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	hartrees
Energy at 0K	-379.107383
Energy at 298.15K
HF Energy	-377.731676
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	236.362492

Atom	x (Å)	y (Å)
C1	1.575	-1.124
C2	-1.575	1.124
O3	1.575	0.087
O4	-1.575	-0.087
O5	0.511	-1.897
O6	-0.511	1.897
H7	2.493	-1.717
H8	-2.493	1.717
H9	0.296	1.338
H10	-0.296	-1.338

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8702	1.2117	3.3161	1.3145	3.6718	1.0930	4.9623	2.7749	1.8827
C2	3.8702		3.3161	1.2117	3.6718	1.3145	4.9623	1.0930	1.8827	2.7749
O3	1.2117	3.3161		3.1546	2.2513	2.7619	2.0246	4.3825	1.7891	2.3517
O4	3.3161	1.2117	3.1546		2.7619	2.2513	4.3825	2.0246	2.3517	1.7891
O5	1.3145	3.6718	2.2513	2.7619		3.9295	1.9901	4.7000	3.2423	0.9818
O6	3.6718	1.3145	2.7619	2.2513	3.9295		4.7000	1.9901	0.9818	3.2423
H7	1.0930	4.9623	2.0246	4.3825	1.9901	4.7000		6.0547	3.7634	2.8146
H8	4.9623	1.0930	4.3825	2.0246	4.7000	1.9901	6.0547		2.8146	3.7634
H9	2.7749	1.8827	1.7891	2.3517	3.2423	0.9818	3.7634	2.8146		2.7406
H10	1.8827	2.7749	2.3517	1.7891	0.9818	3.2423	2.8146	3.7634	2.7406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.355	C1	O5	H10	109.294
C2	O4	H10	134.355	C2	O6	H9	109.294
O3	C1	O5	125.998	O3	C1	H7	122.826
O3	H9	O6	170.352	O4	C2	O6	125.998
O4	C2	H8	122.826	O4	H10	O5	170.352
O5	C1	H7	111.176	O6	C2	H8	111.176

All results from a given calculation for C₂H₄O₄ (Formic acid dimer)

using model chemistry: MP2/aug-cc-pVQZ

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 C2H4O4 (Formic acid dimer)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₄O₄ (Formic acid dimer)