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	hartrees
Energy at 0K	-304.417921
Energy at 298.15K	-304.423595
HF Energy	-304.417921
Nuclear repulsion energy	179.933258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3712	3595	58.69
2	A	3669	3552	73.04
3	A	3028	2932	18.48
4	A	3004	2909	32.68
5	A	1795	1738	273.62
6	A	1499	1452	9.01
7	A	1465	1419	11.74
8	A	1350	1307	125.50
9	A	1290	1249	27.51
10	A	1246	1206	0.17
11	A	1164	1127	128.06
12	A	1104	1069	227.14
13	A	1035	1002	1.05
14	A	854	827	36.61
15	A	656	636	113.74
16	A	642	621	15.92
17	A	506	490	4.61
18	A	464	449	27.02
19	A	371	360	73.57
20	A	274	266	9.52
21	A	102	98	6.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.739	-0.750	0.015
C2	0.515	0.100	0.005
O3	1.635	-0.640	-0.012
O4	0.493	1.307	0.008
O5	-1.884	0.053	-0.016
H6	-0.702	-1.431	-0.843
H7	-0.721	-1.369	0.921
H8	-1.576	0.970	-0.026
H9	2.392	-0.036	-0.013

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5150	2.3764	2.3979	1.3987	1.0965	1.0972	1.9133	3.2118
C2	1.5150		1.3423	1.2072	2.3997	2.1315	2.1274	2.2651	1.8821
O3	2.3764	1.3423		2.2571	3.5864	2.6026	2.6369	3.5920	0.9691
O4	2.3979	1.2072	2.2571		2.6882	3.1064	3.0773	2.0970	2.3257
O5	1.3987	2.3997	3.5864	2.6882		2.0696	2.0622	0.9677	4.2772
H6	1.0965	2.1315	2.6026	3.1064	2.0696		1.7654	2.6829	3.4939
H7	1.0972	2.1274	2.6369	3.0773	2.0622	1.7654		2.6643	3.5133
H8	1.9133	2.2651	3.5920	2.0970	0.9677	2.6829	2.6643		4.0938
H9	3.2118	1.8821	0.9691	2.3257	4.2772	3.4939	3.5133	4.0938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.408	C1	C2	O4	123.097
C1	O5	H8	106.479	C2	C1	O5	110.826
C2	C1	H6	108.344	C2	C1	H7	107.990
C2	O3	H9	107.943	O3	C2	O4	124.495
O5	C1	H6	111.505	O5	C1	H7	110.848
H6	C1	H7	107.176

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

using model chemistry: TPSSh/cc-pVTZ

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	0.099
2	C	0.259
3	O	-0.250
4	O	-0.319
5	O	-0.350
6	H	0.061
7	H	0.061
8	H	0.214
9	H	0.225

	x	y	z	Total
	-2.118	-0.944	0.000	2.319
CHELPG
AIM
ESP

	x	y	z
x	6.069	0.058	0.000
y	0.058	5.747	0.000
z	0.000	0.000	3.709

<r²>	110.801
(<r²>)^1/2	10.526

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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