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	hartrees
Energy at 0K	-228.412870
Energy at 298.15K	-228.417671
HF Energy	-227.768743
Nuclear repulsion energy	118.810609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3694	3450	59.36
2	A'	3043	2841	71.50
3	A'	3023	2823	27.18
4	A'	1817	1696	120.81
5	A'	1533	1431	10.78
6	A'	1478	1380	52.67
7	A'	1428	1333	16.77
8	A'	1320	1232	50.62
9	A'	1154	1077	69.62
10	A'	899	839	48.34
11	A'	764	714	13.37
12	A'	301	281	21.10
13	A"	3069	2866	18.68
14	A"	1264	1181	3.44
15	A"	1134	1059	0.74
16	A"	755	705	0.01
17	A"	357	334	112.50
18	A"	140	131	19.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.938	0.000
C2	0.933	-0.249	0.000
O3	-1.356	0.550	0.000
O4	0.521	-1.398	0.000
H5	-1.377	-0.427	0.000
H6	0.222	1.554	0.887
H7	0.222	1.554	-0.887
H8	2.018	-0.033	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5101	1.4109	2.3931	1.9393	1.1021	1.1021	2.2396
C2	1.5101		2.4249	1.2202	2.3173	2.1313	2.1313	1.1063
O3	1.4109	2.4249		2.7050	0.9772	2.0700	2.0700	3.4244
O4	2.3931	1.2202	2.7050		2.1321	3.0960	3.0960	2.0258
H5	1.9393	2.3173	0.9772	2.1321		2.6957	2.6957	3.4183
H6	1.1021	2.1313	2.0700	3.0960	2.6957		1.7741	2.5554
H7	1.1021	2.1313	2.0700	3.0960	2.6957	1.7741		2.5554
H8	2.2396	1.1063	3.4244	2.0258	3.4183	2.5554	2.5554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.095	C1	C2	H8	116.893
C1	O3	H5	107.204	C2	C1	O3	112.192
C2	C1	H6	108.339	C2	C1	H7	108.339
O3	C1	H6	110.311	O3	C1	H7	110.311
O4	C2	H8	121.011	H6	C1	H7	107.188

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

using model chemistry: CCSD/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: CCSD/6-31+G**

States and conformations

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