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	hartrees
Energy at 0K	-228.389187
Energy at 298.15K	-228.394018
HF Energy	-227.760368
Nuclear repulsion energy	119.214518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3734	3534	55.86
2	A'	3045	2883	68.68
3	A'	3026	2865	30.60
4	A'	1864	1764	91.59
5	A'	1553	1470	5.91
6	A'	1503	1423	82.94
7	A'	1443	1365	15.46
8	A'	1349	1277	54.32
9	A'	1170	1108	66.67
10	A'	907	858	43.31
11	A'	777	735	13.93
12	A'	315	298	21.15
13	A"	3070	2906	28.62
14	A"	1275	1206	3.15
15	A"	1147	1086	0.46
16	A"	764	724	0.21
17	A"	366	346	100.70
18	A"	141	133	16.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.933	0.000
C2	-0.934	0.274	0.000
O3	1.360	-0.587	0.000
O4	-0.521	1.412	0.000
H5	1.385	0.383	0.000
H6	-0.237	-1.544	0.885
H7	-0.237	-1.544	-0.885
H8	-2.022	0.056	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5256	1.4032	2.4021	1.9099	1.1014	1.1014	2.2508
C2	1.5256		2.4498	1.2108	2.3208	2.1387	2.1387	1.1102
O3	1.4032	2.4498		2.7449	0.9701	2.0613	2.0613	3.4427
O4	2.4021	1.2108	2.7449		2.1659	3.0991	3.0991	2.0232
H5	1.9099	2.3208	0.9701	2.1659		2.6694	2.6694	3.4225
H6	1.1014	2.1387	2.0613	3.0991	2.6694		1.7699	2.5555
H7	1.1014	2.1387	2.0613	3.0991	2.6694	1.7699		2.5555
H8	2.2508	1.1102	3.4427	2.0232	3.4225	2.5555	2.5555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.344	C1	C2	H8	116.406
C1	O3	H5	105.725	C2	C1	O3	113.467
C2	C1	H6	107.910	C2	C1	H7	107.910
O3	C1	H6	110.190	O3	C1	H7	110.190
O4	C2	H8	121.250	H6	C1	H7	106.926

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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