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	hartrees
Energy at 0K	-227.705051
Energy at 298.15K	-227.709933
Nuclear repulsion energy	118.673167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4026	3625	70.62
2	A'	3272	2946	87.89
3	A'	3235	2913	21.10
4	A'	1883	1696	159.23
5	A'	1648	1483	14.78
6	A'	1553	1399	42.96
7	A'	1518	1367	10.50
8	A'	1369	1233	85.38
9	A'	1202	1082	81.70
10	A'	943	849	53.84
11	A'	797	718	24.86
12	A'	300	270	25.37
13	A"	3279	2953	36.30
14	A"	1359	1224	3.42
15	A"	1227	1105	0.21
16	A"	840	757	0.05
17	A"	339	306	196.69
18	A"	157	142	37.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.936	0.000
C2	0.941	-0.244	0.000
O3	-1.365	0.546	0.000
O4	0.545	-1.397	0.000
H5	-1.487	-0.402	0.000
H6	0.202	1.542	0.875
H7	0.202	1.542	-0.875
H8	2.002	-0.018	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5093	1.4200	2.3956	2.0004	1.0837	1.0837	2.2177
C2	1.5093		2.4381	1.2193	2.4335	2.1221	2.1221	1.0848
O3	1.4200	2.4381		2.7246	0.9558	2.0531	2.0531	3.4144
O4	2.3956	1.2193	2.7246		2.2623	3.0859	3.0859	2.0066
H5	2.0004	2.4335	0.9558	2.2623		2.7203	2.7203	3.5104
H6	1.0837	2.1221	2.0531	3.0859	2.7203		1.7500	2.5378
H7	1.0837	2.1221	2.0531	3.0859	2.7203	1.7500		2.5378
H8	2.2177	1.0848	3.4144	2.0066	3.5104	2.5378	2.5378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.438	C1	C2	H8	116.548
C1	O3	H5	113.254	C2	C1	O3	112.643
C2	C1	H6	108.740	C2	C1	H7	108.740
O3	C1	H6	109.448	O3	C1	H7	109.448
O4	C2	H8	121.014	H6	C1	H7	107.696

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

using model chemistry: HF/SDD

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	-0.147
2	C	0.144
3	O	-0.629
4	O	-0.367
5	H	0.425
6	H	0.201
7	H	0.201
8	H	0.171

	x	y	z	Total
	2.697	1.876	0.000	3.286
CHELPG
AIM
ESP

	x	y	z
x	3.595	0.390	0.000
y	0.390	4.477	0.000
z	0.000	0.000	2.402

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/SDD

States and conformations

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