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	hartrees
Energy at 0K	-301.501082
Energy at 298.15K	-301.506651
HF Energy	-300.956867
Nuclear repulsion energy	176.314850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3504	3345	29.90
2	A'	3478	3320	25.74
3	A'	3092	2952	16.08
4	A'	1730	1651	104.77
5	A'	1607	1534	10.47
6	A'	1498	1429	53.89
7	A'	1392	1329	92.43
8	A'	1345	1284	29.56
9	A'	1120	1069	208.41
10	A'	1034	987	137.04
11	A'	837	799	32.89
12	A'	640	611	17.34
13	A'	465	444	29.88
14	A'	279	266	7.86
15	A"	3126	2984	22.73
16	A"	1252	1195	2.23
17	A"	1103	1053	0.31
18	A"	656	626	178.44
19	A"	524	500	12.21
20	A"	324	309	89.75
21	A"	71	67	22.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.628	-0.867	0.000
C2	0.000	0.521	0.000
O3	-0.960	1.512	0.000
O4	1.224	0.730	0.000
O5	0.427	-1.874	0.000
H6	-1.264	-0.958	0.888
H7	-1.264	-0.958	-0.888
H8	1.279	-1.358	0.000
H9	-0.506	2.399	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5236	2.4024	2.4450	1.4578	1.0956	1.0956	1.9689	3.2686
C2	1.5236		1.3797	1.2412	2.4326	2.1382	2.1382	2.2732	1.9452
O3	2.4024	1.3797		2.3194	3.6588	2.6421	2.6421	3.6403	0.9963
O4	2.4450	1.2412	2.3194		2.7229	3.1341	3.1341	2.0888	2.4041
O5	1.4578	2.4326	3.6588	2.7229		2.1175	2.1175	0.9961	4.3737
H6	1.0956	2.1382	2.6421	3.1341	2.1175		1.7750	2.7227	3.5540
H7	1.0956	2.1382	2.6421	3.1341	2.1175	1.7750		2.7227	3.5540
H8	1.9689	2.2732	3.6403	2.0888	0.9961	2.7227	2.7227		4.1601
H9	3.2686	1.9452	0.9963	2.4041	4.3737	3.5540	3.5540	4.1601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.580	C1	C2	O4	124.019
C1	O5	H8	105.159	C2	C1	O5	109.338
C2	C1	H6	108.335	C2	C1	H7	108.335
C2	O3	H9	108.840	O3	C2	O4	124.401
O5	C1	H6	111.265	O5	C1	H7	111.265
H6	C1	H7	108.210

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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