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	hartrees
Energy at 0K	-378.976752
Energy at 298.15K	-378.982645
HF Energy	-377.703741
Nuclear repulsion energy	235.947906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3325	3130	0.00
2	A_g	3128	2944	0.00
3	A_g	1770	1666	0.00
4	A_g	1507	1418	0.00
5	A_g	1438	1354	0.00
6	A_g	1275	1200	0.00
7	A_g	696	656	0.00
8	A_g	204	192	0.00
9	A_g	167	158	0.00
10	A_u	1125	1059	29.14
11	A_u	991	933	184.71
12	A_u	181	170	10.14
13	A_u	70	66	2.23
14	B_g	1111	1045	0.00
15	B_g	959	902	0.00
16	B_g	263	247	0.00
17	B_u	3419	3218	2014.73
18	B_u	3124	2941	181.44
19	B_u	1835	1727	778.17
20	B_u	1477	1391	0.81
21	B_u	1434	1350	45.91
22	B_u	1280	1204	357.44
23	B_u	724	681	49.23
24	B_u	267	251	61.97

Atom	x (Å)	y (Å)
C1	1.634	-0.984
C2	-1.634	0.984
O3	1.634	0.229
O4	-1.634	-0.229
O5	0.578	-1.760
O6	-0.578	1.760
H7	2.559	-1.563
H8	-2.559	1.563
H9	0.241	1.208
H10	-0.241	-1.208

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8140	1.2133	3.3531	1.3106	3.5241	1.0915	4.9054	2.5967	1.8878
C2	3.8140		3.3531	1.2133	3.5241	1.3106	4.9054	1.0915	1.8878	2.5967
O3	1.2133	3.3531		3.2992	2.2523	2.6893	2.0170	4.3994	1.7019	2.3620
O4	3.3531	1.2133	3.2992		2.6893	2.2523	4.3994	2.0170	2.3620	1.7019
O5	1.3106	3.5241	2.2523	2.6893		3.7050	1.9911	4.5695	2.9869	0.9875
O6	3.5241	1.3106	2.6893	2.2523	3.7050		4.5695	1.9911	0.9875	2.9869
H7	1.0915	4.9054	2.0170	4.3994	1.9911	4.5695		5.9968	3.6123	2.8223
H8	4.9054	1.0915	4.3994	2.0170	4.5695	1.9911	5.9968		2.8223	3.6123
H9	2.5967	1.8878	1.7019	2.3620	2.9869	0.9875	3.6123	2.8223		2.4630
H10	1.8878	2.5967	2.3620	1.7019	0.9875	2.9869	2.8223	3.6123	2.4630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	125.090	C1	O5	H10	109.668
C2	O4	H10	125.090	C2	O6	H9	109.668
O3	C1	O5	126.317	O3	C1	H7	122.036
O3	H9	O6	178.925	O4	C2	O6	126.317
O4	C2	H8	122.036	O4	H10	O5	178.925
O5	C1	H7	111.646	O6	C2	H8	111.646

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

using model chemistry: CCSD/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 C2H4O4 (Formic acid dimer)

using model chemistry: CCSD/cc-pVTZ

States and conformations

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