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	hartrees
Energy at 0K	-304.017898
Energy at 298.15K	-304.023531
HF Energy	-304.017898
Nuclear repulsion energy	180.320015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3807	3635	84.42
2	A	3778	3608	89.09
3	A	3081	2942	11.13
4	A	3047	2909	29.18
5	A	1848	1764	330.43
6	A	1493	1426	3.59
7	A	1480	1413	16.19
8	A	1362	1300	162.53
9	A	1291	1233	20.73
10	A	1252	1195	0.48
11	A	1197	1143	112.82
12	A	1150	1098	241.37
13	A	1036	989	1.71
14	A	877	837	44.45
15	A	659	629	136.80
16	A	655	625	17.39
17	A	509	486	8.16
18	A	478	456	28.93
19	A	337	322	96.29
20	A	282	269	9.31
21	A	84	81	14.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.739	-0.747	0.000
C2	0.513	0.092	-0.000
O3	1.633	-0.638	-0.000
O4	0.496	1.304	0.000
O5	-1.881	0.056	0.000
H6	-0.715	-1.400	-0.884
H7	-0.715	-1.399	0.884
H8	-1.580	0.977	-0.000
H9	2.384	-0.025	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5068	2.3740	2.3935	1.3956	1.0990	1.0991	1.9184	3.2048
C2	1.5068		1.3369	1.2113	2.3936	2.1248	2.1246	2.2723	1.8745
O3	2.3740	1.3369		2.2494	3.5811	2.6219	2.6217	3.5960	0.9693
O4	2.3935	1.2113	2.2494		2.6844	3.0912	3.0908	2.1019	2.3079
O5	1.3956	2.3936	3.5811	2.6844		2.0634	2.0633	0.9692	4.2650
H6	1.0990	2.1248	2.6219	3.0912	2.0634		1.7680	2.6792	3.5035
H7	1.0991	2.1246	2.6217	3.0908	2.0633	1.7680		2.6793	3.5031
H8	1.9184	2.2723	3.5960	2.1019	0.9692	2.6792	2.6793		4.0884
H9	3.2048	1.8745	0.9693	2.3079	4.2650	3.5035	3.5031	4.0884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.063	C1	C2	O4	123.057
C1	O5	H8	107.046	C2	C1	O5	111.057
C2	C1	H6	108.236	C2	C1	H7	108.213
C2	O3	H9	107.674	O3	C2	O4	123.881
O5	C1	H6	111.052	O5	C1	H7	111.043
H6	C1	H7	107.088

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.102
2	C	0.387
3	O	-0.424
4	O	-0.480
5	O	-0.499
6	H	0.186
7	H	0.186
8	H	0.368
9	H	0.377

	x	y	z	Total
	2.296	-0.994	-0.000	2.502
CHELPG
AIM
ESP

	x	y	z
x	5.869	-0.107	0.000
y	-0.107	5.893	0.000
z	0.000	0.000	3.850

<r²>	110.905
(<r²>)^1/2	10.531

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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