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	hartrees
Energy at 0K	-304.121815
Energy at 298.15K
HF Energy	-304.121815
Nuclear repulsion energy	175.428097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3432	3406	15.60
2	A'	3397	3371	20.00
3	A'	2956	2934	24.36
4	A'	1658	1645	172.12
5	A'	1493	1481	12.70
6	A'	1415	1405	36.56
7	A'	1309	1299	90.92
8	A'	1268	1258	30.76
9	A'	1079	1071	151.83
10	A'	989	981	183.78
11	A'	823	817	35.92
12	A'	605	601	11.36
13	A'	446	443	28.89
14	A'	270	268	9.25
15	A"	2980	2958	25.03
16	A"	1194	1185	2.52
17	A"	1025	1017	0.74
18	A"	643	638	169.94
19	A"	496	493	5.64
20	A"	268	266	94.47
21	A"	15i	15i	31.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.619	-0.866	0.000
C2	0.000	0.524	0.000
O3	-0.956	1.530	0.000
O4	1.231	0.738	0.000
O5	0.408	-1.893	0.000
H6	-1.267	-0.970	0.891
H7	-1.267	-0.970	-0.891
H8	1.290	-1.430	0.000
H9	-0.507	2.418	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5210	2.4189	2.4487	1.4525	1.1062	1.1062	1.9913	3.2860
C2	1.5210		1.3877	1.2497	2.4502	2.1513	2.1513	2.3411	1.9615
O3	2.4189	1.3877		2.3256	3.6839	2.6716	2.6716	3.7154	0.9956
O4	2.4487	1.2497	2.3256		2.7564	3.1543	3.1543	2.1687	2.4173
O5	1.4525	2.4502	3.6839	2.7564		2.1095	2.1095	0.9964	4.4069
H6	1.1062	2.1513	2.6716	3.1543	2.1095		1.7817	2.7467	3.5848
H7	1.1062	2.1513	2.6716	3.1543	2.1095	1.7817		2.7467	3.5848
H8	1.9913	2.3411	3.7154	2.1687	0.9964	2.7467	2.7467		4.2472
H9	3.2860	1.9615	0.9956	2.4173	4.4069	3.5848	3.5848	4.2472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.449	C1	C2	O4	123.913
C1	O5	H8	107.346	C2	C1	O5	110.961
C2	C1	H6	108.918	C2	C1	H7	108.918
C2	O3	H9	109.675	O3	C2	O4	123.639
O5	C1	H6	110.333	O5	C1	H7	110.333
H6	C1	H7	107.285

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

using model chemistry: BLYP/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	-0.023
2	C	0.381
3	O	-0.488
4	O	-0.374
5	O	-0.563
6	H	0.168
7	H	0.168
8	H	0.358
9	H	0.374

	x	y	z	Total
	-1.091	2.321	0.000	2.564
CHELPG
AIM
ESP

	x	y	z
x	5.498	-0.242	0.000
y	-0.242	5.584	0.000
z	0.000	0.000	2.668

<r²>	115.881
(<r²>)^1/2	10.765

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

using model chemistry: BLYP/6-31G

States and conformations

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