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	hartrees
Energy at 0K	-304.065586
Energy at 298.15K	-304.071089
HF Energy	-304.065586
Nuclear repulsion energy	177.905795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3643	3489	46.42
2	A'	3607	3455	38.18
3	A'	3059	2929	18.88
4	A'	1755	1681	218.83
5	A'	1532	1467	16.04
6	A'	1470	1408	18.10
7	A'	1367	1309	126.47
8	A'	1308	1253	41.23
9	A'	1148	1099	133.48
10	A'	1072	1027	215.03
11	A'	873	837	46.89
12	A'	640	613	16.02
13	A'	470	450	33.01
14	A'	280	268	9.44
15	A"	3096	2965	16.67
16	A"	1242	1190	1.63
17	A"	1059	1014	1.85
18	A"	664	636	199.91
19	A"	521	499	9.90
20	A"	287	275	118.51
21	A"	58	56	32.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.617	-0.853	0.000
C2	0.000	0.517	0.000
O3	-0.929	1.514	0.000
O4	1.218	0.719	0.000
O5	0.392	-1.864	0.000
H6	-1.260	-0.953	0.884
H7	-1.260	-0.953	-0.884
H8	1.273	-1.432	0.000
H9	-0.502	2.397	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5029	2.3873	2.4166	1.4283	1.0974	1.0974	1.9775	3.2517
C2	1.5029		1.3621	1.2349	2.4130	2.1284	2.1284	2.3288	1.9454
O3	2.3873	1.3621		2.2896	3.6265	2.6411	2.6411	3.6783	0.9802
O4	2.4166	1.2349	2.2896		2.7112	3.1172	3.1172	2.1518	2.4036
O5	1.4283	2.4130	3.6265	2.7112		2.0832	2.0832	0.9812	4.3532
H6	1.0974	2.1284	2.6411	3.1172	2.0832		1.7679	2.7256	3.5460
H7	1.0974	2.1284	2.6411	3.1172	2.0832	1.7679		2.7256	3.5460
H8	1.9775	2.3288	3.6783	2.1518	0.9812	2.7256	2.7256		4.2209
H9	3.2517	1.9454	0.9802	2.4036	4.3532	3.5460	3.5460	4.2209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.771	C1	C2	O4	123.632
C1	O5	H8	108.895	C2	C1	O5	110.786
C2	C1	H6	108.871	C2	C1	H7	108.871
C2	O3	H9	111.258	O3	C2	O4	123.597
O5	C1	H6	110.453	O5	C1	H7	110.453
H6	C1	H7	107.318

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

using model chemistry: B3PW91/6-31G

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	-0.078
2	C	0.449
3	O	-0.556
4	O	-0.423
5	O	-0.623
6	H	0.212
7	H	0.212
8	H	0.396
9	H	0.411

	x	y	z	Total
	-1.184	2.413	0.000	2.688
CHELPG
AIM
ESP

	x	y	z
x	5.232	-0.188	0.000
y	-0.188	4.995	0.000
z	0.000	0.000	2.605

<r²>	113.115
(<r²>)^1/2	10.636

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

using model chemistry: B3PW91/6-31G

States and conformations

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