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	hartrees
Energy at 0K	-304.215368
Energy at 298.15K	-304.220703
HF Energy	-304.215368
Nuclear repulsion energy	177.702012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3519	3491	28.36
2	A	3494	3465	54.96
3	A	2938	2914	33.43
4	A	2923	2899	35.94
5	A	1751	1736	221.86
6	A	1488	1476	7.06
7	A	1444	1432	42.03
8	A	1329	1318	98.17
9	A	1275	1265	21.43
10	A	1211	1201	1.41
11	A	1136	1127	143.50
12	A	1066	1057	201.94
13	A	1018	1010	0.54
14	A	823	817	35.30
15	A	655	649	125.64
16	A	622	617	13.45
17	A	487	483	2.48
18	A	454	450	25.21
19	A	295	292	65.60
20	A	276	274	9.50
21	A	21	21	16.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.751	-0.750	0.026
C2	0.524	0.103	0.007
O3	1.649	-0.656	-0.020
O4	0.510	1.324	0.015
O5	-1.910	0.052	-0.025
H6	-0.708	-1.456	-0.826
H7	-0.735	-1.366	0.947
H8	-1.604	0.982	-0.053
H9	2.419	-0.047	-0.025

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5344	2.4022	2.4273	1.4099	1.1080	1.1087	1.9320	3.2478
C2	1.5344		1.3563	1.2218	2.4350	2.1546	2.1515	2.3037	1.9008
O3	2.4022	1.3563		2.2845	3.6282	2.6160	2.6687	3.6418	0.9820
O4	2.4273	1.2218	2.2845		2.7338	3.1500	3.1077	2.1423	2.3511
O5	1.4099	2.4350	3.6282	2.7338		2.0890	2.0826	0.9793	4.3301
H6	1.1080	2.1546	2.6160	3.1500	2.0890		1.7760	2.7108	3.5222
H7	1.1087	2.1515	2.6687	3.1077	2.0826	1.7760		2.6963	3.5545
H8	1.9320	2.3037	3.6418	2.1423	0.9793	2.7108	2.6963		4.1527
H9	3.2478	1.9008	0.9820	2.3511	4.3301	3.5222	3.5545	4.1527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.262	C1	C2	O4	123.046
C1	O5	H8	106.529	C2	C1	O5	111.515
C2	C1	H6	108.168	C2	C1	H7	107.891
C2	O3	H9	107.690	O3	C2	O4	124.691
O5	C1	H6	111.567	O5	C1	H7	110.994
H6	C1	H7	106.490

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	-0.056
2	C	0.490
3	O	-0.510
4	O	-0.433
5	O	-0.581
6	H	0.154
7	H	0.153
8	H	0.387
9	H	0.395

	x	y	z	Total
	2.234	-0.685	0.031	2.337
CHELPG
AIM
ESP

	x	y	z
x	5.642	-0.110	-0.003
y	-0.110	5.343	-0.000
z	-0.003	-0.000	3.032

<r²>	113.041
(<r²>)^1/2	10.632

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)