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	hartrees
Energy at 0K	-228.106955
Energy at 298.15K	-228.111645
HF Energy	-227.650452
Nuclear repulsion energy	116.718052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3585	3455	24.44
2	A'	3020	2910	75.89
3	A'	2998	2889	10.45
4	A'	1666	1605	53.45
5	A'	1552	1495	9.29
6	A'	1452	1399	69.69
7	A'	1419	1367	12.35
8	A'	1312	1265	61.89
9	A'	1065	1026	32.61
10	A'	867	835	53.57
11	A'	739	712	13.07
12	A'	304	293	21.11
13	A"	3033	2923	27.77
14	A"	1233	1188	6.13
15	A"	1128	1087	0.33
16	A"	777	748	0.01
17	A"	340	327	132.02
18	A"	103	99	34.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.959	0.000
C2	0.958	-0.227	0.000
O3	-1.389	0.525	0.000
O4	0.544	-1.411	0.000
H5	-1.415	-0.458	0.000
H6	0.194	1.582	0.892
H7	0.194	1.582	-0.892
H8	2.039	-0.002	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5246	1.4549	2.4318	2.0028	1.1051	1.1051	2.2545
C2	1.5246		2.4643	1.2543	2.3844	2.1568	2.1568	1.1048
O3	1.4549	2.4643		2.7360	0.9836	2.1017	2.1017	3.4685
O4	2.4318	1.2543	2.7360		2.1790	3.1427	3.1427	2.0548
H5	2.0028	2.3844	0.9836	2.1790		2.7471	2.7471	3.4848
H6	1.1051	2.1568	2.1017	3.1427	2.7471		1.7841	2.5903
H7	1.1051	2.1568	2.1017	3.1427	2.7471	1.7841		2.5903
H8	2.2545	1.1048	3.4685	2.0548	3.4848	2.5903	2.5903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.813	C1	C2	H8	117.159
C1	O3	H5	108.897	C2	C1	O3	111.577
C2	C1	H6	109.158	C2	C1	H7	109.158
O3	C1	H6	109.607	O3	C1	H7	109.607
O4	C2	H8	121.028	H6	C1	H7	107.647

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

using model chemistry: QCISD/6-31G

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: QCISD/6-31G

States and conformations

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