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	hartrees
Energy at 0K	-228.539938
Energy at 298.15K	-228.544900
HF Energy	-227.789538
Nuclear repulsion energy	119.844231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3759	3550	72.63
2	A'	3057	2887	46.46
3	A'	3026	2858	51.11
4	A'	1783	1684	77.77
5	A'	1519	1435	13.38
6	A'	1472	1390	69.58
7	A'	1412	1334	15.63
8	A'	1327	1253	44.87
9	A'	1161	1097	73.13
10	A'	892	842	42.11
11	A'	772	729	9.75
12	A'	308	291	21.87
13	A"	3092	2920	18.00
14	A"	1268	1198	2.02
15	A"	1123	1061	0.32
16	A"	739	698	0.02
17	A"	418	394	77.67
18	A"	201	190	4.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.934	0.000
C2	-0.927	0.269	0.000
O3	1.346	-0.572	0.000
O4	-0.505	1.401	0.000
H5	1.324	0.390	0.000
H6	-0.240	-1.541	0.882
H7	-0.240	-1.541	-0.882
H8	-2.013	0.050	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5195	1.3940	2.3895	1.8731	1.0972	1.0972	2.2407
C2	1.5195		2.4240	1.2080	2.2548	2.1276	2.1276	1.1077
O3	1.3940	2.4240		2.7054	0.9625	2.0575	2.0575	3.4160
O4	2.3895	1.2080	2.7054		2.0899	3.0826	3.0826	2.0249
H5	1.8731	2.2548	0.9625	2.0899		2.6372	2.6372	3.3545
H6	1.0972	2.1276	2.0575	3.0826	2.6372		1.7649	2.5398
H7	1.0972	2.1276	2.0575	3.0826	2.6372	1.7649		2.5398
H8	2.2407	1.1077	3.4160	2.0249	3.3545	2.5398	2.5398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.932	C1	C2	H8	116.172
C1	O3	H5	103.774	C2	C1	O3	112.534
C2	C1	H6	107.702	C2	C1	H7	107.702
O3	C1	H6	110.795	O3	C1	H7	110.795
O4	C2	H8	121.896	H6	C1	H7	107.085

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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