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	hartrees
Energy at 0K	-228.595244
Energy at 298.15K	-228.600193
HF Energy	-227.790993
Nuclear repulsion energy	120.100771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3824	3601	63.01
2	A'	3056	2877	49.90
3	A'	3024	2847	45.82
4	A'	1851	1742	105.64
5	A'	1533	1443	10.00
6	A'	1496	1409	68.54
7	A'	1431	1347	16.69
8	A'	1346	1268	47.47
9	A'	1180	1111	70.43
10	A'	900	848	40.41
11	A'	779	734	12.75
12	A'	307	289	21.54
13	A"	3081	2901	22.79
14	A"	1290	1215	1.55
15	A"	1140	1073	0.29
16	A"	759	715	0.13
17	A"	395	372	81.38
18	A"	193	182	6.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.930	0.000
C2	-0.924	0.273	0.000
O3	1.346	-0.578	0.000
O4	-0.510	1.400	0.000
H5	1.341	0.381	0.000
H6	-0.241	-1.535	0.881
H7	-0.241	-1.535	-0.881
H8	-2.007	0.054	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5169	1.3916	2.3846	1.8752	1.0955	1.0955	2.2350
C2	1.5169		2.4248	1.2005	2.2677	2.1238	2.1238	1.1048
O3	1.3916	2.4248		2.7121	0.9590	2.0523	2.0523	3.4124
O4	2.3846	1.2005	2.7121		2.1123	3.0755	3.0755	2.0135
H5	1.8752	2.2677	0.9590	2.1123		2.6361	2.6361	3.3639
H6	1.0955	2.1238	2.0523	3.0755	2.6361		1.7617	2.5332
H7	1.0955	2.1238	2.0523	3.0755	2.6361	1.7617		2.5332
H8	2.2350	1.1048	3.4124	2.0135	3.3639	2.5332	2.5332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.257	C1	C2	H8	116.084
C1	O3	H5	104.318	C2	C1	O3	112.891
C2	C1	H6	107.681	C2	C1	H7	107.681
O3	C1	H6	110.650	O3	C1	H7	110.650
O4	C2	H8	121.659	H6	C1	H7	107.048

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

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