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	hartrees
Energy at 0K	-228.452193
Energy at 298.15K	-228.457016
HF Energy	-227.781995
Nuclear repulsion energy	119.443059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3876	3611	65.70
2	A'	3108	2895	75.89
3	A'	3090	2879	20.78
4	A'	1872	1744	127.31
5	A'	1548	1443	10.40
6	A'	1488	1386	45.12
7	A'	1448	1349	20.87
8	A'	1327	1236	47.96
9	A'	1169	1089	75.07
10	A'	907	845	46.30
11	A'	774	721	14.62
12	A'	300	280	21.65
13	A"	3140	2925	18.80
14	A"	1281	1194	2.77
15	A"	1148	1069	0.91
16	A"	759	707	0.08
17	A"	358	333	107.85
18	A"	145	135	18.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.928	0.000
C2	0.934	-0.273	0.000
O3	-1.361	0.590	0.000
O4	0.526	-1.410	0.000
H5	-1.410	-0.372	0.000
H6	0.234	1.532	0.880
H7	0.234	1.532	-0.880
H8	2.013	-0.053	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5214	1.4023	2.3966	1.9179	1.0929	1.0929	2.2394
C2	1.5214		2.4520	1.2083	2.3468	2.1269	2.1269	1.1013
O3	1.4023	2.4520		2.7498	0.9628	2.0514	2.0514	3.4349
O4	2.3966	1.2083	2.7498		2.1975	3.0854	3.0854	2.0136
H5	1.9179	2.3468	0.9628	2.1975		2.6657	2.6657	3.4385
H6	1.0929	2.1269	2.0514	3.0854	2.6657		1.7592	2.5400
H7	1.0929	2.1269	2.0514	3.0854	2.6657	1.7592		2.5400
H8	2.2394	1.1013	3.4349	2.0136	3.4385	2.5400	2.5400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.379	C1	C2	H8	116.349
C1	O3	H5	106.897	C2	C1	O3	113.932
C2	C1	H6	107.761	C2	C1	H7	107.761
O3	C1	H6	109.975	O3	C1	H7	109.975
O4	C2	H8	121.272	H6	C1	H7	107.186

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

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

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/6-31+G**

States and conformations

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