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	hartrees
Energy at 0K	-226.930160
Energy at 298.15K	-226.935081
HF Energy	-226.479505
Nuclear repulsion energy	117.184377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3435	3330	17.82
2	A'	3008	2916	53.76
3	A'	2989	2897	38.89
4	A'	1664	1613	30.34
5	A'	1579	1530	6.78
6	A'	1488	1442	114.68
7	A'	1427	1383	8.85
8	A'	1322	1281	44.21
9	A'	1043	1011	29.27
10	A'	825	799	39.51
11	A'	750	727	9.10
12	A'	317	307	21.47
13	A"	3024	2930	32.03
14	A"	1245	1207	7.49
15	A"	1132	1097	0.19
16	A"	795	770	0.01
17	A"	432	419	107.06
18	A"	173	167	10.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.973	0.000
C2	0.957	-0.228	0.000
O3	-1.380	0.502	0.000
O4	0.520	-1.396	0.000
H5	-1.309	-0.494	0.000
H6	0.211	1.587	0.891
H7	0.211	1.587	-0.891
H8	2.034	0.002	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5349	1.4585	2.4255	1.9659	1.1028	1.1028	2.2540
C2	1.5349		2.4484	1.2478	2.2816	2.1550	2.1550	1.1017
O3	1.4585	2.4484		2.6862	0.9984	2.1220	2.1220	3.4511
O4	2.4255	1.2478	2.6862		2.0398	3.1291	3.1291	2.0612
H5	1.9659	2.2816	0.9984	2.0398		2.7266	2.7266	3.3801
H6	1.1028	2.1550	2.1220	3.1291	2.7266		1.7826	2.5754
H7	1.1028	2.1550	2.1220	3.1291	2.7266	1.7826		2.5754
H8	2.2540	1.1017	3.4511	2.0612	3.3801	2.5754	2.5754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	120.951	C1	C2	H8	116.535
C1	O3	H5	104.737	C2	C1	O3	109.733
C2	C1	H6	108.455	C2	C1	H7	108.455
O3	C1	H6	111.133	O3	C1	H7	111.133
O4	C2	H8	122.515	H6	C1	H7	107.843

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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