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	hartrees
Energy at 0K	-224.983031
Energy at 298.15K	-224.987763
HF Energy	-224.764527
Nuclear repulsion energy	116.412985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3770	3351	7.14
2	A'	3342	2971	23.07
3	A'	3334	2963	4.59
4	A'	1742	1548	16.37
5	A'	1713	1523	0.89
6	A'	1698	1509	33.26
7	A'	1457	1295	4.48
8	A'	1426	1268	28.59
9	A'	1195	1063	7.69
10	A'	956	850	8.06
11	A'	773	687	3.92
12	A'	277	246	15.19
13	A"	3433	3051	7.60
14	A"	1313	1167	0.16
15	A"	1121	997	1.81
16	A"	780	694	0.25
17	A"	483	429	58.42
18	A"	168	150	2.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.991	0.000
C2	0.977	-0.241	0.000
O3	-1.374	0.505	0.000
O4	0.480	-1.405	0.000
H5	-1.195	-0.501	0.000
H6	0.205	1.620	0.898
H7	0.205	1.620	-0.898
H8	2.078	-0.037	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5719	1.4572	2.4431	1.9117	1.1158	1.1158	2.3185
C2	1.5719		2.4661	1.2653	2.1875	2.2059	2.2059	1.1204
O3	1.4572	2.4661		2.6618	1.0220	2.1314	2.1314	3.4945
O4	2.4431	1.2653	2.6618		1.9036	3.1675	3.1675	2.1036
H5	1.9117	2.1875	1.0220	1.9036		2.6959	2.6959	3.3064
H6	1.1158	2.2059	2.1314	3.1675	2.6959		1.7962	2.6574
H7	1.1158	2.2059	2.1314	3.1675	2.6959	1.7962		2.6574
H8	2.3185	1.1204	3.4945	2.1036	3.3064	2.6574	2.6574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	118.485	C1	C2	H8	117.918
C1	O3	H5	99.405	C2	C1	O3	108.947
C2	C1	H6	109.143	C2	C1	H7	109.143
O3	C1	H6	111.179	O3	C1	H7	111.179
O4	C2	H8	123.596	H6	C1	H7	107.205

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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