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	hartrees
Energy at 0K	-61.540931
Energy at 298.15K
HF Energy	-61.540931
Nuclear repulsion energy	97.829972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3656	3540	44.15
2	A'	3642	3527	29.10
3	A'	3066	2969	33.22
4	A'	1679	1626	223.34
5	A'	1494	1446	19.40
6	A'	1437	1392	10.22
7	A'	1313	1272	92.75
8	A'	1268	1228	54.10
9	A'	1109	1074	118.21
10	A'	1036	1003	248.90
11	A'	845	818	32.89
12	A'	611	591	13.48
13	A'	445	431	34.96
14	A'	259	251	9.04
15	A"	3114	3016	23.85
16	A"	1214	1176	1.57
17	A"	1041	1008	1.77
18	A"	626	606	203.28
19	A"	499	484	10.67
20	A"	240	233	113.25
21	A"	51i	50i	54.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.610	-0.880	0.000
C2	0.000	0.531	0.000
O3	-0.974	1.521	0.000
O4	1.228	0.772	0.000
O5	0.422	-1.902	0.000
H6	-1.247	-0.990	0.895
H7	-1.247	-0.990	-0.895
H8	1.316	-1.479	0.000
H9	-0.571	2.424	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5370	2.4284	2.4716	1.4531	1.1038	1.1038	2.0168	3.3042
C2	1.5370		1.3892	1.2516	2.4693	2.1605	2.1605	2.4018	1.9775
O3	2.4284	1.3892		2.3263	3.6971	2.6794	2.6794	3.7738	0.9889
O4	2.4716	1.2516	2.3263		2.7928	3.1672	3.1672	2.2523	2.4427
O5	1.4531	2.4693	3.6971	2.7928		2.1026	2.1026	0.9884	4.4388
H6	1.1038	2.1605	2.6794	3.1672	2.1026		1.7896	2.7582	3.5932
H7	1.1038	2.1605	2.6794	3.1672	2.1026	1.7896		2.7582	3.5932
H8	2.0168	2.4018	3.7738	2.2523	0.9884	2.7582	2.7582		4.3348
H9	3.3042	1.9775	0.9889	2.4427	4.4388	3.5932	3.5932	4.3348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.074	C1	C2	O4	124.505
C1	O5	H8	109.926	C2	C1	O5	111.312
C2	C1	H6	108.686	C2	C1	H7	108.686
C2	O3	H9	111.410	O3	C2	O4	123.420
O5	C1	H6	109.884	O5	C1	H7	109.884
H6	C1	H7	108.323

All results from a given calculation for HOCH₂COOH (Hydroxyacetic acid)

using model chemistry: B3LYP/CEP-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	-0.127
2	C	-0.151
3	O	-0.305
4	O	-0.120
5	O	-0.423
6	H	0.191
7	H	0.191
8	H	0.352
9	H	0.392

	x	y	z	Total
	-1.400	2.274	0.000	2.670
CHELPG
AIM
ESP

	x	y	z
x	5.418	-0.140	0.000
y	-0.140	5.342	0.000
z	0.000	0.000	2.774

<r²>	96.328
(<r²>)^1/2	9.815

All results from a given calculation for HOCH2COOH (Hydroxyacetic acid)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for HOCH₂COOH (Hydroxyacetic acid)