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	hartrees
Energy at 0K	-228.307418
Energy at 298.15K	-228.312320
HF Energy	-227.762099
Nuclear repulsion energy	119.964276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3564	70.82
2	A'	3132	2893	79.11
3	A'	3112	2875	21.98
4	A'	1929	1782	128.73
5	A'	1590	1469	6.22
6	A'	1539	1422	77.53
7	A'	1480	1367	17.35
8	A'	1379	1273	61.58
9	A'	1210	1117	77.60
10	A'	930	859	44.94
11	A'	796	735	16.30
12	A'	320	295	22.55
13	A"	3155	2914	29.88
14	A"	1315	1215	2.42
15	A"	1185	1094	0.18
16	A"	785	726	0.56
17	A"	374	345	110.20
18	A"	154	142	14.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.934	0.000
C2	0.924	-0.253	0.000
O3	-1.340	0.545	0.000
O4	0.507	-1.384	0.000
H5	-1.349	-0.421	0.000
H6	0.230	1.546	0.879
H7	0.230	1.546	-0.879
H8	2.003	-0.042	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5051	1.3953	2.3732	1.9126	1.0952	1.0952	2.2287
C2	1.5051		2.4007	1.2052	2.2797	2.1194	2.1194	1.0992
O3	1.3953	2.4007		2.6702	0.9660	2.0591	2.0591	3.3941
O4	2.3732	1.2052	2.6702		2.0909	3.0714	3.0714	2.0096
H5	1.9126	2.2797	0.9660	2.0909		2.6715	2.6715	3.3736
H6	1.0952	2.1194	2.0591	3.0714	2.6715		1.7578	2.5374
H7	1.0952	2.1194	2.0591	3.0714	2.6715	1.7578		2.5374
H8	2.2287	1.0992	3.3941	2.0096	3.3736	2.5374	2.5374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.840	C1	C2	H8	116.830
C1	O3	H5	106.772	C2	C1	O3	111.674
C2	C1	H6	108.149	C2	C1	H7	108.149
O3	C1	H6	110.969	O3	C1	H7	110.969
O4	C2	H8	121.331	H6	C1	H7	106.740

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

using model chemistry: CID/6-31G*

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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Number	Element	Mulliken
1	C	-0.048
2	C	0.292
3	O	-0.748
4	O	-0.498
5	H	0.474
6	H	0.180
7	H	0.180
8	H	0.169

<r²>	72.626
(<r²>)^1/2	8.522

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

using model chemistry: CID/6-31G*

States and conformations

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