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	hartrees
Energy at 0K	-304.164061
Energy at 298.15K	-304.169551
HF Energy	-304.164061
Nuclear repulsion energy	180.345925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3751	3552	63.97
2	A	3749	3550	103.82
3	A	3104	2940	20.77
4	A	3071	2908	23.04
5	A	1903	1802	298.58
6	A	1532	1450	4.44
7	A	1521	1440	12.95
8	A	1398	1324	186.13
9	A	1328	1258	12.42
10	A	1263	1196	0.56
11	A	1224	1159	149.99
12	A	1173	1111	204.49
13	A	1060	1004	1.34
14	A	886	839	42.04
15	A	666	631	34.96
16	A	664	629	135.95
17	A	503	477	9.93
18	A	484	459	27.81
19	A	300	284	6.51
20	A	278	263	80.83
21	A	29	28	24.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.743	-0.750	0.005
C2	0.512	0.095	0.001
O3	1.631	-0.639	-0.003
O4	0.498	1.301	0.002
O5	-1.880	0.060	-0.006
H6	-0.713	-1.408	-0.874
H7	-0.715	-1.393	0.894
H8	-1.566	0.980	0.007
H9	2.382	-0.020	-0.004

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5127	2.3763	2.3971	1.3955	1.0982	1.0985	1.9154	3.2086
C2	1.5127		1.3377	1.2068	2.3926	2.1269	2.1260	2.2596	1.8727
O3	2.3763	1.3377		2.2469	3.5796	2.6163	2.6225	3.5840	0.9735
O4	2.3971	1.2068	2.2469		2.6828	3.0939	3.0871	2.0897	2.3004
O5	1.3955	2.3926	3.5796	2.6828		2.0657	2.0680	0.9722	4.2622
H6	1.0982	2.1269	2.6163	3.0939	2.0657		1.7684	2.6839	3.5018
H7	1.0985	2.1260	2.6225	3.0871	2.0680	1.7684		2.6727	3.5049
H8	1.9154	2.2596	3.5840	2.0897	0.9722	2.6839	2.6727		4.0727
H9	3.2086	1.8727	0.9735	2.3004	4.2622	3.5018	3.5049	4.0727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.813	C1	C2	O4	123.243
C1	O5	H8	106.623	C2	C1	O5	110.648
C2	C1	H6	108.054	C2	C1	H7	107.958
C2	O3	H9	107.191	O3	C2	O4	123.944
O5	C1	H6	111.308	O5	C1	H7	111.482
H6	C1	H7	107.228

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

using model chemistry: M06-2X/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	-0.085
2	C	0.553
3	O	-0.589
4	O	-0.482
5	O	-0.655
6	H	0.189
7	H	0.188
8	H	0.438
9	H	0.442

	x	y	z	Total
	2.284	-0.725	0.028	2.397
CHELPG
AIM
ESP

	x	y	z
x	4.917	-0.124	-0.002
y	-0.124	5.037	0.002
z	-0.002	0.002	2.980

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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