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	hartrees
Energy at 0K	-226.930160
Energy at 298.15K	-226.935072
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	3302	17.82
2	A'	3008	2891	53.76
3	A'	2989	2873	38.88
4	A'	1664	1600	30.34
5	A'	1579	1518	6.78
6	A'	1488	1430	114.68
7	A'	1427	1372	8.85
8	A'	1322	1270	44.21
9	A'	1043	1003	29.27
10	A'	825	793	39.51
11	A'	750	720	9.10
12	A'	317	304	21.47
13	A"	3024	2906	32.03
14	A"	1245	1197	7.49
15	A"	1132	1088	0.19
16	A"	795	764	0.01
17	A"	432	415	107.06
18	A"	173	166	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)