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	hartrees
Energy at 0K	-45.253831
Energy at 298.15K	-45.258618
HF Energy	-44.670100
Nuclear repulsion energy	66.249115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3710	3523	59.26
2	A'	3073	2918	73.58
3	A'	3043	2889	66.17
4	A'	1754	1665	94.75
5	A'	1514	1437	10.28
6	A'	1471	1397	72.14
7	A'	1387	1317	10.80
8	A'	1309	1243	52.36
9	A'	1138	1080	71.08
10	A'	887	842	43.81
11	A'	752	714	10.39
12	A'	290	276	20.94
13	A"	3121	2963	30.77
14	A"	1250	1187	5.09
15	A"	1111	1055	1.38
16	A"	733	696	0.10
17	A"	370	351	111.86
18	A"	158	150	16.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.953	0.000
C2	0.944	-0.253	0.000
O3	-1.367	0.558	0.000
O4	0.517	-1.416	0.000
H5	-1.360	-0.424	0.000
H6	0.228	1.566	0.896
H7	0.228	1.566	-0.896
H8	2.039	-0.040	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5320	1.4231	2.4249	1.9357	1.1090	1.1090	2.2677
C2	1.5320		2.4499	1.2390	2.3110	2.1502	2.1502	1.1146
O3	1.4231	2.4499		2.7290	0.9823	2.0888	2.0888	3.4579
O4	2.4249	1.2390	2.7290		2.1231	3.1267	3.1267	2.0514
H5	1.9357	2.3110	0.9823	2.1231		2.6991	2.6991	3.4204
H6	1.1090	2.1502	2.0888	3.1267	2.6991		1.7918	2.5805
H7	1.1090	2.1502	2.0888	3.1267	2.6991	1.7918		2.5805
H8	2.2677	1.1146	3.4579	2.0514	3.4204	2.5805	2.5805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.753	C1	C2	H8	117.050
C1	O3	H5	105.706	C2	C1	O3	111.947
C2	C1	H6	107.937	C2	C1	H7	107.937
O3	C1	H6	110.551	O3	C1	H7	110.551
O4	C2	H8	121.197	H6	C1	H7	107.767

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

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