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	hartrees
Energy at 0K	-228.446447
Energy at 298.15K	-228.451332
HF Energy	-227.785143
Nuclear repulsion energy	119.243236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3810	3645	64.05
2	A'	3033	2901	64.93
3	A'	3001	2871	57.60
4	A'	1866	1785	108.76
5	A'	1505	1440	23.69
6	A'	1484	1420	55.87
7	A'	1414	1352	20.19
8	A'	1332	1275	33.15
9	A'	1171	1121	68.70
10	A'	898	859	41.10
11	A'	775	741	13.75
12	A'	300	287	22.22
13	A"	3063	2930	36.21
14	A"	1264	1209	1.54
15	A"	1126	1078	0.73
16	A"	751	718	0.30
17	A"	377	361	78.24
18	A"	172	165	9.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.940	0.000
C2	0.927	-0.261	0.000
O3	-1.347	0.554	0.000
O4	0.501	-1.395	0.000
H5	-1.326	-0.415	0.000
H6	0.249	1.556	0.890
H7	0.249	1.556	-0.890
H8	2.024	-0.046	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5178	1.4007	2.3880	1.8954	1.1107	1.1107	2.2510
C2	1.5178		2.4159	1.2108	2.2581	2.1342	2.1342	1.1172
O3	1.4007	2.4159		2.6859	0.9695	2.0838	2.0838	3.4232
O4	2.3880	1.2108	2.6859		2.0731	3.0924	3.0924	2.0339
H5	1.8954	2.2581	0.9695	2.0731		2.6752	2.6752	3.3694
H6	1.1107	2.1342	2.0838	3.0924	2.6752		1.7797	2.5507
H7	1.1107	2.1342	2.0838	3.0924	2.6752	1.7797		2.5507
H8	2.2510	1.1172	3.4232	2.0339	3.3694	2.5507	2.5507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.732	C1	C2	H8	116.545
C1	O3	H5	104.735	C2	C1	O3	111.687
C2	C1	H6	107.568	C2	C1	H7	107.568
O3	C1	H6	111.629	O3	C1	H7	111.629
O4	C2	H8	121.724	H6	C1	H7	106.486

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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