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	hartrees
Energy at 0K	-379.303579
Energy at 298.15K	-379.309604
HF Energy	-379.303579
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	236.506011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2977	2956	0.00
2	A_g	2643	2624	0.00
3	A_g	1616	1605	0.00
4	A_g	1462	1452	0.00
5	A_g	1353	1343	0.00
6	A_g	1241	1232	0.00
7	A_g	674	669	0.00
8	A_g	225	224	0.00
9	A_g	182	180	0.00
10	A_u	1105	1098	135.71
11	A_u	991	984	35.43
12	A_u	195	193	8.52
13	A_u	75	74	1.56
14	B_g	1058	1051	0.00
15	B_g	1000	993	0.00
16	B_g	277	275	0.00
17	B_u	2981	2960	1.30
18	B_u	2805	2786	3449.40
19	B_u	1718	1706	695.75
20	B_u	1434	1425	2.19
21	B_u	1358	1348	39.63
22	B_u	1244	1235	256.01
23	B_u	722	717	27.15
24	B_u	319	317	91.97

Atom	x (Å)	y (Å)
C1	1.871	-0.059
C2	-1.871	0.059
O3	1.303	1.035
O4	-1.303	-1.035
O5	1.303	-1.242
O6	-1.303	1.242
H7	2.973	-0.130
H8	-2.973	0.130
H9	-0.278	1.147
H10	0.278	-1.147

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7430	1.2326	3.3201	1.3123	3.4301	1.1051	4.8477	2.4642	1.9284
C2	3.7430		3.3201	1.2326	3.4301	1.3123	4.8477	1.1051	1.9284	2.4642
O3	1.2326	3.3201		3.3278	2.2773	2.6141	2.0366	4.3710	1.5851	2.4105
O4	3.3201	1.2326	3.3278		2.6141	2.2773	4.3710	2.0366	2.4105	1.5851
O5	1.3123	3.4301	2.2773	2.6141		3.6007	2.0070	4.4912	2.8652	1.0291
O6	3.4301	1.3123	2.6141	2.2773	3.6007		4.4912	2.0070	1.0291	2.8652
H7	1.1051	4.8477	2.0366	4.3710	2.0070	4.4912		5.9526	3.4935	2.8807
H8	4.8477	1.1051	4.3710	2.0366	4.4912	2.0070	5.9526		2.8807	3.4935
H9	2.4642	1.9284	1.5851	2.4105	2.8652	1.0291	3.4935	2.8807		2.3606
H10	1.9284	2.4642	2.4105	1.5851	1.0291	2.8652	2.8807	3.4935	2.3606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	121.478	C1	O5	H10	110.310
C2	O4	H10	121.478	C2	O6	H9	110.310
O3	C1	O5	126.948	O3	C1	H7	121.095
O3	H9	O6	178.736	O4	C2	O6	126.948
O4	C2	H8	121.095	O4	H10	O5	178.736
O5	C1	H7	111.956	O6	C2	H8	111.956

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

using model chemistry: PBEPBE/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	0.194
2	C	0.194
3	O	-0.306
4	O	-0.306
5	O	-0.217
6	O	-0.217
7	H	0.091
8	H	0.091
9	H	0.238
10	H	0.238

	x	y	z
x	8.193	-0.411	0.000
y	-0.411	6.752	0.000
z	0.000	0.000	3.645

<r²>	179.967
(<r²>)^1/2	13.415

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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