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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

Geometric Data calculated at CCSD(T)=FULL/aug-cc-pVDZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-0.600	-0.871	0.000
C2	0.000	0.526	0.000
O3	-0.951	1.495	0.000
O4	1.200	0.747	0.000
O5	0.415	-1.861	0.000
H6	-1.244	-0.970	0.894
H7	-1.244	-0.970	-0.894
H8	1.261	-1.382	0.000
H9	-0.482	2.347	0.000

Atom - Atom Distances (Å)

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5204	2.3918	2.4207	1.4177	1.1064	1.1064	1.9302	3.2204
C2	1.5204		1.3579	1.2203	2.4221	2.1414	2.1414	2.2868	1.8842
O3	2.3918	1.3579		2.2776	3.6228	2.6386	2.6386	3.6290	0.9729
O4	2.4207	1.2203	2.2776		2.7231	3.1181	3.1181	2.1298	2.3218
O5	1.4177	2.4221	3.6228	2.7231		2.0844	2.0844	0.9720	4.3023
H6	1.1064	2.1414	2.6386	3.1181	2.0844		1.7889	2.6916	3.5194
H7	1.1064	2.1414	2.6386	3.1181	2.0844	1.7889		2.6916	3.5194
H8	1.9302	2.2868	3.6290	2.1298	0.9720	2.6916	2.6916		4.1164
H9	3.2204	1.8842	0.9729	2.3218	4.3023	3.5194	3.5194	4.1164

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	112.275		C1	C2	O4	123.704
C1	O5	H8	106.245		C2	C1	O5	111.000
C2	C1	H6	108.183		C2	C1	H7	108.183
C2	O3	H9	106.710		O3	C2	O4	124.022
O5	C1	H6	110.737		O5	C1	H7	110.737
H6	C1	H7	107.885