1	H7	110.920
O4	C2	H8	121.436	H6	C1	H7	107.052

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

using model chemistry: HF/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	0.103
2	C	0.224
3	O	-0.477
4	O	-0.391
5	H	0.272
6	H	0.096
7	H	0.096
8	H	0.077

	x	y	z	Total
	2.130	1.533	0.000	2.625
CHELPG
AIM
ESP

	x	y	z
x	4.041	0.332	0.000
y	0.332	4.574	0.000
z	0.000	0.000	2.846

<r²>	72.494
(<r²>)^1/2	8.514

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

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

States and conformations

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