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	hartrees
Energy at 0K	-225.029319
Energy at 298.15K	-225.033710
HF Energy	-224.762553
Nuclear repulsion energy	115.252481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3660	3660	15.76
2	A'	3273	3273	17.35
3	A'	3243	3243	5.59
4	A'	1770	1770	3.85
5	A'	1677	1677	3.10
6	A'	1653	1653	24.91
7	A'	1447	1447	10.65
8	A'	1412	1412	22.89
9	A'	1156	1156	6.32
10	A'	944	944	5.16
11	A'	746	746	4.12
12	A'	259	259	10.32
13	A"	3329	3329	8.22
14	A"	1285	1285	0.09
15	A"	1088	1088	2.52
16	A"	756	756	0.34
17	A"	335	335	46.05
18	A"	80	80	9.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.983	0.000
C2	0.981	-0.248	0.000
O3	-1.404	0.533	0.000
O4	0.514	-1.424	0.000
H5	-1.264	-0.488	0.000
H6	0.207	1.617	0.904
H7	0.207	1.617	-0.904
H8	2.084	-0.029	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5737	1.4738	2.4610	1.9386	1.1232	1.1232	2.3166
C2	1.5737		2.5093	1.2657	2.2572	2.2120	2.2120	1.1247
O3	1.4738	2.5093		2.7400	1.0305	2.1410	2.1410	3.5327
O4	2.4610	1.2657	2.7400		2.0089	3.1872	3.1872	2.1008
H5	1.9386	2.2572	1.0305	2.0089		2.7216	2.7216	3.3789
H6	1.1232	2.2120	2.1410	3.1872	2.7216		1.8073	2.6550
H7	1.1232	2.2120	2.1410	3.1872	2.7216	1.8073		2.6550
H8	2.3166	1.1247	3.5327	2.1008	3.3789	2.6550	2.6550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	119.771	C1	C2	H8	117.331
C1	O3	H5	99.938	C2	C1	O3	110.811
C2	C1	H6	109.068	C2	C1	H7	109.068
O3	C1	H6	110.336	O3	C1	H7	110.336
O4	C2	H8	122.897	H6	C1	H7	107.135

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

using model chemistry: CCD/STO-3G

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

using model chemistry: CCD/STO-3G

States and conformations

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