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	hartrees
Energy at 0K	-228.441470
Energy at 298.15K	-228.446252
HF Energy	-227.781483
Nuclear repulsion energy	119.121676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3854	3632	63.08
2	A'	3088	2910	70.22
3	A'	3067	2890	30.56
4	A'	1849	1742	118.57
5	A'	1545	1456	9.34
6	A'	1482	1397	46.43
7	A'	1441	1357	17.87
8	A'	1321	1244	47.65
9	A'	1162	1095	73.37
10	A'	901	849	46.89
11	A'	768	724	14.21
12	A'	298	281	21.03
13	A"	3121	2941	19.85
14	A"	1275	1201	2.77
15	A"	1143	1077	0.97
16	A"	758	714	0.11
17	A"	348	328	105.11
18	A"	132	124	21.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.936	0.000
C2	0.932	-0.251	0.000
O3	-1.354	0.551	0.000
O4	0.520	-1.396	0.000
H5	-1.377	-0.415	0.000
H6	0.225	1.546	0.882
H7	0.225	1.546	-0.882
H8	2.010	-0.033	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5097	1.4075	2.3893	1.9296	1.0959	1.0959	2.2317
C2	1.5097		2.4223	1.2162	2.3144	2.1234	2.1234	1.1002
O3	1.4075	2.4223		2.7020	0.9671	2.0644	2.0644	3.4142
O4	2.3893	1.2162	2.7020		2.1349	3.0854	3.0854	2.0193
H5	1.9296	2.3144	0.9671	2.1349		2.6821	2.6821	3.4084
H6	1.0959	2.1234	2.0644	3.0854	2.6821		1.7647	2.5413
H7	1.0959	2.1234	2.0644	3.0854	2.6821	1.7647		2.5413
H8	2.2317	1.1002	3.4142	2.0193	3.4084	2.5413	2.5413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.091	C1	C2	H8	116.668
C1	O3	H5	107.246	C2	C1	O3	112.229
C2	C1	H6	108.114	C2	C1	H7	108.114
O3	C1	H6	110.486	O3	C1	H7	110.486
O4	C2	H8	121.240	H6	C1	H7	107.239

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

using model chemistry: CCD/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: CCD/6-31+G**

States and conformations

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