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	hartrees
Energy at 0K	-228.525371
Energy at 298.15K	-228.530148
HF Energy	-227.829629
Nuclear repulsion energy	119.601921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3871	3697	57.61
2	A'	3039	2902	54.60
3	A'	3001	2866	62.00
4	A'	1865	1781	110.39
5	A'	1525	1456	9.08
6	A'	1492	1425	63.53
7	A'	1429	1365	19.58
8	A'	1337	1277	38.20
9	A'	1173	1121	68.51
10	A'	893	853	41.91
11	A'	778	743	14.98
12	A'	302	289	21.82
13	A"	3067	2930	30.11
14	A"	1275	1218	1.56
15	A"	1136	1085	0.86
16	A"	751	718	0.37
17	A"	353	338	83.69
18	A"	117	111	19.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.937	0.000
C2	0.927	-0.262	0.000
O3	-1.346	0.555	0.000
O4	0.506	-1.390	0.000
H5	-1.336	-0.406	0.000
H6	0.242	1.544	0.886
H7	0.242	1.544	-0.886
H8	2.013	-0.046	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5153	1.3996	2.3815	1.8948	1.1006	1.1006	2.2401
C2	1.5153		2.4157	1.2043	2.2679	2.1246	2.1246	1.1070
O3	1.3996	2.4157		2.6862	0.9613	2.0699	2.0699	3.4127
O4	2.3815	1.2043	2.6862		2.0887	3.0760	3.0760	2.0188
H5	1.8948	2.2679	0.9613	2.0887		2.6603	2.6603	3.3684
H6	1.1006	2.1246	2.0699	3.0760	2.6603		1.7716	2.5396
H7	1.1006	2.1246	2.0699	3.0760	2.6603	1.7716		2.5396
H8	2.2401	1.1070	3.4127	2.0188	3.3684	2.5396	2.5396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.834	C1	C2	H8	116.492
C1	O3	H5	105.232	C2	C1	O3	111.877
C2	C1	H6	107.566	C2	C1	H7	107.566
O3	C1	H6	111.206	O3	C1	H7	111.206
O4	C2	H8	121.674	H6	C1	H7	107.195

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

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

States and conformations

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