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	hartrees
Energy at 0K	-228.532641
Energy at 298.15K	-228.537372
HF Energy	-227.849580
Nuclear repulsion energy	119.403689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3762	3566	66.58
2	A'	3061	2902	50.74
3	A'	3021	2864	61.41
4	A'	1764	1672	91.53
5	A'	1514	1435	10.84
6	A'	1461	1385	45.18
7	A'	1427	1353	19.05
8	A'	1302	1234	41.43
9	A'	1143	1083	73.39
10	A'	885	839	50.56
11	A'	770	730	9.70
12	A'	288	273	22.71
13	A"	3098	2937	18.86
14	A"	1260	1194	3.57
15	A"	1127	1068	0.93
16	A"	735	697	0.31
17	A"	358	339	88.88
18	A"	110	104	22.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.935	0.000
C2	0.928	-0.250	0.000
O3	-1.350	0.550	0.000
O4	0.512	-1.393	0.000
H5	-1.341	-0.419	0.000
H6	0.236	1.540	0.883
H7	0.236	1.540	-0.883
H8	2.008	-0.030	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5052	1.4042	2.3829	1.9056	1.0961	1.0961	2.2283
C2	1.5052		2.4153	1.2161	2.2759	2.1128	2.1128	1.1021
O3	1.4042	2.4153		2.6911	0.9691	2.0679	2.0679	3.4087
O4	2.3829	1.2161	2.6911		2.0932	3.0752	3.0752	2.0237
H5	1.9056	2.2759	0.9691	2.0932		2.6655	2.6655	3.3721
H6	1.0961	2.1128	2.0679	3.0752	2.6655		1.7656	2.5275
H7	1.0961	2.1128	2.0679	3.0752	2.6655	1.7656		2.5275
H8	2.2283	1.1021	3.4087	2.0237	3.3721	2.5275	2.5275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.883	C1	C2	H8	116.587
C1	O3	H5	105.352	C2	C1	O3	112.181
C2	C1	H6	107.582	C2	C1	H7	107.582
O3	C1	H6	110.994	O3	C1	H7	110.994
O4	C2	H8	121.530	H6	C1	H7	107.289

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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