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	hartrees
Energy at 0K	-228.433396
Energy at 298.15K	-228.438242
HF Energy	-227.771851
Nuclear repulsion energy	119.275270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3828	3604	55.98
2	A'	3069	2889	77.57
3	A'	3048	2870	37.40
4	A'	1818	1711	97.97
5	A'	1556	1465	6.02
6	A'	1495	1407	79.68
7	A'	1437	1353	14.96
8	A'	1340	1261	50.18
9	A'	1162	1094	67.17
10	A'	899	846	44.59
11	A'	770	725	12.47
12	A'	310	292	21.90
13	A"	3095	2914	34.67
14	A"	1274	1199	2.60
15	A"	1143	1076	0.49
16	A"	761	716	0.67
17	A"	379	357	94.67
18	A"	144	135	11.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.942	0.000
C2	0.931	-0.250	0.000
O3	-1.347	0.543	0.000
O4	0.505	-1.393	0.000
H5	-1.334	-0.425	0.000
H6	0.233	1.554	0.881
H7	0.233	1.554	-0.881
H8	2.012	-0.037	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5122	1.4046	2.3890	1.9097	1.0976	1.0976	2.2375
C2	1.5122		2.4119	1.2203	2.2718	2.1247	2.1247	1.1014
O3	1.4046	2.4119		2.6792	0.9678	2.0723	2.0723	3.4085
O4	2.3890	1.2203	2.6792		2.0784	3.0876	3.0876	2.0271
H5	1.9097	2.2718	0.9678	2.0784		2.6733	2.6733	3.3682
H6	1.0976	2.1247	2.0723	3.0876	2.6733		1.7617	2.5436
H7	1.0976	2.1247	2.0723	3.0876	2.6733	1.7617		2.5436
H8	2.2375	1.1014	3.4085	2.0271	3.3682	2.5436	2.5436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.559	C1	C2	H8	116.889
C1	O3	H5	105.732	C2	C1	O3	111.510
C2	C1	H6	107.951	C2	C1	H7	107.951
O3	C1	H6	111.237	O3	C1	H7	111.237
O4	C2	H8	121.552	H6	C1	H7	106.748

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

using model chemistry: QCISD/6-31G**

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/6-31G**

States and conformations

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