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	hartrees
Energy at 0K	-61.550906
Energy at 298.15K
HF Energy	-61.550906
Nuclear repulsion energy	98.188545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3620	3528	38.74
2	A'	3602	3510	26.88
3	A'	3022	2945	26.47
4	A'	1677	1634	237.51
5	A'	1505	1467	19.28
6	A'	1439	1403	13.43
7	A'	1315	1281	94.75
8	A'	1273	1241	46.79
9	A'	1111	1082	109.76
10	A'	1038	1012	264.21
11	A'	839	818	33.06
12	A'	610	594	15.01
13	A'	445	434	34.67
14	A'	259	253	9.25
15	A"	3068	2990	21.65
16	A"	1222	1191	1.59
17	A"	1042	1015	0.82
18	A"	629	613	196.01
19	A"	500	487	7.53
20	A"	255	248	112.97
21	A"	54i	53i	43.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.617	-0.873	0.000
C2	0.000	0.527	0.000
O3	-0.959	1.528	0.000
O4	1.229	0.752	0.000
O5	0.411	-1.895	0.000
H6	-1.253	-0.979	0.889
H7	-1.253	-0.979	-0.889
H8	1.299	-1.472	0.000
H9	-0.543	2.421	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5291	2.4252	2.4588	1.4501	1.0980	1.0980	2.0076	3.2942
C2	1.5291		1.3865	1.2492	2.4567	2.1508	2.1508	2.3837	1.9703
O3	2.4252	1.3865		2.3208	3.6876	2.6763	2.6763	3.7549	0.9845
O4	2.4588	1.2492	2.3208		2.7710	3.1535	3.1535	2.2252	2.4333
O5	1.4501	2.4567	3.6876	2.7710		2.0974	2.0974	0.9840	4.4202
H6	1.0980	2.1508	2.6763	3.1535	2.0974		1.7771	2.7472	3.5849
H7	1.0980	2.1508	2.6763	3.1535	2.0974	1.7771		2.7472	3.5849
H8	2.0076	2.3837	3.7549	2.2252	0.9840	2.7472	2.7472		4.3063
H9	3.2942	1.9703	0.9845	2.4333	4.4202	3.5849	3.5849	4.3063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.476	C1	C2	O4	124.193
C1	O5	H8	109.649	C2	C1	O5	111.067
C2	C1	H6	108.799	C2	C1	H7	108.799
C2	O3	H9	111.269	O3	C2	O4	123.331
O5	C1	H6	110.031	O5	C1	H7	110.031
H6	C1	H7	108.046

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

using model chemistry: B3LYP/CEP-121G

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	-0.193
2	C	0.047
3	O	-0.344
4	O	-0.173
5	O	-0.459
6	H	0.186
7	H	0.186
8	H	0.363
9	H	0.388

	x	y	z	Total
	-1.287	2.264	0.000	2.605
CHELPG
AIM
ESP

	x	y	z
x	5.719	-0.176	0.000
y	-0.176	5.499	0.000
z	0.000	0.000	3.185

<r²>	95.749
(<r²>)^1/2	9.785

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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