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	hartrees
Energy at 0K	-379.327454
Energy at 298.15K	-379.333518
HF Energy	-379.327454
Nuclear repulsion energy	238.104443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3078	2958	0.00
2	A_g	2976	2860	0.00
3	A_g	1722	1655	0.00
4	A_g	1505	1447	0.00
5	A_g	1412	1357	0.00
6	A_g	1294	1244	0.00
7	A_g	701	674	0.00
8	A_g	227	218	0.00
9	A_g	181	174	0.00
10	A_u	1120	1077	85.25
11	A_u	1028	988	112.96
12	A_u	193	185	9.95
13	A_u	75	72	2.15
14	B_g	1091	1048	0.00
15	B_g	1014	975	0.00
16	B_g	276	265	0.00
17	B_u	3129	3007	1723.63
18	B_u	3057	2938	1331.53
19	B_u	1811	1740	802.90
20	B_u	1468	1411	3.27
21	B_u	1414	1359	56.91
22	B_u	1295	1245	303.10
23	B_u	741	712	39.01
24	B_u	308	296	83.52

Atom	x (Å)	y (Å)
C1	1.577	-1.113
C2	-1.577	1.113
O3	1.577	0.093
O4	-1.577	-0.093
O5	0.519	-1.884
O6	-0.519	1.884
H7	2.502	-1.705
H8	-2.502	1.705
H9	0.294	1.332
H10	-0.294	-1.332

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8607	1.2066	3.3149	1.3095	3.6572	1.0981	4.9580	2.7608	1.8841
C2	3.8607		3.3149	1.2066	3.6572	1.3095	4.9580	1.0981	1.8841	2.7608
O3	1.2066	3.3149		3.1598	2.2430	2.7565	2.0226	4.3859	1.7829	2.3522
O4	3.3149	1.2066	3.1598		2.7565	2.2430	4.3859	2.0226	2.3522	1.7829
O5	1.3095	3.6572	2.2430	2.7565		3.9082	1.9912	4.6912	3.2235	0.9828
O6	3.6572	1.3095	2.7565	2.2430	3.9082		4.6912	1.9912	0.9828	3.2235
H7	1.0981	4.9580	2.0226	4.3859	1.9912	4.6912		6.0556	3.7545	2.8210
H8	4.9580	1.0981	4.3859	2.0226	4.6912	1.9912	6.0556		2.8210	3.7545
H9	2.7608	1.8841	1.7829	2.3522	3.2235	0.9828	3.7545	2.8210		2.7275
H10	1.8841	2.7608	2.3522	1.7829	0.9828	3.2235	2.8210	3.7545	2.7275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	133.984	C1	O5	H10	109.733
C2	O4	H10	133.984	C2	O6	H9	109.733
O3	C1	O5	126.066	O3	C1	H7	122.641
O3	H9	O6	170.217	O4	C2	O6	126.066
O4	C2	H8	122.641	O4	H10	O5	170.217
O5	C1	H7	111.293	O6	C2	H8	111.293

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	0.226
2	C	0.226
3	O	-0.344
4	O	-0.344
5	O	-0.240
6	O	-0.240
7	H	0.103
8	H	0.103
9	H	0.254
10	H	0.254

	x	y	z
x	6.909	-0.684	0.000
y	-0.684	7.001	0.000
z	0.000	0.000	3.537

<r²>	178.968
(<r²>)^1/2	13.378

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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