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	hartrees
Energy at 0K	-229.011218
Energy at 298.15K	-229.016042
Nuclear repulsion energy	117.253655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3612	3472	25.92
2	A'	3037	2919	112.49
3	A'	3016	2899	7.77
4	A'	1688	1622	105.72
5	A'	1495	1438	19.80
6	A'	1419	1364	51.78
7	A'	1397	1343	15.68
8	A'	1279	1230	72.38
9	A'	1087	1045	61.49
10	A'	867	833	54.34
11	A'	743	714	9.00
12	A'	274	263	24.59
13	A"	3062	2943	28.12
14	A"	1228	1180	6.24
15	A"	1107	1064	0.28
16	A"	750	721	1.05
17	A"	383	369	154.48
18	A"	193	186	16.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.947	0.000
C2	0.952	-0.236	0.000
O3	-1.381	0.543	0.000
O4	0.538	-1.411	0.000
H5	-1.428	-0.442	0.000
H6	0.213	1.564	0.888
H7	0.213	1.564	-0.888
H8	2.032	-0.003	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5184	1.4388	2.4183	1.9918	1.1023	1.1023	2.2433
C2	1.5184		2.4595	1.2456	2.3891	2.1391	2.1391	1.1053
O3	1.4388	2.4595		2.7386	0.9856	2.0912	2.0912	3.4566
O4	2.4183	1.2456	2.7386		2.1922	3.1219	3.1219	2.0533
H5	1.9918	2.3891	0.9856	2.1922		2.7398	2.7398	3.4883
H6	1.1023	2.1391	2.0912	3.1219	2.7398		1.7755	2.5600
H7	1.1023	2.1391	2.0912	3.1219	2.7398	1.7755		2.5600
H8	2.2433	1.1053	3.4566	2.0533	3.4883	2.5600	2.5600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.762	C1	C2	H8	116.641
C1	O3	H5	109.056	C2	C1	O3	112.524
C2	C1	H6	108.375	C2	C1	H7	108.375
O3	C1	H6	110.059	O3	C1	H7	110.059
O4	C2	H8	121.598	H6	C1	H7	107.288

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

using model chemistry: B3LYP/SDD

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	-0.250
2	C	-0.014
3	O	-0.474
4	O	-0.239
5	H	0.368
6	H	0.214
7	H	0.214
8	H	0.180

	x	y	z	Total
	2.481	1.642	0.000	2.975
CHELPG
AIM
ESP

	x	y	z
x	4.155	0.175	0.000
y	0.175	4.882	0.000
z	0.000	0.000	2.555

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/SDD

States and conformations

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