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	hartrees
Energy at 0K	-61.212875
Energy at 298.15K
HF Energy	-60.408410
Nuclear repulsion energy	99.618659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3726	3550	59.36
2	A'	3707	3532	76.08
3	A'	3086	2940	27.10
4	A'	1787	1703	261.48
5	A'	1536	1463	8.15
6	A'	1498	1427	8.57
7	A'	1361	1296	121.61
8	A'	1308	1246	35.84
9	A'	1189	1133	160.56
10	A'	1115	1062	234.13
11	A'	866	825	27.58
12	A'	639	609	18.99
13	A'	466	444	27.84
14	A'	277	264	7.58
15	A"	3139	2991	17.79
16	A"	1245	1187	0.87
17	A"	1056	1006	0.20
18	A"	647	616	149.90
19	A"	495	472	5.96
20	A"	245	233	71.41
21	A"	106i	101i	43.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.605	-0.874	0.000
C2	0.000	0.527	0.000
O3	-0.955	1.498	0.000
O4	1.206	0.752	0.000
O5	0.414	-1.867	0.000
H6	-1.240	-0.974	0.889
H7	-1.240	-0.974	-0.889
H8	1.265	-1.388	0.000
H9	-0.474	2.352	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5254	2.3970	2.4343	1.4234	1.0969	1.0969	1.9394	3.2280
C2	1.5254		1.3620	1.2272	2.4293	2.1401	2.1401	2.2945	1.8856
O3	2.3970	1.3620		2.2860	3.6328	2.6423	2.6423	3.6405	0.9802
O4	2.4343	1.2272	2.2860		2.7369	3.1235	3.1235	2.1412	2.3194
O5	1.4234	2.4293	3.6328	2.7369		2.0794	2.0794	0.9766	4.3113
H6	1.0969	2.1401	2.6423	3.1235	2.0794		1.7774	2.6900	3.5269
H7	1.0969	2.1401	2.6423	3.1235	2.0794	1.7774		2.6900	3.5269
H8	1.9394	2.2945	3.6405	2.1412	0.9766	2.6900	2.6900		4.1239
H9	3.2280	1.8856	0.9802	2.3194	4.3113	3.5269	3.5269	4.1239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.110	C1	C2	O4	123.987
C1	O5	H8	106.328	C2	C1	O5	110.896
C2	C1	H6	108.292	C2	C1	H7	108.292
C2	O3	H9	106.090	O3	C2	O4	123.903
O5	C1	H6	110.520	O5	C1	H7	110.520
H6	C1	H7	108.231

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

using model chemistry: MP2/CEP-121G*

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

using model chemistry: MP2/CEP-121G*

States and conformations

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