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	hartrees
Energy at 0K	-228.397796
Energy at 298.15K	-228.402670
HF Energy	-227.760913
Nuclear repulsion energy	119.518934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3750	3518	59.65
2	A'	3070	2880	73.10
3	A'	3052	2864	21.59
4	A'	1886	1770	101.27
5	A'	1559	1462	6.85
6	A'	1510	1417	81.78
7	A'	1451	1362	17.80
8	A'	1354	1271	55.40
9	A'	1178	1105	68.51
10	A'	912	856	43.24
11	A'	783	734	14.44
12	A'	318	298	21.74
13	A"	3093	2902	26.95
14	A"	1282	1203	3.19
15	A"	1153	1082	0.43
16	A"	766	719	0.17
17	A"	377	354	103.76
18	A"	154	144	13.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.931	0.000
C2	0.932	-0.271	0.000
O3	-1.356	0.581	0.000
O4	0.517	-1.406	0.000
H5	-1.374	-0.388	0.000
H6	0.236	1.542	0.884
H7	0.236	1.542	-0.884
H8	2.019	-0.056	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5219	1.4007	2.3940	1.9047	1.0994	1.0994	2.2475
C2	1.5219		2.4421	1.2081	2.3090	2.1339	2.1339	1.1078
O3	1.4007	2.4421		2.7310	0.9691	2.0585	2.0585	3.4347
O4	2.3940	1.2081	2.7310		2.1477	3.0902	3.0902	2.0193
H5	1.9047	2.3090	0.9691	2.1477		2.6635	2.6635	3.4089
H6	1.0994	2.1339	2.0585	3.0902	2.6635		1.7671	2.5522
H7	1.0994	2.1339	2.0585	3.0902	2.6635	1.7671		2.5522
H8	2.2475	1.1078	3.4347	2.0193	3.4089	2.5522	2.5522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.131	C1	C2	H8	116.558
C1	O3	H5	105.524	C2	C1	O3	113.290
C2	C1	H6	107.906	C2	C1	H7	107.906
O3	C1	H6	110.267	O3	C1	H7	110.267
O4	C2	H8	121.310	H6	C1	H7	106.966

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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