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	hartrees
Energy at 0K	-228.677518
Energy at 298.15K	-228.682472
HF Energy	-227.860357
Nuclear repulsion energy	119.601447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3715	3540	75.26
2	A'	3040	2897	55.91
3	A'	3006	2864	48.82
4	A'	1754	1671	99.18
5	A'	1497	1426	16.07
6	A'	1446	1378	41.60
7	A'	1396	1330	14.32
8	A'	1302	1241	44.76
9	A'	1144	1090	79.06
10	A'	887	845	47.47
11	A'	763	727	10.59
12	A'	288	274	21.68
13	A"	3075	2930	11.06
14	A"	1264	1205	2.06
15	A"	1110	1058	0.55
16	A"	731	697	0.14
17	A"	418	398	84.69
18	A"	214	204	3.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.930	0.000
C2	-0.929	0.269	0.000
O3	1.354	-0.579	0.000
O4	-0.517	1.405	0.000
H5	1.367	0.386	0.000
H6	-0.238	-1.534	0.882
H7	-0.238	-1.534	-0.882
H8	-2.011	0.045	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5170	1.3986	2.3912	1.8981	1.0944	1.0944	2.2352
C2	1.5170		2.4355	1.2086	2.2999	2.1223	2.1223	1.1047
O3	1.3986	2.4355		2.7263	0.9653	2.0545	2.0545	3.4224
O4	2.3912	1.2086	2.7263		2.1417	3.0802	3.0802	2.0204
H5	1.8981	2.2999	0.9653	2.1417		2.6531	2.6531	3.3959
H6	1.0944	2.1223	2.0545	3.0802	2.6531		1.7631	2.5328
H7	1.0944	2.1223	2.0545	3.0802	2.6531	1.7631		2.5328
H8	2.2352	1.1047	3.4224	2.0204	3.3959	2.5328	2.5328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.242	C1	C2	H8	116.108
C1	O3	H5	105.354	C2	C1	O3	113.243
C2	C1	H6	107.623	C2	C1	H7	107.623
O3	C1	H6	110.402	O3	C1	H7	110.402
O4	C2	H8	121.650	H6	C1	H7	107.318

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

using model chemistry: MP2/aug-cc-pVTZ

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: MP2/aug-cc-pVTZ

States and conformations

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