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	hartrees
Energy at 0K	-228.098834
Energy at 298.15K	-228.103507
HF Energy	-227.651698
Nuclear repulsion energy	116.948802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3630	3483	25.30
2	A'	3037	2914	69.28
3	A'	3011	2889	10.35
4	A'	1726	1657	46.21
5	A'	1558	1494	7.84
6	A'	1457	1398	60.15
7	A'	1438	1379	10.97
8	A'	1320	1266	66.35
9	A'	1079	1035	34.94
10	A'	878	842	51.49
11	A'	747	716	14.29
12	A'	304	292	20.50
13	A"	3046	2922	27.11
14	A"	1241	1191	6.03
15	A"	1135	1089	0.64
16	A"	781	750	0.01
17	A"	325	312	129.65
18	A"	95	91	41.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.955	0.000
C2	0.956	-0.230	0.000
O3	-1.388	0.527	0.000
O4	0.546	-1.408	0.000
H5	-1.425	-0.453	0.000
H6	0.194	1.578	0.891
H7	0.194	1.578	-0.891
H8	2.037	-0.005	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5227	1.4526	2.4249	2.0033	1.1046	1.1046	2.2516
C2	1.5227		2.4635	1.2466	2.3912	2.1552	2.1552	1.1037
O3	1.4526	2.4635		2.7361	0.9812	2.0978	2.0978	3.4659
O4	2.4249	1.2466	2.7361		2.1901	3.1356	3.1356	2.0463
H5	2.0033	2.3912	0.9812	2.1901		2.7458	2.7458	3.4902
H6	1.1046	2.1552	2.0978	3.1356	2.7458		1.7829	2.5878
H7	1.1046	2.1552	2.0978	3.1356	2.7458	1.7829		2.5878
H8	2.2516	1.1037	3.4659	2.0463	3.4902	2.5878	2.5878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.926	C1	C2	H8	117.131
C1	O3	H5	109.265	C2	C1	O3	111.767
C2	C1	H6	109.195	C2	C1	H7	109.195
O3	C1	H6	109.490	O3	C1	H7	109.490
O4	C2	H8	120.943	H6	C1	H7	107.610

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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