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	hartrees
Energy at 0K	-303.956666
Energy at 298.15K	-303.962170
HF Energy	-303.956666
Nuclear repulsion energy	178.737809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3561	3510	37.71
2	A'	3513	3462	68.47
3	A'	2933	2891	33.88
4	A'	1779	1753	228.87
5	A'	1478	1457	9.74
6	A'	1450	1430	32.30
7	A'	1346	1327	130.69
8	A'	1272	1254	16.73
9	A'	1154	1138	117.47
10	A'	1102	1086	215.00
11	A'	842	830	39.61
12	A'	630	621	13.66
13	A'	460	454	28.42
14	A'	282	278	8.65
15	A"	2951	2909	28.74
16	A"	1206	1188	1.65
17	A"	1013	998	0.75
18	A"	666	657	128.16
19	A"	492	485	1.30
20	A"	331	326	71.09
21	A"	67	66	11.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.615	-0.868	0.000
C2	0.000	0.522	0.000
O3	-0.923	1.513	0.000
O4	1.210	0.711	0.000
O5	0.389	-1.853	0.000
H6	-1.274	-0.956	0.889
H7	-1.274	-0.956	-0.889
H8	1.234	-1.344	0.000
H9	-0.410	2.355	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5197	2.4010	2.4132	1.4062	1.1107	1.1107	1.9089	3.2293
C2	1.5197		1.3544	1.2249	2.4064	2.1443	2.1443	2.2370	1.8782
O3	2.4010	1.3544		2.2788	3.6127	2.6477	2.6477	3.5798	0.9858
O4	2.4132	1.2249	2.2788		2.6923	3.1212	3.1212	2.0553	2.3077
O5	1.4062	2.4064	3.6127	2.6923		2.0886	2.0886	0.9863	4.2829
H6	1.1107	2.1443	2.6477	3.1212	2.0886		1.7789	2.6893	3.5354
H7	1.1107	2.1443	2.6477	3.1212	2.0886	1.7789		2.6893	3.5354
H8	1.9089	2.2370	3.5798	2.0553	0.9863	2.6893	2.6893		4.0476
H9	3.2293	1.8782	0.9858	2.3077	4.2829	3.5354	3.5354	4.0476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.192	C1	C2	O4	122.748
C1	O5	H8	104.481	C2	C1	O5	110.601
C2	C1	H6	108.207	C2	C1	H7	108.207
C2	O3	H9	105.675	O3	C2	O4	124.060
O5	C1	H6	111.618	O5	C1	H7	111.618
H6	C1	H7	106.407

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

using model chemistry: PBEPBE/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	-0.120
2	C	0.481
3	O	-0.515
4	O	-0.431
5	O	-0.586
6	H	0.180
7	H	0.180
8	H	0.401
9	H	0.410

	x	y	z	Total
	-1.087	2.156	0.000	2.414
CHELPG
AIM
ESP

	x	y	z
x	5.375	-0.132	0.000
y	-0.132	5.542	0.000
z	0.000	0.000	3.053

<r²>	111.653
(<r²>)^1/2	10.567

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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