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	hartrees
Energy at 0K	-227.858430
Energy at 298.15K	-227.863397
Nuclear repulsion energy	120.730756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4125	3748	91.94
2	A'	3143	2856	89.67
3	A'	3110	2826	34.72
4	A'	1995	1812	217.56
5	A'	1612	1465	10.70
6	A'	1574	1430	39.52
7	A'	1517	1379	21.68
8	A'	1392	1265	61.21
9	A'	1247	1133	100.53
10	A'	931	846	46.94
11	A'	818	743	21.79
12	A'	306	278	22.36
13	A"	3157	2869	29.85
14	A"	1376	1250	0.32
15	A"	1231	1119	0.19
16	A"	804	731	0.47
17	A"	351	319	104.93
18	A"	186	169	13.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.920	0.000
C2	0.914	-0.274	0.000
O3	-1.334	0.573	0.000
O4	0.516	-1.386	0.000
H5	-1.409	-0.368	0.000
H6	0.243	1.522	0.874
H7	0.243	1.522	-0.874
H8	1.985	-0.051	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5036	1.3789	2.3633	1.9092	1.0887	1.0887	2.2104
C2	1.5036		2.4020	1.1811	2.3248	2.1069	2.1069	1.0944
O3	1.3789	2.4020		2.6943	0.9431	2.0384	2.0384	3.3777
O4	2.3633	1.1811	2.6943		2.1780	3.0490	3.0490	1.9848
H5	1.9092	2.3248	0.9431	2.1780		2.6584	2.6584	3.4092
H6	1.0887	2.1069	2.0384	3.0490	2.6584		1.7477	2.5049
H7	1.0887	2.1069	2.0384	3.0490	2.6584	1.7477		2.5049
H8	2.2104	1.0944	3.3777	1.9848	3.4092	2.5049	2.5049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.907	C1	C2	H8	115.699
C1	O3	H5	109.169	C2	C1	O3	112.809
C2	C1	H6	107.656	C2	C1	H7	107.656
O3	C1	H6	110.846	O3	C1	H7	110.846
O4	C2	H8	121.394	H6	C1	H7	106.765

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.324
2	C	0.563
3	O	-0.802
4	O	-0.759
5	H	0.281
6	H	0.134
7	H	0.134
8	H	0.125

	x	y	z	Total
	2.048	1.677	0.000	2.648
CHELPG
AIM
ESP

	x	y	z
x	4.733	0.178	0.000
y	0.178	5.136	0.000
z	0.000	0.000	3.558

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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