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	hartrees
Energy at 0K	-379.287855
Energy at 298.15K	-379.293886
HF Energy	-379.287855
Nuclear repulsion energy	237.559868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3091	2969	0.00
2	A_g	3072	2951	0.00
3	A_g	1742	1673	0.00
4	A_g	1501	1442	0.00
5	A_g	1413	1357	0.00
6	A_g	1295	1244	0.00
7	A_g	700	672	0.00
8	A_g	219	211	0.00
9	A_g	178	171	0.00
10	A_u	1121	1076	89.88
11	A_u	1021	981	155.57
12	A_u	192	184	8.97
13	A_u	77	74	2.19
14	B_g	1092	1049	0.00
15	B_g	1004	964	0.00
16	B_g	281	270	0.00
17	B_u	3205	3078	2255.55
18	B_u	3079	2957	568.25
19	B_u	1824	1752	831.12
20	B_u	1466	1408	2.79
21	B_u	1415	1359	55.32
22	B_u	1295	1244	321.86
23	B_u	735	705	45.41
24	B_u	295	284	74.77

Atom	x (Å)	y (Å)
C1	1.573	-1.116
C2	-1.573	1.116
O3	1.573	0.092
O4	-1.573	-0.092
O5	0.516	-1.890
O6	-0.516	1.890
H7	2.498	-1.709
H8	-2.498	1.709
H9	0.296	1.338
H10	-0.296	-1.338

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8571	1.2077	3.3082	1.3099	3.6606	1.0993	4.9555	2.7658	1.8824
C2	3.8571		3.3082	1.2077	3.6606	1.3099	4.9555	1.0993	1.8824	2.7658
O3	1.2077	3.3082		3.1510	2.2459	2.7564	2.0249	4.3807	1.7836	2.3531
O4	3.3082	1.2077	3.1510		2.7564	2.2459	4.3807	2.0249	2.3531	1.7836
O5	1.3099	3.6606	2.2459	2.7564		3.9185	1.9904	4.6949	3.2352	0.9826
O6	3.6606	1.3099	2.7564	2.2459	3.9185		4.6949	1.9904	0.9826	3.2352
H7	1.0993	4.9555	2.0249	4.3807	1.9904	4.6949		6.0542	3.7593	2.8194
H8	4.9555	1.0993	4.3807	2.0249	4.6949	1.9904	6.0542		2.8194	3.7593
H9	2.7658	1.8824	1.7836	2.3531	3.2352	0.9826	3.7593	2.8194		2.7402
H10	1.8824	2.7658	2.3531	1.7836	0.9826	3.2352	2.8194	3.7593	2.7402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.310	C1	O5	H10	109.565
C2	O4	H10	134.310	C2	O6	H9	109.565
O3	C1	O5	126.221	O3	C1	H7	122.667
O3	H9	O6	169.904	O4	C2	O6	126.221
O4	C2	H8	122.667	O4	H10	O5	169.904
O5	C1	H7	111.112	O6	C2	H8	111.112

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

using model chemistry: HSEh1PBE/6-311G**

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	0.275
2	C	0.275
3	O	-0.403
4	O	-0.403
5	O	-0.287
6	O	-0.287
7	H	0.121
8	H	0.121
9	H	0.294
10	H	0.294

	x	y	z
x	6.253	-0.686	0.000
y	-0.686	6.569	0.000
z	0.000	0.000	2.870

<r²>	180.213
(<r²>)^1/2	13.424

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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