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	hartrees
Energy at 0K	-44.993090
Energy at 298.15K	-44.997522
HF Energy	-44.567998
Nuclear repulsion energy	65.057898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3568	3483	27.26
2	A'	3005	2933	99.75
3	A'	2986	2914	10.25
4	A'	1580	1542	39.38
5	A'	1522	1485	15.95
6	A'	1420	1386	51.61
7	A'	1390	1357	4.31
8	A'	1268	1237	63.40
9	A'	1049	1023	45.73
10	A'	849	828	53.88
11	A'	719	701	11.90
12	A'	276	270	20.43
13	A"	3053	2979	29.57
14	A"	1200	1171	7.93
15	A"	1112	1086	0.81
16	A"	748	730	0.10
17	A"	317	310	124.43
18	A"	6	6	44.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.969	0.000
C2	0.972	-0.227	0.000
O3	-1.407	0.535	0.000
O4	0.555	-1.431	0.000
H5	-1.443	-0.452	0.000
H6	0.185	1.586	0.897
H7	0.185	1.586	-0.897
H8	2.057	-0.005	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5420	1.4725	2.4633	2.0259	1.1040	1.1040	2.2759
C2	1.5420		2.4986	1.2737	2.4263	2.1711	2.1711	1.1069
O3	1.4725	2.4986		2.7771	0.9879	2.1081	2.1081	3.5056
O4	2.4633	1.2737	2.7771		2.2249	3.1692	3.1692	2.0709
H5	2.0259	2.4263	0.9879	2.2249		2.7591	2.7591	3.5287
H6	1.1040	2.1711	2.1081	3.1692	2.7591		1.7930	2.6153
H7	1.1040	2.1711	2.1081	3.1692	2.7591	1.7930		2.6153
H8	2.2759	1.1069	3.5056	2.0709	3.5287	2.6153	2.6153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.758	C1	C2	H8	117.504
C1	O3	H5	109.266	C2	C1	O3	111.943
C2	C1	H6	109.152	C2	C1	H7	109.152
O3	C1	H6	108.972	O3	C1	H7	108.972
O4	C2	H8	120.737	H6	C1	H7	108.590

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

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

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