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	hartrees
Energy at 0K	-304.001041
Energy at 298.15K	-304.006534
HF Energy	-303.740402
Nuclear repulsion energy	179.540225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3701	3513	20.01
2	A	3700	3512	114.85
3	A	3093	2936	24.61
4	A	3062	2907	27.09
5	A	1834	1741	243.65
6	A	1550	1471	5.43
7	A	1514	1437	19.46
8	A	1389	1318	142.47
9	A	1328	1260	22.83
10	A	1266	1202	0.78
11	A	1203	1142	148.06
12	A	1136	1079	212.20
13	A	1066	1012	0.83
14	A	874	829	36.30
15	A	677	643	147.46
16	A	652	619	19.16
17	A	510	484	3.98
18	A	476	452	27.57
19	A	297	282	75.92
20	A	289	274	11.34
21	A	32	30	20.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.742	-0.752	0.004
C2	0.513	0.095	0.000
O3	1.639	-0.644	-0.003
O4	0.499	1.311	0.002
O5	-1.889	0.057	-0.005
H6	-0.716	-1.411	-0.873
H7	-0.717	-1.397	0.892
H8	-1.569	0.977	0.007
H9	2.385	-0.015	-0.003

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5136	2.3828	2.4069	1.4040	1.0974	1.0979	1.9169	3.2125
C2	1.5136		1.3463	1.2162	2.4023	2.1307	2.1296	2.2617	1.8753
O3	2.3828	1.3463		2.2629	3.5967	2.6253	2.6304	3.5944	0.9760
O4	2.4069	1.2162	2.2629		2.6967	3.1061	3.0991	2.0948	2.3059
O5	1.4040	2.4023	3.5967	2.6967		2.0694	2.0722	0.9738	4.2748
H6	1.0974	2.1307	2.6253	3.1061	2.0694		1.7653	2.6839	3.5105
H7	1.0979	2.1296	2.6304	3.0991	2.0722	1.7653		2.6732	3.5124
H8	1.9169	2.2617	3.5944	2.0948	0.9738	2.6839	2.6732		4.0771
H9	3.2125	1.8753	0.9760	2.3059	4.2748	3.5105	3.5124	4.0771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.723	C1	C2	O4	123.330
C1	O5	H8	106.027	C2	C1	O5	110.795
C2	C1	H6	108.326	C2	C1	H7	108.215
C2	O3	H9	106.622	O3	C2	O4	123.947
O5	C1	H6	111.050	O5	C1	H7	111.255
H6	C1	H7	107.054

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

using model chemistry: B2PLYP/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	-0.055
2	C	0.611
3	O	-0.616
4	O	-0.516
5	O	-0.677
6	H	0.185
7	H	0.184
8	H	0.440
9	H	0.445

	x	y	z
x	5.073	-0.145	-0.001
y	-0.145	5.094	0.001
z	-0.001	0.001	2.938

<r²>	111.219
(<r²>)^1/2	10.546

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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