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	hartrees
Energy at 0K	-228.454695
Energy at 298.15K	-228.459585
HF Energy	-227.784360
Nuclear repulsion energy	119.083768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3774	3620	64.44
2	A'	3021	2898	69.12
3	A'	2987	2866	63.53
4	A'	1815	1741	114.36
5	A'	1501	1440	25.54
6	A'	1479	1419	59.71
7	A'	1401	1344	18.19
8	A'	1325	1272	31.09
9	A'	1162	1115	66.29
10	A'	891	855	42.46
11	A'	769	738	12.34
12	A'	300	287	22.70
13	A"	3048	2925	38.45
14	A"	1257	1206	1.66
15	A"	1119	1073	0.56
16	A"	745	715	0.42
17	A"	389	374	76.98
18	A"	174	167	7.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.943	0.000
C2	0.929	-0.259	0.000
O3	-1.347	0.553	0.000
O4	0.499	-1.397	0.000
H5	-1.317	-0.418	0.000
H6	0.250	1.559	0.890
H7	0.250	1.559	-0.890
H8	2.026	-0.044	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5187	1.4020	2.3925	1.8943	1.1114	1.1114	2.2532
C2	1.5187		2.4158	1.2167	2.2519	2.1350	2.1350	1.1179
O3	1.4020	2.4158		2.6847	0.9714	2.0868	2.0868	3.4247
O4	2.3925	1.2167	2.6847		2.0634	3.0974	3.0974	2.0403
H5	1.8943	2.2519	0.9714	2.0634		2.6758	2.6758	3.3642
H6	1.1114	2.1350	2.0868	3.0974	2.6758		1.7808	2.5524
H7	1.1114	2.1350	2.0868	3.0974	2.6758	1.7808		2.5524
H8	2.2532	1.1179	3.4247	2.0403	3.3642	2.5524	2.5524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.612	C1	C2	H8	116.604
C1	O3	H5	104.440	C2	C1	O3	111.543
C2	C1	H6	107.528	C2	C1	H7	107.528
O3	C1	H6	111.740	O3	C1	H7	111.740
O4	C2	H8	121.784	H6	C1	H7	106.486

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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