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	hartrees
Energy at 0K	-302.579131
Energy at 298.15K	-302.584684
HF Energy	-302.579131
Nuclear repulsion energy	178.804665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4030	3627	80.75
2	A'	4028	3625	122.19
3	A'	3278	2950	29.27
4	A'	1884	1696	380.00
5	A'	1652	1486	20.88
6	A'	1584	1425	2.05
7	A'	1443	1298	98.41
8	A'	1373	1236	80.21
9	A'	1247	1122	137.37
10	A'	1170	1053	300.11
11	A'	925	832	44.66
12	A'	680	612	29.65
13	A'	491	441	37.37
14	A'	285	256	9.10
15	A"	3331	2997	21.64
16	A"	1358	1222	0.01
17	A"	1156	1041	3.77
18	A"	685	617	265.59
19	A"	553	497	29.65
20	A"	253	228	148.89
21	A"	36	33	61.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.592	-0.862	0.000
C2	0.000	0.525	0.000
O3	-0.946	1.486	0.000
O4	1.192	0.763	0.000
O5	0.416	-1.863	0.000
H6	-1.217	-0.970	0.875
H7	-1.217	-0.970	-0.875
H8	1.306	-1.514	0.000
H9	-0.613	2.383	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5084	2.3748	2.4136	1.4202	1.0802	1.0802	2.0069	3.2450
C2	1.5084		1.3487	1.2158	2.4237	2.1169	2.1169	2.4218	1.9564
O3	2.3748	1.3487		2.2577	3.6151	2.6213	2.6213	3.7517	0.9566
O4	2.4136	1.2158	2.2577		2.7380	3.0939	3.0939	2.2802	2.4259
O5	1.4202	2.4237	3.6151	2.7380		2.0558	2.0558	0.9557	4.3684
H6	1.0802	2.1169	2.6213	3.0939	2.0558		1.7494	2.7247	3.5173
H7	1.0802	2.1169	2.6213	3.0939	2.0558	1.7494		2.7247	3.5173
H8	2.0069	2.4218	3.7517	2.2802	0.9557	2.7247	2.7247		4.3442
H9	3.2450	1.9564	0.9566	2.4259	4.3684	3.5173	3.5173	4.3442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.321	C1	C2	O4	124.391
C1	O5	H8	113.847	C2	C1	O5	111.673
C2	C1	H6	108.599	C2	C1	H7	108.599
C2	O3	H9	115.067	O3	C2	O4	123.288
O5	C1	H6	109.868	O5	C1	H7	109.868
H6	C1	H7	108.151

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

using model chemistry: HF/LANL2DZ

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	-0.147
2	C	0.476
3	O	-0.594
4	O	-0.421
5	O	-0.629
6	H	0.220
7	H	0.220
8	H	0.427
9	H	0.448

	x	y	z	Total
	-1.525	2.256	0.000	2.723
CHELPG
AIM
ESP

	x	y	z
x	4.813	-0.063	0.000
y	-0.063	4.178	0.000
z	0.000	0.000	2.563

<r²>	113.658
(<r²>)^1/2	10.661

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

using model chemistry: HF/LANL2DZ

States and conformations

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