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	hartrees
Energy at 0K	-304.209230
Energy at 298.15K	-304.214902
HF Energy	-303.872329
Nuclear repulsion energy	180.135778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3760	3607	72.92
2	A	3751	3599	81.40
3	A	3072	2947	14.83
4	A	3042	2918	29.65
5	A	1806	1733	263.58
6	A	1511	1450	8.65
7	A	1483	1423	8.85
8	A	1363	1308	128.57
9	A	1308	1255	23.52
10	A	1265	1214	0.17
11	A	1180	1132	120.67
12	A	1121	1076	240.25
13	A	1050	1007	1.34
14	A	867	832	35.34
15	A	657	630	114.06
16	A	652	625	17.85
17	A	512	492	9.49
18	A	474	455	24.95
19	A	342	328	75.67
20	A	282	270	9.18
21	A	94	91	8.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.737	-0.745	0.013
C2	0.516	0.102	0.003
O3	1.630	-0.643	-0.011
O4	0.499	1.307	0.007
O5	-1.886	0.051	-0.014
H6	-0.697	-1.421	-0.845
H7	-0.713	-1.365	0.913
H8	-1.589	0.968	-0.020
H9	2.386	-0.042	-0.008

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5122	2.3692	2.3955	1.3972	1.0927	1.0934	1.9128	3.2017
C2	1.5122		1.3399	1.2056	2.4020	2.1227	2.1187	2.2759	1.8760
O3	2.3692	1.3399		2.2545	3.5830	2.5906	2.6196	3.5990	0.9662
O4	2.3955	1.2056	2.2545		2.6952	3.0976	3.0707	2.1152	2.3203
O5	1.3972	2.4020	3.5830	2.6952		2.0661	2.0588	0.9637	4.2728
H6	1.0927	2.1227	2.5906	3.0976	2.0661		1.7590	2.6796	3.4789
H7	1.0934	2.1187	2.6196	3.0707	2.0588	1.7590		2.6606	3.4935
H8	1.9128	2.2759	3.5990	2.1152	0.9637	2.6796	2.6606		4.1014
H9	3.2017	1.8760	0.9662	2.3203	4.2728	3.4789	3.4935	4.1014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.195	C1	C2	O4	123.227
C1	O5	H8	106.787	C2	C1	O5	111.232
C2	C1	H6	108.062	C2	C1	H7	107.723
C2	O3	H9	107.776	O3	C2	O4	124.578
O5	C1	H6	111.572	O5	C1	H7	110.921
H6	C1	H7	107.144

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

using model chemistry: B2PLYP/cc-pVTZ

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	0.069
2	C	0.315
3	O	-0.285
4	O	-0.356
5	O	-0.379
6	H	0.084
7	H	0.083
8	H	0.231
9	H	0.238

	x	y	z
x	5.853	-0.087	-0.001
y	-0.087	5.651	-0.000
z	-0.001	-0.000	3.658

<r²>	110.892
(<r²>)^1/2	10.531

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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