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	hartrees
Energy at 0K	-228.534804
Energy at 298.15K	-228.539583
HF Energy	-227.828918
Nuclear repulsion energy	119.421368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3836	3660	57.14
2	A'	3027	2888	57.87
3	A'	2987	2850	67.78
4	A'	1814	1730	115.38
5	A'	1520	1450	9.44
6	A'	1486	1418	68.36
7	A'	1417	1352	17.66
8	A'	1331	1270	36.18
9	A'	1163	1110	65.88
10	A'	886	845	43.29
11	A'	772	737	13.44
12	A'	301	288	22.16
13	A"	3053	2913	31.74
14	A"	1267	1209	1.65
15	A"	1129	1077	0.69
16	A"	746	712	0.47
17	A"	363	346	83.16
18	A"	118	113	16.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.939	0.000
C2	0.929	-0.260	0.000
O3	-1.347	0.553	0.000
O4	0.504	-1.393	0.000
H5	-1.330	-0.410	0.000
H6	0.242	1.546	0.887
H7	0.242	1.546	-0.887
H8	2.015	-0.044	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5164	1.4013	2.3862	1.8941	1.1013	1.1013	2.2423
C2	1.5164		2.4164	1.2101	2.2630	2.1255	2.1255	1.1077
O3	1.4013	2.4164		2.6862	0.9632	2.0730	2.0730	3.4149
O4	2.3862	1.2101	2.6862		2.0809	3.0811	3.0811	2.0251
H5	1.8941	2.2630	0.9632	2.0809		2.6611	2.6611	3.3646
H6	1.1013	2.1255	2.0730	3.0811	2.6611		1.7730	2.5414
H7	1.1013	2.1255	2.0730	3.0811	2.6611	1.7730		2.5414
H8	2.2423	1.1077	3.4149	2.0251	3.3646	2.5414	2.5414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.728	C1	C2	H8	116.548
C1	O3	H5	104.948	C2	C1	O3	111.767
C2	C1	H6	107.521	C2	C1	H7	107.521
O3	C1	H6	111.292	O3	C1	H7	111.292
O4	C2	H8	121.724	H6	C1	H7	107.220

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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