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	hartrees
Energy at 0K	-228.439992
Energy at 298.15K	-228.444807
HF Energy	-227.780185
Nuclear repulsion energy	119.074816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3777	3547	71.56
2	A'	3093	2905	61.69
3	A'	3069	2883	43.90
4	A'	1763	1656	96.31
5	A'	1532	1439	13.30
6	A'	1461	1372	46.44
7	A'	1423	1336	15.01
8	A'	1303	1224	46.77
9	A'	1145	1076	76.78
10	A'	897	843	52.09
11	A'	763	717	10.34
12	A'	294	276	21.83
13	A"	3136	2945	14.73
14	A"	1266	1189	3.72
15	A"	1131	1062	0.89
16	A"	746	700	0.00
17	A"	369	347	104.47
18	A"	151	142	17.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.937	0.000
C2	0.933	-0.243	0.000
O3	-1.352	0.544	0.000
O4	0.516	-1.396	0.000
H5	-1.358	-0.427	0.000
H6	0.223	1.547	0.881
H7	0.223	1.547	-0.881
H8	2.011	-0.026	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5040	1.4084	2.3896	1.9252	1.0949	1.0949	2.2294
C2	1.5040		2.4167	1.2263	2.2981	2.1174	2.1174	1.0997
O3	1.4084	2.4167		2.6933	0.9715	2.0654	2.0654	3.4110
O4	2.3896	1.2263	2.6933		2.1093	3.0862	3.0862	2.0280
H5	1.9252	2.2981	0.9715	2.1093		2.6789	2.6789	3.3926
H6	1.0949	2.1174	2.0654	3.0862	2.6789		1.7628	2.5388
H7	1.0949	2.1174	2.0654	3.0862	2.6789	1.7628		2.5388
H8	2.2294	1.0997	3.4110	2.0280	3.3926	2.5388	2.5388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.802	C1	C2	H8	116.942
C1	O3	H5	106.544	C2	C1	O3	112.112
C2	C1	H6	108.092	C2	C1	H7	108.092
O3	C1	H6	110.571	O3	C1	H7	110.571
O4	C2	H8	121.256	H6	C1	H7	107.228

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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