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	hartrees
Energy at 0K	-225.033525
Energy at 298.15K	-225.037987
HF Energy	-224.761740
Nuclear repulsion energy	115.265742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3634	3634	13.56
2	A'	3248	3248	21.42
3	A'	3236	3236	5.41
4	A'	1745	1745	11.17
5	A'	1674	1674	3.84
6	A'	1655	1655	26.66
7	A'	1432	1432	5.51
8	A'	1400	1400	24.83
9	A'	1154	1154	6.44
10	A'	935	935	6.63
11	A'	744	744	4.25
12	A'	259	259	11.73
13	A"	3321	3321	8.37
14	A"	1279	1279	0.12
15	A"	1084	1084	1.82
16	A"	754	754	0.11
17	A"	366	366	49.30
18	A"	108	108	6.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.988	0.000
C2	0.981	-0.247	0.000
O3	-1.399	0.528	0.000
O4	0.506	-1.424	0.000
H5	-1.248	-0.493	0.000
H6	0.208	1.621	0.904
H7	0.208	1.621	-0.904
H8	2.086	-0.027	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5773	1.4726	2.4639	1.9367	1.1237	1.1237	2.3200
C2	1.5773		2.5031	1.2684	2.2429	2.2152	2.2152	1.1271
O3	1.4726	2.5031		2.7275	1.0320	2.1438	2.1438	3.5293
O4	2.4639	1.2684	2.7275		1.9863	3.1903	3.1903	2.1088
H5	1.9367	2.2429	1.0320	1.9863		2.7220	2.7220	3.3672
H6	1.1237	2.2152	2.1438	3.1903	2.7220		1.8087	2.6575
H7	1.1237	2.2152	2.1438	3.1903	2.7220	1.8087		2.6575
H8	2.3200	1.1271	3.5293	2.1088	3.3672	2.6575	2.6575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	119.564	C1	C2	H8	117.182
C1	O3	H5	99.797	C2	C1	O3	110.273
C2	C1	H6	109.048	C2	C1	H7	109.048
O3	C1	H6	110.604	O3	C1	H7	110.604
O4	C2	H8	123.254	H6	C1	H7	107.190

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

using model chemistry: QCISD/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: QCISD/STO-3G

States and conformations

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