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	hartrees
Energy at 0K	-228.114575
Energy at 298.15K	-228.119258
HF Energy	-227.696726
Nuclear repulsion energy	115.521012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3607	3474	29.02
2	A'	3052	2939	109.09
3	A'	3035	2923	11.25
4	A'	1589	1530	37.12
5	A'	1530	1473	17.33
6	A'	1428	1375	55.55
7	A'	1397	1346	2.73
8	A'	1283	1235	70.66
9	A'	1050	1012	41.63
10	A'	846	815	52.53
11	A'	724	698	11.01
12	A'	274	264	20.95
13	A"	3098	2984	29.11
14	A"	1221	1176	6.63
15	A"	1117	1076	0.74
16	A"	755	727	0.46
17	A"	346	333	150.25
18	A"	138	133	30.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.964	0.000
C2	0.969	-0.230	0.000
O3	-1.407	0.541	0.000
O4	0.558	-1.431	0.000
H5	-1.455	-0.447	0.000
H6	0.189	1.581	0.898
H7	0.189	1.581	-0.898
H8	2.052	0.006	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5380	1.4691	2.4590	2.0267	1.1054	1.1054	2.2644
C2	1.5380		2.4981	1.2693	2.4341	2.1664	2.1664	1.1080
O3	1.4691	2.4981		2.7834	0.9888	2.1060	2.1060	3.4998
O4	2.4590	1.2693	2.7834		2.2407	3.1641	3.1641	2.0730
H5	2.0267	2.4341	0.9888	2.2407		2.7607	2.7607	3.5362
H6	1.1054	2.1664	2.1060	3.1641	2.7607		1.7951	2.5988
H7	1.1054	2.1664	2.1060	3.1641	2.7607	1.7951		2.5988
H8	2.2644	1.1080	3.4998	2.0730	3.5362	2.5988	2.5988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.015	C1	C2	H8	116.757
C1	O3	H5	109.543	C2	C1	O3	112.329
C2	C1	H6	108.978	C2	C1	H7	108.978
O3	C1	H6	108.957	O3	C1	H7	108.957
O4	C2	H8	121.228	H6	C1	H7	108.572

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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