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	hartrees
Energy at 0K	-229.040567
Energy at 298.15K	-229.045347
Nuclear repulsion energy	118.384071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3496	3488	27.26
2	A'	2883	2876	64.26
3	A'	2818	2811	108.36
4	A'	1717	1712	136.49
5	A'	1450	1446	22.75
6	A'	1411	1408	79.41
7	A'	1356	1352	22.73
8	A'	1264	1261	43.45
9	A'	1073	1071	70.55
10	A'	823	821	52.74
11	A'	741	740	6.26
12	A'	286	285	23.35
13	A"	2885	2878	37.37
14	A"	1205	1202	4.22
15	A"	1067	1064	0.13
16	A"	695	693	0.19
17	A"	383	382	86.78
18	A"	180	180	12.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.939	0.000
C2	0.936	-0.258	0.000
O3	-1.362	0.560	0.000
O4	0.516	-1.403	0.000
H5	-1.367	-0.422	0.000
H6	0.244	1.561	0.887
H7	0.244	1.561	-0.887
H8	2.033	-0.039	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5198	1.4140	2.3981	1.9288	1.1104	1.1104	2.2559
C2	1.5198		2.4402	1.2198	2.3088	2.1392	2.1392	1.1179
O3	1.4140	2.4402		2.7172	0.9826	2.0900	2.0900	3.4477
O4	2.3981	1.2198	2.7172		2.1227	3.1061	3.1061	2.0398
H5	1.9288	2.3088	0.9826	2.1227		2.7045	2.7045	3.4208
H6	1.1104	2.1392	2.0900	3.1061	2.7045		1.7731	2.5589
H7	1.1104	2.1392	2.0900	3.1061	2.7045	1.7731		2.5589
H8	2.2559	1.1179	3.4477	2.0398	3.4208	2.5589	2.5589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.795	C1	C2	H8	116.750
C1	O3	H5	105.768	C2	C1	O3	112.509
C2	C1	H6	107.830	C2	C1	H7	107.830
O3	C1	H6	111.204	O3	C1	H7	111.204
O4	C2	H8	121.455	H6	C1	H7	105.963

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

using model chemistry: BLYP/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	-0.184
2	C	0.038
3	O	-0.525
4	O	-0.261
5	H	0.369
6	H	0.203
7	H	0.203
8	H	0.156

	x	y	z	Total
	1.894	1.166	0.000	2.224
CHELPG
AIM
ESP

	x	y	z
x	5.026	0.184	0.000
y	0.184	5.330	0.000
z	0.000	0.000	3.067

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/6-311G*

States and conformations

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