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	hartrees
Energy at 0K	-228.939547
Energy at 298.15K	-228.934148
HF Energy	-229.059859
Nuclear repulsion energy	119.698792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3698	3568	58.14
2	A'	2964	2861	63.06
3	A'	2926	2824	62.06
4	A'	1817	1753	129.24
5	A'	1484	1432	24.53
6	A'	1448	1398	60.90
7	A'	1397	1349	23.90
8	A'	1309	1263	42.05
9	A'	1140	1101	76.04
10	A'	867	836	46.11
11	A'	769	742	8.64
12	A'	297	287	23.28
13	A"	2974	2870	27.62
14	A"	1245	1201	1.83
15	A"	1112	1073	0.10
16	A"	724	698	0.31
17	A"	422	407	74.44
18	A"	217	210	2.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.934	0.000
C2	0.925	-0.259	0.000
O3	-1.342	0.552	0.000
O4	0.500	-1.389	0.000
H5	-1.334	-0.418	0.000
H6	0.251	1.551	0.881
H7	0.251	1.551	-0.881
H8	2.013	-0.041	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5094	1.3947	2.3754	1.8986	1.1045	1.1045	2.2370
C2	1.5094		2.4078	1.2073	2.2647	2.1227	2.1227	1.1094
O3	1.3947	2.4078		2.6755	0.9701	2.0757	2.0757	3.4071
O4	2.3754	1.2073	2.6755		2.0747	3.0787	3.0787	2.0263
H5	1.8986	2.2647	0.9701	2.0747		2.6762	2.6762	3.3681
H6	1.1045	2.1227	2.0757	3.0787	2.6762		1.7618	2.5333
H7	1.1045	2.1227	2.0757	3.0787	2.6762	1.7618		2.5333
H8	2.2370	1.1094	3.4071	2.0263	3.3681	2.5333	2.5333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.759	C1	C2	H8	116.024
C1	O3	H5	105.846	C2	C1	O3	112.033
C2	C1	H6	107.526	C2	C1	H7	107.526
O3	C1	H6	111.681	O3	C1	H7	111.681
O4	C2	H8	122.217	H6	C1	H7	106.080

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

using model chemistry: G4

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	-0.116
2	C	0.140
3	O	-0.413
4	O	-0.249
5	H	0.297
6	H	0.121
7	H	0.121
8	H	0.098

	x	y	z	Total
	1.817	1.244	0.000	2.202
CHELPG
AIM
ESP

<r²>	72.530
(<r²>)^1/2	8.516

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

using model chemistry: G4

States and conformations

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