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	hartrees
Energy at 0K	-303.833643
Energy at 298.15K
HF Energy	-302.784434
Nuclear repulsion energy	180.429064

Atom	x (Å)	y (Å)	z (Å)
C1	-0.596	-0.865	0.000
C2	0.000	0.521	0.000
O3	-0.935	1.481	0.000
O4	1.186	0.736	0.000
O5	0.408	-1.841	0.000
H6	-1.236	-0.957	0.881
H7	-1.236	-0.957	-0.881
H8	1.243	-1.362	0.000
H9	-0.467	2.325	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5087	2.3706	2.3957	1.4001	1.0927	1.0927	1.9050	3.1925
C2	1.5087		1.3402	1.2055	2.3972	2.1183	2.1183	2.2564	1.8633
O3	2.3706	1.3402		2.2481	3.5835	2.6098	2.6098	3.5817	0.9648
O4	2.3957	1.2055	2.2481		2.6924	3.0835	3.0835	2.0991	2.2926
O5	1.4001	2.3972	3.5835	2.6924		2.0637	2.0637	0.9631	4.2569
H6	1.0927	2.1183	2.6098	3.0835	2.0637		1.7623	2.6617	3.4839
H7	1.0927	2.1183	2.6098	3.0835	2.0637	1.7623		2.6617	3.4839
H8	1.9050	2.2564	3.5817	2.0991	0.9631	2.6617	2.6617		4.0642
H9	3.1925	1.8633	0.9648	2.2926	4.2569	3.4839	3.4839	4.0642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.500	C1	C2	O4	123.549
C1	O5	H8	105.957	C2	C1	O5	110.943
C2	C1	H6	107.966	C2	C1	H7	107.966
C2	O3	H9	106.737	O3	C2	O4	123.951
O5	C1	H6	111.162	O5	C1	H7	111.162
H6	C1	H7	107.486

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

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

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