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	hartrees
Energy at 0K	-379.407146
Energy at 298.15K	-379.413101
HF Energy	-379.407146
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3020	3020	0.00
2	A_g	2794	2794	0.00
3	A_g	1625	1625	0.00
4	A_g	1464	1464	0.00
5	A_g	1357	1357	0.00
6	A_g	1225	1225	0.00
7	A_g	667	667	0.00
8	A_g	222	222	0.00
9	A_g	183	183	0.00
10	A_u	1099	1099	107.91
11	A_u	988	988	54.07
12	A_u	186	186	9.31
13	A_u	70	70	1.96
14	B_g	1054	1054	0.00
15	B_g	994	994	0.00
16	B_g	265	265	0.00
17	B_u	3028	3028	49.40
18	B_u	2923	2923	3129.19
19	B_u	1710	1710	739.11
20	B_u	1436	1436	0.24
21	B_u	1358	1358	34.57
22	B_u	1229	1229	278.82
23	B_u	710	710	29.28
24	B_u	304	304	82.69

Atom	x (Å)	y (Å)
C1	1.643	-0.930
C2	-1.643	0.930
O3	1.643	0.304
O4	-1.643	-0.304
O5	0.584	-1.718
O6	-0.584	1.718
H7	2.586	-1.508
H8	-2.586	1.508
H9	0.268	1.162
H10	-0.268	-1.162

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7754	1.2343	3.3443	1.3195	3.4604	1.1061	4.8810	2.5032	1.9247
C2	3.7754		3.3443	1.2343	3.4604	1.3195	4.8810	1.1061	1.9247	2.5032
O3	1.2343	3.3443		3.3411	2.2826	2.6382	2.0427	4.3966	1.6202	2.4083
O4	3.3443	1.2343	3.3411		2.6382	2.2826	4.3966	2.0427	2.4083	1.6202
O5	1.3195	3.4604	2.2826	2.6382		3.6301	2.0126	4.5232	2.8976	1.0181
O6	3.4604	1.3195	2.6382	2.2826	3.6301		4.5232	2.0126	1.0181	2.8976
H7	1.1061	4.8810	2.0427	4.3966	2.0126	4.5232		5.9868	3.5354	2.8750
H8	4.8810	1.1061	4.3966	2.0427	4.5232	2.0126	5.9868		2.8750	3.5354
H9	2.5032	1.9247	1.6202	2.4083	2.8976	1.0181	3.5354	2.8750		2.3849
H10	1.9247	2.5032	2.4083	1.6202	1.0181	2.8976	2.8750	3.5354	2.3849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	121.966	C1	O5	H10	110.185
C2	O4	H10	121.966	C2	O6	H9	110.185
O3	C1	O5	126.682	O3	C1	H7	121.470
O3	H9	O6	178.834	O4	C2	O6	126.682
O4	C2	H8	121.470	O4	H10	O5	178.834
O5	C1	H7	111.847	O6	C2	H8	111.847

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

using model chemistry: B97D3/aug-cc-pVDZ

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	0.814
2	C	0.814
3	O	-0.450
4	O	-0.450
5	O	-0.259
6	O	-0.259
7	H	-0.355
8	H	-0.355
9	H	0.251
10	H	0.251

	x	y	z
x	8.166	-0.625	0.000
y	-0.625	8.236	0.000
z	0.000	0.000	4.531

<r²>	182.337
(<r²>)^1/2	13.503

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

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

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